----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:43:34]------------------------- 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: [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.753063821471640 0.000000000000000 0.000000000000000 b 0.000000000000000 8.709608080000001 0.000000000000000 c -2.818376589872337 0.000000000000000 7.163748886735408 Atomic positions (fractional): *1 Na 0.75477732648349 0.53243807545927 0.99861699152576 22.990 *2 Na 0.74167960561053 0.96995570628361 0.87462833356347 22.990 *3 Na 0.23860384014764 0.78427278628882 0.81107557499180 22.990 4 Na 0.25832039438948 0.46995570628361 0.62537166643653 22.990 5 Na 0.76139615985236 0.28427278628882 0.68892442500820 22.990 6 Na 0.24522267351651 0.03243807545926 0.50138300847424 22.990 7 Na 0.75477732648349 0.96756192454073 0.49861699152576 22.990 8 Na 0.23860384014764 0.71572721371118 0.31107557499180 22.990 9 Na 0.74167960561053 0.53004429371639 0.37462833356347 22.990 10 Na 0.76139615985236 0.21572721371119 0.18892442500820 22.990 11 Na 0.25832039438948 0.03004429371639 0.12537166643653 22.990 12 Na 0.24522267351651 0.46756192454073 0.00138300847424 22.990 *13 Cu 0.29533485897029 0.17872491329440 0.82834188092642 63.546 14 Cu 0.70466514102971 0.67872491329440 0.67165811907358 63.546 15 Cu 0.29533485897029 0.32127508670560 0.32834188092642 63.546 16 Cu 0.70466514102971 0.82127508670560 0.17165811907358 63.546 *17 O 0.52879888304510 0.32326272183944 0.88424485087772 15.999 *18 O 0.05672112002139 0.03615692861092 0.77825501876679 15.999 19 O 0.47120111695490 0.82326272183944 0.61575514912228 15.999 20 O 0.94327887997861 0.53615692861092 0.72174498123321 15.999 21 O 0.05672112002139 0.46384307138908 0.27825501876679 15.999 22 O 0.52879888304510 0.17673727816056 0.38424485087772 15.999 23 O 0.94327887997861 0.96384307138908 0.22174498123321 15.999 24 O 0.47120111695490 0.67673727816056 0.11575514912228 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.753063821471640 0.000000000000000 0.000000000000000 b 0.000000000000000 8.709608080000001 0.000000000000000 c -2.818376589872337 0.000000000000000 7.163748886735408 Atomic positions (fractional): *1 Na 0.75477732648349 0.53243807545927 0.99861699152576 22.990 > 1 *2 Na 0.74167960561053 0.96995570628361 0.87462833356347 22.990 > 2 *3 Na 0.23860384014764 0.78427278628882 0.81107557499180 22.990 > 3 4 Na 0.25832039438948 0.46995570628361 0.62537166643653 22.990 > 4 5 Na 0.76139615985236 0.28427278628882 0.68892442500820 22.990 > 5 6 Na 0.24522267351651 0.03243807545926 0.50138300847424 22.990 > 6 7 Na 0.75477732648349 0.96756192454073 0.49861699152576 22.990 > 7 8 Na 0.23860384014764 0.71572721371118 0.31107557499180 22.990 > 8 9 Na 0.74167960561053 0.53004429371639 0.37462833356347 22.990 > 9 10 Na 0.76139615985236 0.21572721371119 0.18892442500820 22.990 > 10 11 Na 0.25832039438948 0.03004429371639 0.12537166643653 22.990 > 11 12 Na 0.24522267351651 0.46756192454073 0.00138300847424 22.990 > 12 *13 Cu 0.29533485897029 0.17872491329440 0.82834188092642 63.546 > 13 14 Cu 0.70466514102971 0.67872491329440 0.67165811907358 63.546 > 14 15 Cu 0.29533485897029 0.32127508670560 0.32834188092642 63.546 > 15 16 Cu 0.70466514102971 0.82127508670560 0.17165811907358 63.546 > 16 *17 O 0.52879888304510 0.32326272183944 0.88424485087772 15.999 > 17 *18 O 0.05672112002139 0.03615692861092 0.77825501876679 15.999 > 18 19 O 0.47120111695490 0.82326272183944 0.61575514912228 15.999 > 19 20 O 0.94327887997861 0.53615692861092 0.72174498123321 15.999 > 20 21 O 0.05672112002139 0.46384307138908 0.27825501876679 15.999 > 21 22 O 0.52879888304510 0.17673727816056 0.38424485087772 15.999 > 22 23 O 0.94327887997861 0.96384307138908 0.22174498123321 15.999 > 23 24 O 0.47120111695490 0.67673727816056 0.11575514912228 15.999 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.506127642943280 0.000000000000000 0.000000000000000 b 0.000000000000000 8.709608080000001 0.000000000000000 c -5.636753179744674 0.000000000000000 14.327497773470816 Atomic positions (fractional): *1 Na 0.37738866324175 0.53243807545927 0.49930849576288 22.990 > 1 2 Na 0.87738866324175 0.53243807545927 0.49930849576288 22.990 > 1 3 Na 0.37738866324175 0.53243807545927 0.99930849576288 22.990 > 1 4 Na 0.87738866324175 0.53243807545927 0.99930849576288 22.990 > 1 *5 Na 0.37083980280526 0.96995570628361 0.43731416678173 22.990 > 2 6 Na 0.87083980280526 0.96995570628361 0.43731416678173 22.990 > 2 7 Na 0.37083980280526 0.96995570628361 0.93731416678173 22.990 > 2 8 Na 0.87083980280526 0.96995570628361 0.93731416678173 22.990 > 2 *9 Na 0.11930192007382 0.78427278628882 0.40553778749590 22.990 > 3 10 Na 0.61930192007382 0.78427278628882 0.40553778749590 22.990 > 3 11 Na 0.11930192007382 0.78427278628882 0.90553778749590 22.990 > 3 12 Na 0.61930192007382 0.78427278628882 0.90553778749590 22.990 > 3 13 Na 0.12916019719474 0.46995570628361 0.31268583321827 22.990 > 4 14 Na 0.62916019719474 0.46995570628361 0.31268583321827 22.990 > 4 15 Na 0.12916019719474 0.46995570628361 0.81268583321827 22.990 > 4 16 Na 0.62916019719474 0.46995570628361 0.81268583321827 22.990 > 4 17 Na 0.38069807992618 0.28427278628882 0.34446221250410 22.990 > 5 18 Na 0.88069807992618 0.28427278628882 0.34446221250410 22.990 > 5 19 Na 0.38069807992618 0.28427278628882 0.84446221250410 22.990 > 5 20 Na 0.88069807992618 0.28427278628882 0.84446221250410 22.990 > 5 21 Na 0.12261133675825 0.03243807545926 0.25069150423712 22.990 > 6 22 Na 0.62261133675825 0.03243807545926 0.25069150423712 22.990 > 6 23 Na 0.12261133675825 0.03243807545926 0.75069150423712 22.990 > 6 24 Na 0.62261133675825 0.03243807545926 0.75069150423712 22.990 > 6 25 Na 0.37738866324175 0.96756192454073 0.24930849576288 22.990 > 7 26 Na 0.87738866324175 0.96756192454073 0.24930849576288 22.990 > 7 27 Na 0.37738866324175 0.96756192454073 0.74930849576288 22.990 > 7 28 Na 0.87738866324175 0.96756192454073 0.74930849576288 22.990 > 7 29 Na 0.11930192007382 0.71572721371118 0.15553778749590 22.990 > 8 30 Na 0.61930192007382 0.71572721371118 0.15553778749590 22.990 > 8 31 Na 0.11930192007382 0.71572721371118 0.65553778749590 22.990 > 8 32 Na 0.61930192007382 0.71572721371118 0.65553778749590 22.990 > 8 33 Na 0.37083980280526 0.53004429371639 0.18731416678173 22.990 > 9 34 Na 0.87083980280526 0.53004429371639 0.18731416678173 22.990 > 9 35 Na 0.37083980280526 0.53004429371639 0.68731416678173 22.990 > 9 36 Na 0.87083980280526 0.53004429371639 0.68731416678173 22.990 > 9 37 Na 0.38069807992618 0.21572721371119 0.09446221250410 22.990 > 10 38 Na 0.88069807992618 0.21572721371119 0.09446221250410 22.990 > 10 39 Na 0.38069807992618 0.21572721371119 0.59446221250410 22.990 > 10 40 Na 0.88069807992618 0.21572721371119 0.59446221250410 22.990 > 10 41 Na 0.12916019719474 0.03004429371639 0.06268583321827 22.990 > 11 42 Na 0.62916019719474 0.03004429371639 0.06268583321827 22.990 > 11 43 Na 0.12916019719474 0.03004429371639 0.56268583321827 22.990 > 11 44 Na 0.62916019719474 0.03004429371639 0.56268583321827 22.990 > 11 45 Na 0.12261133675825 0.46756192454073 0.00069150423712 22.990 > 12 46 Na 0.62261133675825 0.46756192454073 0.00069150423712 22.990 > 12 47 Na 0.12261133675825 0.46756192454073 0.50069150423712 22.990 > 12 48 Na 0.62261133675825 0.46756192454073 0.50069150423712 22.990 > 12 *49 Cu 0.14766742948514 0.17872491329440 0.41417094046321 63.546 > 13 50 Cu 0.64766742948514 0.17872491329440 0.41417094046321 63.546 > 13 51 Cu 0.14766742948514 0.17872491329440 0.91417094046321 63.546 > 13 52 Cu 0.64766742948514 0.17872491329440 0.91417094046321 63.546 > 13 53 Cu 0.35233257051486 0.67872491329440 0.33582905953679 63.546 > 14 54 Cu 0.85233257051486 0.67872491329440 0.33582905953679 63.546 > 14 55 Cu 0.35233257051486 0.67872491329440 0.83582905953679 63.546 > 14 56 Cu 0.85233257051486 0.67872491329440 0.83582905953679 63.546 > 14 57 Cu 0.14766742948514 0.32127508670560 0.16417094046321 63.546 > 15 58 Cu 0.64766742948514 0.32127508670560 0.16417094046321 63.546 > 15 59 Cu 0.14766742948514 0.32127508670560 0.66417094046321 63.546 > 15 60 Cu 0.64766742948514 0.32127508670560 0.66417094046321 63.546 > 15 61 Cu 0.35233257051486 0.82127508670560 0.08582905953679 63.546 > 16 62 Cu 0.85233257051486 0.82127508670560 0.08582905953679 63.546 > 16 63 Cu 0.35233257051486 0.82127508670560 0.58582905953679 63.546 > 16 64 Cu 0.85233257051486 0.82127508670560 0.58582905953679 63.546 > 16 *65 O 0.26439944152255 0.32326272183944 0.44212242543886 15.999 > 17 66 O 0.76439944152255 0.32326272183944 0.44212242543886 15.999 > 17 67 O 0.26439944152255 0.32326272183944 0.94212242543886 15.999 > 17 68 O 0.76439944152255 0.32326272183944 0.94212242543886 15.999 > 17 *69 O 0.02836056001070 0.03615692861092 0.38912750938340 15.999 > 18 70 O 0.52836056001070 0.03615692861092 0.38912750938340 15.999 > 18 71 O 0.02836056001070 0.03615692861092 0.88912750938340 15.999 > 18 72 O 0.52836056001070 0.03615692861092 0.88912750938340 15.999 > 18 73 O 0.23560055847745 0.82326272183944 0.30787757456114 15.999 > 19 74 O 0.73560055847745 0.82326272183944 0.30787757456114 15.999 > 19 75 O 0.23560055847745 0.82326272183944 0.80787757456114 15.999 > 19 76 O 0.73560055847745 0.82326272183944 0.80787757456114 15.999 > 19 77 O 0.47163943998930 0.53615692861092 0.36087249061660 15.999 > 20 78 O 0.97163943998930 0.53615692861092 0.36087249061660 15.999 > 20 79 O 0.47163943998930 0.53615692861092 0.86087249061660 15.999 > 20 80 O 0.97163943998930 0.53615692861092 0.86087249061660 15.999 > 20 81 O 0.02836056001070 0.46384307138908 0.13912750938340 15.999 > 21 82 O 0.52836056001070 0.46384307138908 0.13912750938340 15.999 > 21 83 O 0.02836056001070 0.46384307138908 0.63912750938340 15.999 > 21 84 O 0.52836056001070 0.46384307138908 0.63912750938340 15.999 > 21 85 O 0.26439944152255 0.17673727816056 0.19212242543886 15.999 > 22 86 O 0.76439944152255 0.17673727816056 0.19212242543886 15.999 > 22 87 O 0.26439944152255 0.17673727816056 0.69212242543886 15.999 > 22 88 O 0.76439944152255 0.17673727816056 0.69212242543886 15.999 > 22 89 O 0.47163943998930 0.96384307138908 0.11087249061660 15.999 > 23 90 O 0.97163943998930 0.96384307138908 0.11087249061660 15.999 > 23 91 O 0.47163943998930 0.96384307138908 0.61087249061660 15.999 > 23 92 O 0.97163943998930 0.96384307138908 0.61087249061660 15.999 > 23 93 O 0.23560055847745 0.67673727816056 0.05787757456114 15.999 > 24 94 O 0.73560055847745 0.67673727816056 0.05787757456114 15.999 > 24 95 O 0.23560055847745 0.67673727816056 0.55787757456114 15.999 > 24 96 O 0.73560055847745 0.67673727816056 0.55787757456114 15.999 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4907314 0.0000000 -0.0013383 0.0000000 3.6500810 0.0000000 -0.0013380 0.0000000 3.4878516 -------------------------- Born effective charges -------------------------- 1 Na 0.9238888 0.0135881 0.0188416 -0.0301102 1.0722859 -0.0121886 -0.0451467 0.0207657 1.0725498 2 Na 1.0336534 -0.0324170 -0.0972573 0.0159417 1.0508935 -0.0231794 -0.0537901 0.0047566 1.0123229 3 Na 1.1096653 0.0773094 0.0773489 0.0106732 0.9888392 0.0417104 0.0970443 0.0284656 0.9757547 4 Na 1.0336534 0.0324170 -0.0972573 -0.0159417 1.0508935 0.0231794 -0.0537901 -0.0047566 1.0123229 5 Na 1.1096653 -0.0773094 0.0773489 -0.0106732 0.9888392 -0.0417104 0.0970443 -0.0284656 0.9757547 6 Na 0.9238888 -0.0135881 0.0188416 0.0301102 1.0722859 0.0121886 -0.0451467 -0.0207657 1.0725498 7 Na 0.9238888 -0.0135881 0.0188416 0.0301102 1.0722859 0.0121886 -0.0451467 -0.0207657 1.0725498 8 Na 1.1096653 -0.0773094 0.0773489 -0.0106732 0.9888392 -0.0417104 0.0970443 -0.0284656 0.9757547 9 Na 1.0336534 0.0324170 -0.0972573 -0.0159417 1.0508935 0.0231794 -0.0537901 -0.0047566 1.0123229 10 Na 1.1096653 0.0773094 0.0773489 0.0106732 0.9888392 0.0417104 0.0970443 0.0284656 0.9757547 11 Na 1.0336534 -0.0324170 -0.0972573 0.0159417 1.0508935 -0.0231794 -0.0537901 0.0047566 1.0123229 12 Na 0.9238888 0.0135881 0.0188416 -0.0301102 1.0722859 -0.0121886 -0.0451467 0.0207657 1.0725498 13 Cu 0.3584275 1.0734615 0.3396849 1.1807708 0.4490125 0.4172943 0.3262803 0.3609062 -0.6070641 14 Cu 0.3584275 -1.0734615 0.3396849 -1.1807708 0.4490125 -0.4172943 0.3262803 -0.3609062 -0.6070641 15 Cu 0.3584275 -1.0734615 0.3396849 -1.1807708 0.4490125 -0.4172943 0.3262803 -0.3609062 -0.6070641 16 Cu 0.3584275 1.0734615 0.3396849 1.1807708 0.4490125 0.4172943 0.3262803 0.3609062 -0.6070641 17 O -1.6017398 -0.6134586 -0.1294321 -0.5909633 -1.8053557 -0.1885037 -0.1038569 -0.1795371 -1.2747084 18 O -1.8238952 -0.5938231 -0.2091861 -0.6375902 -1.7556753 -0.1878453 -0.2205310 -0.1813817 -1.1788550 19 O -1.6017398 0.6134586 -0.1294321 0.5909633 -1.8053557 0.1885037 -0.1038569 0.1795371 -1.2747084 20 O -1.8238952 0.5938231 -0.2091861 0.6375902 -1.7556753 0.1878453 -0.2205310 0.1813817 -1.1788550 21 O -1.8238952 0.5938231 -0.2091861 0.6375902 -1.7556753 0.1878453 -0.2205310 0.1813817 -1.1788550 22 O -1.6017398 0.6134586 -0.1294321 0.5909633 -1.8053557 0.1885037 -0.1038569 0.1795371 -1.2747084 23 O -1.8238952 -0.5938231 -0.2091861 -0.6375902 -1.7556753 -0.1878453 -0.2205310 -0.1813817 -1.1788550 24 O -1.6017398 -0.6134586 -0.1294321 -0.5909633 -1.8053557 -0.1885037 -0.1038569 -0.1795371 -1.2747084 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 65 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 65 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 23), data: (576, 35) @ (35, 23) |-- (76, 65), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 23), data: (576, 35) @ (35, 23) |-- (76, 65), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.658 Solver_block: 200 / 720 - Time: 0.576 Solver_block: 300 / 720 - Time: 0.580 Solver_block: 400 / 720 - Time: 0.579 Solver_block: 500 / 720 - Time: 0.580 Solver_block: 600 / 720 - Time: 0.581 Solver_block: 700 / 720 - Time: 0.573 Solver_block: 720 / 720 - Time: 0.213 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.445 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 288/288 Permutation basis: 10656/10656 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2700 Number of blocks in projector: 2700 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 65 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 239 eigenvectors found. (2) Block: 500 / 576 (2) 241 eigenvectors found. (2) Block: 576 / 576 (2) 71 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 565 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 65 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 324 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 324 Use standard eigh solver. Tree of FC basis block matrices: - (2700, 2647), data: False |-- (324, 318), data: True |-- (324, 318), data: True |-- (324, 318), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 23), data: (576, 35) @ (35, 23) |-- (76, 65), data: True |-- (250, 238), data: True |-- (250, 238), data: True |-- (576, 565), data: False |-- (576, 565), data: False |-- (576, 14), data: (576, 25) @ (25, 14) |-- (76, 71), data: True |-- (250, 241), data: True |-- (250, 239), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 23), data: (576, 35) @ (35, 23) |-- (76, 65), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 23:44:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:44:05]------------------------- 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): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.753063821471640 0.000000000000000 0.000000000000000 b 0.000000000000000 8.709608080000001 0.000000000000000 c -2.818376589872337 0.000000000000000 7.163748886735408 Atomic positions (fractional): 1 Na 0.75477732648349 0.53243807545927 0.99861699152576 22.990 2 Na 0.74167960561053 0.96995570628361 0.87462833356347 22.990 3 Na 0.23860384014764 0.78427278628882 0.81107557499180 22.990 4 Na 0.25832039438948 0.46995570628361 0.62537166643653 22.990 5 Na 0.76139615985236 0.28427278628882 0.68892442500820 22.990 6 Na 0.24522267351651 0.03243807545926 0.50138300847424 22.990 7 Na 0.75477732648349 0.96756192454073 0.49861699152576 22.990 8 Na 0.23860384014764 0.71572721371118 0.31107557499180 22.990 9 Na 0.74167960561053 0.53004429371639 0.37462833356347 22.990 10 Na 0.76139615985236 0.21572721371119 0.18892442500820 22.990 11 Na 0.25832039438948 0.03004429371639 0.12537166643653 22.990 12 Na 0.24522267351651 0.46756192454073 0.00138300847424 22.990 13 Cu 0.29533485897029 0.17872491329440 0.82834188092642 63.546 14 Cu 0.70466514102971 0.67872491329440 0.67165811907358 63.546 15 Cu 0.29533485897029 0.32127508670560 0.32834188092642 63.546 16 Cu 0.70466514102971 0.82127508670560 0.17165811907358 63.546 17 O 0.52879888304510 0.32326272183944 0.88424485087772 15.999 18 O 0.05672112002139 0.03615692861092 0.77825501876679 15.999 19 O 0.47120111695490 0.82326272183944 0.61575514912228 15.999 20 O 0.94327887997861 0.53615692861092 0.72174498123321 15.999 21 O 0.05672112002139 0.46384307138908 0.27825501876679 15.999 22 O 0.52879888304510 0.17673727816056 0.38424485087772 15.999 23 O 0.94327887997861 0.96384307138908 0.22174498123321 15.999 24 O 0.47120111695490 0.67673727816056 0.11575514912228 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.506127642943280 0.000000000000000 0.000000000000000 b 0.000000000000000 8.709608080000001 0.000000000000000 c -5.636753179744674 0.000000000000000 14.327497773470816 Atomic positions (fractional): 1 Na 0.37738866324175 0.53243807545927 0.49930849576288 22.990 > 1 2 Na 0.87738866324175 0.53243807545927 0.49930849576288 22.990 > 1 3 Na 0.37738866324175 0.53243807545927 0.99930849576288 22.990 > 1 4 Na 0.87738866324175 0.53243807545927 0.99930849576288 22.990 > 1 5 Na 0.37083980280526 0.96995570628361 0.43731416678173 22.990 > 5 6 Na 0.87083980280526 0.96995570628361 0.43731416678173 22.990 > 5 7 Na 0.37083980280526 0.96995570628361 0.93731416678173 22.990 > 5 8 Na 0.87083980280526 0.96995570628361 0.93731416678173 22.990 > 5 9 Na 0.11930192007382 0.78427278628882 0.40553778749590 22.990 > 9 10 Na 0.61930192007382 0.78427278628882 0.40553778749590 22.990 > 9 11 Na 0.11930192007382 0.78427278628882 0.90553778749590 22.990 > 9 12 Na 0.61930192007382 0.78427278628882 0.90553778749590 22.990 > 9 13 Na 0.12916019719474 0.46995570628361 0.31268583321827 22.990 > 13 14 Na 0.62916019719474 0.46995570628361 0.31268583321827 22.990 > 13 15 Na 0.12916019719474 0.46995570628361 0.81268583321827 22.990 > 13 16 Na 0.62916019719474 0.46995570628361 0.81268583321827 22.990 > 13 17 Na 0.38069807992618 0.28427278628882 0.34446221250410 22.990 > 17 18 Na 0.88069807992618 0.28427278628882 0.34446221250410 22.990 > 17 19 Na 0.38069807992618 0.28427278628882 0.84446221250410 22.990 > 17 20 Na 0.88069807992618 0.28427278628882 0.84446221250410 22.990 > 17 21 Na 0.12261133675825 0.03243807545926 0.25069150423712 22.990 > 21 22 Na 0.62261133675825 0.03243807545926 0.25069150423712 22.990 > 21 23 Na 0.12261133675825 0.03243807545926 0.75069150423712 22.990 > 21 24 Na 0.62261133675825 0.03243807545926 0.75069150423712 22.990 > 21 25 Na 0.37738866324175 0.96756192454073 0.24930849576288 22.990 > 25 26 Na 0.87738866324175 0.96756192454073 0.24930849576288 22.990 > 25 27 Na 0.37738866324175 0.96756192454073 0.74930849576288 22.990 > 25 28 Na 0.87738866324175 0.96756192454073 0.74930849576288 22.990 > 25 29 Na 0.11930192007382 0.71572721371118 0.15553778749590 22.990 > 29 30 Na 0.61930192007382 0.71572721371118 0.15553778749590 22.990 > 29 31 Na 0.11930192007382 0.71572721371118 0.65553778749590 22.990 > 29 32 Na 0.61930192007382 0.71572721371118 0.65553778749590 22.990 > 29 33 Na 0.37083980280526 0.53004429371639 0.18731416678173 22.990 > 33 34 Na 0.87083980280526 0.53004429371639 0.18731416678173 22.990 > 33 35 Na 0.37083980280526 0.53004429371639 0.68731416678173 22.990 > 33 36 Na 0.87083980280526 0.53004429371639 0.68731416678173 22.990 > 33 37 Na 0.38069807992618 0.21572721371119 0.09446221250410 22.990 > 37 38 Na 0.88069807992618 0.21572721371119 0.09446221250410 22.990 > 37 39 Na 0.38069807992618 0.21572721371119 0.59446221250410 22.990 > 37 40 Na 0.88069807992618 0.21572721371119 0.59446221250410 22.990 > 37 41 Na 0.12916019719474 0.03004429371639 0.06268583321827 22.990 > 41 42 Na 0.62916019719474 0.03004429371639 0.06268583321827 22.990 > 41 43 Na 0.12916019719474 0.03004429371639 0.56268583321827 22.990 > 41 44 Na 0.62916019719474 0.03004429371639 0.56268583321827 22.990 > 41 45 Na 0.12261133675825 0.46756192454073 0.00069150423712 22.990 > 45 46 Na 0.62261133675825 0.46756192454073 0.00069150423712 22.990 > 45 47 Na 0.12261133675825 0.46756192454073 0.50069150423712 22.990 > 45 48 Na 0.62261133675825 0.46756192454073 0.50069150423712 22.990 > 45 49 Cu 0.14766742948514 0.17872491329440 0.41417094046321 63.546 > 49 50 Cu 0.64766742948514 0.17872491329440 0.41417094046321 63.546 > 49 51 Cu 0.14766742948514 0.17872491329440 0.91417094046321 63.546 > 49 52 Cu 0.64766742948514 0.17872491329440 0.91417094046321 63.546 > 49 53 Cu 0.35233257051486 0.67872491329440 0.33582905953679 63.546 > 53 54 Cu 0.85233257051486 0.67872491329440 0.33582905953679 63.546 > 53 55 Cu 0.35233257051486 0.67872491329440 0.83582905953679 63.546 > 53 56 Cu 0.85233257051486 0.67872491329440 0.83582905953679 63.546 > 53 57 Cu 0.14766742948514 0.32127508670560 0.16417094046321 63.546 > 57 58 Cu 0.64766742948514 0.32127508670560 0.16417094046321 63.546 > 57 59 Cu 0.14766742948514 0.32127508670560 0.66417094046321 63.546 > 57 60 Cu 0.64766742948514 0.32127508670560 0.66417094046321 63.546 > 57 61 Cu 0.35233257051486 0.82127508670560 0.08582905953679 63.546 > 61 62 Cu 0.85233257051486 0.82127508670560 0.08582905953679 63.546 > 61 63 Cu 0.35233257051486 0.82127508670560 0.58582905953679 63.546 > 61 64 Cu 0.85233257051486 0.82127508670560 0.58582905953679 63.546 > 61 65 O 0.26439944152255 0.32326272183944 0.44212242543886 15.999 > 65 66 O 0.76439944152255 0.32326272183944 0.44212242543886 15.999 > 65 67 O 0.26439944152255 0.32326272183944 0.94212242543886 15.999 > 65 68 O 0.76439944152255 0.32326272183944 0.94212242543886 15.999 > 65 69 O 0.02836056001070 0.03615692861092 0.38912750938340 15.999 > 69 70 O 0.52836056001070 0.03615692861092 0.38912750938340 15.999 > 69 71 O 0.02836056001070 0.03615692861092 0.88912750938340 15.999 > 69 72 O 0.52836056001070 0.03615692861092 0.88912750938340 15.999 > 69 73 O 0.23560055847745 0.82326272183944 0.30787757456114 15.999 > 73 74 O 0.73560055847745 0.82326272183944 0.30787757456114 15.999 > 73 75 O 0.23560055847745 0.82326272183944 0.80787757456114 15.999 > 73 76 O 0.73560055847745 0.82326272183944 0.80787757456114 15.999 > 73 77 O 0.47163943998930 0.53615692861092 0.36087249061660 15.999 > 77 78 O 0.97163943998930 0.53615692861092 0.36087249061660 15.999 > 77 79 O 0.47163943998930 0.53615692861092 0.86087249061660 15.999 > 77 80 O 0.97163943998930 0.53615692861092 0.86087249061660 15.999 > 77 81 O 0.02836056001070 0.46384307138908 0.13912750938340 15.999 > 81 82 O 0.52836056001070 0.46384307138908 0.13912750938340 15.999 > 81 83 O 0.02836056001070 0.46384307138908 0.63912750938340 15.999 > 81 84 O 0.52836056001070 0.46384307138908 0.63912750938340 15.999 > 81 85 O 0.26439944152255 0.17673727816056 0.19212242543886 15.999 > 85 86 O 0.76439944152255 0.17673727816056 0.19212242543886 15.999 > 85 87 O 0.26439944152255 0.17673727816056 0.69212242543886 15.999 > 85 88 O 0.76439944152255 0.17673727816056 0.69212242543886 15.999 > 85 89 O 0.47163943998930 0.96384307138908 0.11087249061660 15.999 > 89 90 O 0.97163943998930 0.96384307138908 0.11087249061660 15.999 > 89 91 O 0.47163943998930 0.96384307138908 0.61087249061660 15.999 > 89 92 O 0.97163943998930 0.96384307138908 0.61087249061660 15.999 > 89 93 O 0.23560055847745 0.67673727816056 0.05787757456114 15.999 > 93 94 O 0.73560055847745 0.67673727816056 0.05787757456114 15.999 > 93 95 O 0.23560055847745 0.67673727816056 0.55787757456114 15.999 > 93 96 O 0.73560055847745 0.67673727816056 0.55787757456114 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.4907314 0.0000000 -0.0013383 0.0000000 3.6500810 0.0000000 -0.0013380 0.0000000 3.4878516 -------------------------- Born effective charges -------------------------- 1 Na 0.9238888 0.0135881 0.0188416 -0.0301102 1.0722859 -0.0121886 -0.0451467 0.0207657 1.0725498 2 Na 1.0336534 -0.0324170 -0.0972573 0.0159417 1.0508935 -0.0231794 -0.0537901 0.0047566 1.0123229 3 Na 1.1096653 0.0773094 0.0773489 0.0106732 0.9888392 0.0417104 0.0970443 0.0284656 0.9757547 4 Na 1.0336534 0.0324170 -0.0972573 -0.0159417 1.0508935 0.0231794 -0.0537901 -0.0047566 1.0123229 5 Na 1.1096653 -0.0773094 0.0773489 -0.0106732 0.9888392 -0.0417104 0.0970443 -0.0284656 0.9757547 6 Na 0.9238888 -0.0135881 0.0188416 0.0301102 1.0722859 0.0121886 -0.0451467 -0.0207657 1.0725498 7 Na 0.9238888 -0.0135881 0.0188416 0.0301102 1.0722859 0.0121886 -0.0451467 -0.0207657 1.0725498 8 Na 1.1096653 -0.0773094 0.0773489 -0.0106732 0.9888392 -0.0417104 0.0970443 -0.0284656 0.9757547 9 Na 1.0336534 0.0324170 -0.0972573 -0.0159417 1.0508935 0.0231794 -0.0537901 -0.0047566 1.0123229 10 Na 1.1096653 0.0773094 0.0773489 0.0106732 0.9888392 0.0417104 0.0970443 0.0284656 0.9757547 11 Na 1.0336534 -0.0324170 -0.0972573 0.0159417 1.0508935 -0.0231794 -0.0537901 0.0047566 1.0123229 12 Na 0.9238888 0.0135881 0.0188416 -0.0301102 1.0722859 -0.0121886 -0.0451467 0.0207657 1.0725498 13 Cu 0.3584275 1.0734615 0.3396849 1.1807708 0.4490125 0.4172943 0.3262803 0.3609062 -0.6070641 14 Cu 0.3584275 -1.0734615 0.3396849 -1.1807708 0.4490125 -0.4172943 0.3262803 -0.3609062 -0.6070641 15 Cu 0.3584275 -1.0734615 0.3396849 -1.1807708 0.4490125 -0.4172943 0.3262803 -0.3609062 -0.6070641 16 Cu 0.3584275 1.0734615 0.3396849 1.1807708 0.4490125 0.4172943 0.3262803 0.3609062 -0.6070641 17 O -1.6017398 -0.6134586 -0.1294321 -0.5909633 -1.8053557 -0.1885037 -0.1038569 -0.1795371 -1.2747084 18 O -1.8238952 -0.5938231 -0.2091861 -0.6375902 -1.7556753 -0.1878453 -0.2205310 -0.1813817 -1.1788550 19 O -1.6017398 0.6134586 -0.1294321 0.5909633 -1.8053557 0.1885037 -0.1038569 0.1795371 -1.2747084 20 O -1.8238952 0.5938231 -0.2091861 0.6375902 -1.7556753 0.1878453 -0.2205310 0.1813817 -1.1788550 21 O -1.8238952 0.5938231 -0.2091861 0.6375902 -1.7556753 0.1878453 -0.2205310 0.1813817 -1.1788550 22 O -1.6017398 0.6134586 -0.1294321 0.5909633 -1.8053557 0.1885037 -0.1038569 0.1795371 -1.2747084 23 O -1.8238952 -0.5938231 -0.2091861 -0.6375902 -1.7556753 -0.1878453 -0.2205310 -0.1813817 -1.1788550 24 O -1.6017398 -0.6134586 -0.1294321 -0.5909633 -1.8053557 -0.1885037 -0.1038569 -0.1795371 -1.2747084 ---------------------------------------------------------------------------- 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 65, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Computing fc3[ 69, 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] [-0.0037 0.0000 0.0093] [ 0.0037 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:44:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:44:26]------------------------- 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): [2 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.753063821471640 0.000000000000000 0.000000000000000 b 0.000000000000000 8.709608080000001 0.000000000000000 c -2.818376589872337 0.000000000000000 7.163748886735408 Atomic positions (fractional): 1 Na 0.75477732648349 0.53243807545927 0.99861699152576 22.990 2 Na 0.74167960561053 0.96995570628361 0.87462833356347 22.990 3 Na 0.23860384014764 0.78427278628882 0.81107557499180 22.990 4 Na 0.25832039438948 0.46995570628361 0.62537166643653 22.990 5 Na 0.76139615985236 0.28427278628882 0.68892442500820 22.990 6 Na 0.24522267351651 0.03243807545926 0.50138300847424 22.990 7 Na 0.75477732648349 0.96756192454073 0.49861699152576 22.990 8 Na 0.23860384014764 0.71572721371118 0.31107557499180 22.990 9 Na 0.74167960561053 0.53004429371639 0.37462833356347 22.990 10 Na 0.76139615985236 0.21572721371119 0.18892442500820 22.990 11 Na 0.25832039438948 0.03004429371639 0.12537166643653 22.990 12 Na 0.24522267351651 0.46756192454073 0.00138300847424 22.990 13 Cu 0.29533485897029 0.17872491329440 0.82834188092642 63.546 14 Cu 0.70466514102971 0.67872491329440 0.67165811907358 63.546 15 Cu 0.29533485897029 0.32127508670560 0.32834188092642 63.546 16 Cu 0.70466514102971 0.82127508670560 0.17165811907358 63.546 17 O 0.52879888304510 0.32326272183944 0.88424485087772 15.999 18 O 0.05672112002139 0.03615692861092 0.77825501876679 15.999 19 O 0.47120111695490 0.82326272183944 0.61575514912228 15.999 20 O 0.94327887997861 0.53615692861092 0.72174498123321 15.999 21 O 0.05672112002139 0.46384307138908 0.27825501876679 15.999 22 O 0.52879888304510 0.17673727816056 0.38424485087772 15.999 23 O 0.94327887997861 0.96384307138908 0.22174498123321 15.999 24 O 0.47120111695490 0.67673727816056 0.11575514912228 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.506127642943280 0.000000000000000 0.000000000000000 b 0.000000000000000 8.709608080000001 0.000000000000000 c -5.636753179744674 0.000000000000000 14.327497773470816 Atomic positions (fractional): 1 Na 0.37738866324175 0.53243807545927 0.49930849576288 22.990 > 1 2 Na 0.87738866324175 0.53243807545927 0.49930849576288 22.990 > 1 3 Na 0.37738866324175 0.53243807545927 0.99930849576288 22.990 > 1 4 Na 0.87738866324175 0.53243807545927 0.99930849576288 22.990 > 1 5 Na 0.37083980280526 0.96995570628361 0.43731416678173 22.990 > 5 6 Na 0.87083980280526 0.96995570628361 0.43731416678173 22.990 > 5 7 Na 0.37083980280526 0.96995570628361 0.93731416678173 22.990 > 5 8 Na 0.87083980280526 0.96995570628361 0.93731416678173 22.990 > 5 9 Na 0.11930192007382 0.78427278628882 0.40553778749590 22.990 > 9 10 Na 0.61930192007382 0.78427278628882 0.40553778749590 22.990 > 9 11 Na 0.11930192007382 0.78427278628882 0.90553778749590 22.990 > 9 12 Na 0.61930192007382 0.78427278628882 0.90553778749590 22.990 > 9 13 Na 0.12916019719474 0.46995570628361 0.31268583321827 22.990 > 13 14 Na 0.62916019719474 0.46995570628361 0.31268583321827 22.990 > 13 15 Na 0.12916019719474 0.46995570628361 0.81268583321827 22.990 > 13 16 Na 0.62916019719474 0.46995570628361 0.81268583321827 22.990 > 13 17 Na 0.38069807992618 0.28427278628882 0.34446221250410 22.990 > 17 18 Na 0.88069807992618 0.28427278628882 0.34446221250410 22.990 > 17 19 Na 0.38069807992618 0.28427278628882 0.84446221250410 22.990 > 17 20 Na 0.88069807992618 0.28427278628882 0.84446221250410 22.990 > 17 21 Na 0.12261133675825 0.03243807545926 0.25069150423712 22.990 > 21 22 Na 0.62261133675825 0.03243807545926 0.25069150423712 22.990 > 21 23 Na 0.12261133675825 0.03243807545926 0.75069150423712 22.990 > 21 24 Na 0.62261133675825 0.03243807545926 0.75069150423712 22.990 > 21 25 Na 0.37738866324175 0.96756192454073 0.24930849576288 22.990 > 25 26 Na 0.87738866324175 0.96756192454073 0.24930849576288 22.990 > 25 27 Na 0.37738866324175 0.96756192454073 0.74930849576288 22.990 > 25 28 Na 0.87738866324175 0.96756192454073 0.74930849576288 22.990 > 25 29 Na 0.11930192007382 0.71572721371118 0.15553778749590 22.990 > 29 30 Na 0.61930192007382 0.71572721371118 0.15553778749590 22.990 > 29 31 Na 0.11930192007382 0.71572721371118 0.65553778749590 22.990 > 29 32 Na 0.61930192007382 0.71572721371118 0.65553778749590 22.990 > 29 33 Na 0.37083980280526 0.53004429371639 0.18731416678173 22.990 > 33 34 Na 0.87083980280526 0.53004429371639 0.18731416678173 22.990 > 33 35 Na 0.37083980280526 0.53004429371639 0.68731416678173 22.990 > 33 36 Na 0.87083980280526 0.53004429371639 0.68731416678173 22.990 > 33 37 Na 0.38069807992618 0.21572721371119 0.09446221250410 22.990 > 37 38 Na 0.88069807992618 0.21572721371119 0.09446221250410 22.990 > 37 39 Na 0.38069807992618 0.21572721371119 0.59446221250410 22.990 > 37 40 Na 0.88069807992618 0.21572721371119 0.59446221250410 22.990 > 37 41 Na 0.12916019719474 0.03004429371639 0.06268583321827 22.990 > 41 42 Na 0.62916019719474 0.03004429371639 0.06268583321827 22.990 > 41 43 Na 0.12916019719474 0.03004429371639 0.56268583321827 22.990 > 41 44 Na 0.62916019719474 0.03004429371639 0.56268583321827 22.990 > 41 45 Na 0.12261133675825 0.46756192454073 0.00069150423712 22.990 > 45 46 Na 0.62261133675825 0.46756192454073 0.00069150423712 22.990 > 45 47 Na 0.12261133675825 0.46756192454073 0.50069150423712 22.990 > 45 48 Na 0.62261133675825 0.46756192454073 0.50069150423712 22.990 > 45 49 Cu 0.14766742948514 0.17872491329440 0.41417094046321 63.546 > 49 50 Cu 0.64766742948514 0.17872491329440 0.41417094046321 63.546 > 49 51 Cu 0.14766742948514 0.17872491329440 0.91417094046321 63.546 > 49 52 Cu 0.64766742948514 0.17872491329440 0.91417094046321 63.546 > 49 53 Cu 0.35233257051486 0.67872491329440 0.33582905953679 63.546 > 53 54 Cu 0.85233257051486 0.67872491329440 0.33582905953679 63.546 > 53 55 Cu 0.35233257051486 0.67872491329440 0.83582905953679 63.546 > 53 56 Cu 0.85233257051486 0.67872491329440 0.83582905953679 63.546 > 53 57 Cu 0.14766742948514 0.32127508670560 0.16417094046321 63.546 > 57 58 Cu 0.64766742948514 0.32127508670560 0.16417094046321 63.546 > 57 59 Cu 0.14766742948514 0.32127508670560 0.66417094046321 63.546 > 57 60 Cu 0.64766742948514 0.32127508670560 0.66417094046321 63.546 > 57 61 Cu 0.35233257051486 0.82127508670560 0.08582905953679 63.546 > 61 62 Cu 0.85233257051486 0.82127508670560 0.08582905953679 63.546 > 61 63 Cu 0.35233257051486 0.82127508670560 0.58582905953679 63.546 > 61 64 Cu 0.85233257051486 0.82127508670560 0.58582905953679 63.546 > 61 65 O 0.26439944152255 0.32326272183944 0.44212242543886 15.999 > 65 66 O 0.76439944152255 0.32326272183944 0.44212242543886 15.999 > 65 67 O 0.26439944152255 0.32326272183944 0.94212242543886 15.999 > 65 68 O 0.76439944152255 0.32326272183944 0.94212242543886 15.999 > 65 69 O 0.02836056001070 0.03615692861092 0.38912750938340 15.999 > 69 70 O 0.52836056001070 0.03615692861092 0.38912750938340 15.999 > 69 71 O 0.02836056001070 0.03615692861092 0.88912750938340 15.999 > 69 72 O 0.52836056001070 0.03615692861092 0.88912750938340 15.999 > 69 73 O 0.23560055847745 0.82326272183944 0.30787757456114 15.999 > 73 74 O 0.73560055847745 0.82326272183944 0.30787757456114 15.999 > 73 75 O 0.23560055847745 0.82326272183944 0.80787757456114 15.999 > 73 76 O 0.73560055847745 0.82326272183944 0.80787757456114 15.999 > 73 77 O 0.47163943998930 0.53615692861092 0.36087249061660 15.999 > 77 78 O 0.97163943998930 0.53615692861092 0.36087249061660 15.999 > 77 79 O 0.47163943998930 0.53615692861092 0.86087249061660 15.999 > 77 80 O 0.97163943998930 0.53615692861092 0.86087249061660 15.999 > 77 81 O 0.02836056001070 0.46384307138908 0.13912750938340 15.999 > 81 82 O 0.52836056001070 0.46384307138908 0.13912750938340 15.999 > 81 83 O 0.02836056001070 0.46384307138908 0.63912750938340 15.999 > 81 84 O 0.52836056001070 0.46384307138908 0.63912750938340 15.999 > 81 85 O 0.26439944152255 0.17673727816056 0.19212242543886 15.999 > 85 86 O 0.76439944152255 0.17673727816056 0.19212242543886 15.999 > 85 87 O 0.26439944152255 0.17673727816056 0.69212242543886 15.999 > 85 88 O 0.76439944152255 0.17673727816056 0.69212242543886 15.999 > 85 89 O 0.47163943998930 0.96384307138908 0.11087249061660 15.999 > 89 90 O 0.97163943998930 0.96384307138908 0.11087249061660 15.999 > 89 91 O 0.47163943998930 0.96384307138908 0.61087249061660 15.999 > 89 92 O 0.97163943998930 0.96384307138908 0.61087249061660 15.999 > 89 93 O 0.23560055847745 0.67673727816056 0.05787757456114 15.999 > 93 94 O 0.73560055847745 0.67673727816056 0.05787757456114 15.999 > 93 95 O 0.23560055847745 0.67673727816056 0.55787757456114 15.999 > 93 96 O 0.73560055847745 0.67673727816056 0.55787757456114 15.999 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.4907314 0.0000000 -0.0013383 0.0000000 3.6500810 0.0000000 -0.0013380 0.0000000 3.4878516 -------------------------- Born effective charges -------------------------- 1 Na 0.9238888 0.0135881 0.0188416 -0.0301102 1.0722859 -0.0121886 -0.0451467 0.0207657 1.0725498 2 Na 1.0336534 -0.0324170 -0.0972573 0.0159417 1.0508935 -0.0231794 -0.0537901 0.0047566 1.0123229 3 Na 1.1096653 0.0773094 0.0773489 0.0106732 0.9888392 0.0417104 0.0970443 0.0284656 0.9757547 4 Na 1.0336534 0.0324170 -0.0972573 -0.0159417 1.0508935 0.0231794 -0.0537901 -0.0047566 1.0123229 5 Na 1.1096653 -0.0773094 0.0773489 -0.0106732 0.9888392 -0.0417104 0.0970443 -0.0284656 0.9757547 6 Na 0.9238888 -0.0135881 0.0188416 0.0301102 1.0722859 0.0121886 -0.0451467 -0.0207657 1.0725498 7 Na 0.9238888 -0.0135881 0.0188416 0.0301102 1.0722859 0.0121886 -0.0451467 -0.0207657 1.0725498 8 Na 1.1096653 -0.0773094 0.0773489 -0.0106732 0.9888392 -0.0417104 0.0970443 -0.0284656 0.9757547 9 Na 1.0336534 0.0324170 -0.0972573 -0.0159417 1.0508935 0.0231794 -0.0537901 -0.0047566 1.0123229 10 Na 1.1096653 0.0773094 0.0773489 0.0106732 0.9888392 0.0417104 0.0970443 0.0284656 0.9757547 11 Na 1.0336534 -0.0324170 -0.0972573 0.0159417 1.0508935 -0.0231794 -0.0537901 0.0047566 1.0123229 12 Na 0.9238888 0.0135881 0.0188416 -0.0301102 1.0722859 -0.0121886 -0.0451467 0.0207657 1.0725498 13 Cu 0.3584275 1.0734615 0.3396849 1.1807708 0.4490125 0.4172943 0.3262803 0.3609062 -0.6070641 14 Cu 0.3584275 -1.0734615 0.3396849 -1.1807708 0.4490125 -0.4172943 0.3262803 -0.3609062 -0.6070641 15 Cu 0.3584275 -1.0734615 0.3396849 -1.1807708 0.4490125 -0.4172943 0.3262803 -0.3609062 -0.6070641 16 Cu 0.3584275 1.0734615 0.3396849 1.1807708 0.4490125 0.4172943 0.3262803 0.3609062 -0.6070641 17 O -1.6017398 -0.6134586 -0.1294321 -0.5909633 -1.8053557 -0.1885037 -0.1038569 -0.1795371 -1.2747084 18 O -1.8238952 -0.5938231 -0.2091861 -0.6375902 -1.7556753 -0.1878453 -0.2205310 -0.1813817 -1.1788550 19 O -1.6017398 0.6134586 -0.1294321 0.5909633 -1.8053557 0.1885037 -0.1038569 0.1795371 -1.2747084 20 O -1.8238952 0.5938231 -0.2091861 0.6375902 -1.7556753 0.1878453 -0.2205310 0.1813817 -1.1788550 21 O -1.8238952 0.5938231 -0.2091861 0.6375902 -1.7556753 0.1878453 -0.2205310 0.1813817 -1.1788550 22 O -1.6017398 0.6134586 -0.1294321 0.5909633 -1.8053557 0.1885037 -0.1038569 0.1795371 -1.2747084 23 O -1.8238952 -0.5938231 -0.2091861 -0.6375902 -1.7556753 -0.1878453 -0.2205310 -0.1813817 -1.1788550 24 O -1.6017398 -0.6134586 -0.1294321 -0.5909633 -1.8053557 -0.1885037 -0.1038569 -0.1795371 -1.2747084 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 6 7 ] 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: 0.58, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/128) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.987 ( 0.000 0.000 0.000) 0.000 2.667 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.917 ( 0.000 0.000 0.000) 0.000 3.192 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.327 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.872 ( 0.000 0.000 0.000) 0.000 3.883 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.216 ( 0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.364 ( 0.000 0.000 0.000) 0.000 4.383 ( 0.000 0.000 0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.715 ( 0.000 0.000 0.000) 0.000 4.830 ( 0.000 0.000 0.000) 0.000 4.919 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.063 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.571 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.836 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 5.921 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.342 ( 0.000 0.000 0.000) 0.000 6.391 ( 0.000 0.000 0.000) 0.000 6.637 ( 0.000 0.000 0.000) 0.000 6.894 ( 0.000 0.000 0.000) 0.000 7.209 ( 0.000 0.000 0.000) 0.000 7.384 ( 0.000 0.000 0.000) 0.000 7.405 ( 0.000 0.000 0.000) 0.000 7.438 ( 0.000 0.000 0.000) 0.000 7.594 ( 0.000 0.000 0.000) 0.000 7.605 ( 0.000 0.000 0.000) 0.000 7.657 ( 0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.747 ( 0.000 0.000 0.000) 0.000 7.945 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.264 ( 0.000 0.000 0.000) 0.000 8.300 ( 0.000 0.000 0.000) 0.000 8.302 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 8.904 ( 0.000 0.000 0.000) 0.000 9.349 ( 0.000 0.000 0.000) 0.000 18.805 ( 0.000 0.000 0.000) 0.000 19.005 ( 0.000 0.000 0.000) 0.000 19.190 ( 0.000 0.000 0.000) 0.000 19.563 ( 0.000 0.000 0.000) 0.000 20.298 ( 0.000 0.000 0.000) 0.000 20.304 ( 0.000 0.000 0.000) 0.000 20.341 ( 0.000 0.000 0.000) 0.000 20.961 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/128) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 18.515 0.000 14.648) 23.609 0.537 ( 21.724 0.000 14.061) 25.878 1.022 ( 44.523 0.000 19.040) 48.423 2.040 ( 5.098 0.000 -0.300) 5.107 2.642 ( -9.503 0.000 7.537) 12.129 2.701 ( 4.214 0.000 -10.933) 11.717 2.806 ( -2.680 0.000 1.236) 2.951 2.883 ( -1.503 0.000 1.880) 2.407 2.914 ( 2.703 0.000 -14.264) 14.518 3.130 ( -6.069 0.000 0.122) 6.070 3.252 ( -0.728 0.000 -5.706) 5.752 3.299 ( 9.379 0.000 1.991) 9.588 3.523 ( 2.238 0.000 -0.941) 2.428 3.606 ( 4.421 0.000 -6.585) 7.931 3.787 ( -4.960 0.000 -5.538) 7.435 3.932 ( 3.994 0.000 0.337) 4.008 4.021 ( 0.701 0.000 1.426) 1.589 4.102 ( 4.433 0.000 -2.639) 5.159 4.205 ( -0.390 0.000 -2.354) 2.386 4.245 ( -1.520 0.000 4.467) 4.718 4.303 ( -4.794 0.000 -4.013) 6.253 4.441 ( 5.131 0.000 3.768) 6.366 4.579 ( -2.954 0.000 -2.798) 4.068 4.774 ( -6.412 0.000 4.659) 7.925 4.776 ( 4.186 0.000 -0.168) 4.189 4.861 ( -2.877 0.000 -4.284) 5.160 4.940 ( -7.294 0.000 3.474) 8.079 5.171 ( 4.612 0.000 8.643) 9.796 5.210 ( -3.198 0.000 2.559) 4.096 5.357 ( -1.327 0.000 3.313) 3.569 5.526 ( 2.704 0.000 -3.877) 4.727 5.592 ( -3.310 0.000 -2.472) 4.131 5.635 ( -11.165 0.000 12.695) 16.906 5.872 ( -2.402 0.000 -2.311) 3.333 5.909 ( 4.970 0.000 -7.054) 8.629 6.131 ( -4.585 0.000 -0.481) 4.610 6.134 ( 6.827 0.000 -6.950) 9.742 6.232 ( -5.732 0.000 1.366) 5.893 6.349 ( 1.256 0.000 0.991) 1.599 6.450 ( 6.939 0.000 1.230) 7.047 6.491 ( 2.293 0.000 4.130) 4.724 6.723 ( 7.219 0.000 2.990) 7.814 6.935 ( 3.862 0.000 -0.831) 3.950 7.195 ( -9.751 0.000 -5.774) 11.332 7.291 ( 5.626 0.000 -0.655) 5.664 7.406 ( -4.054 0.000 -2.434) 4.728 7.440 ( -2.716 0.000 -1.922) 3.327 7.557 ( -1.987 0.000 -3.830) 4.315 7.598 ( -1.897 0.000 1.271) 2.284 7.650 ( -3.487 0.000 8.937) 9.593 7.737 ( 1.325 0.000 -5.259) 5.423 7.906 ( -6.863 0.000 1.630) 7.054 8.004 ( 1.312 0.000 5.520) 5.674 8.076 ( 3.194 0.000 -8.082) 8.691 8.091 ( 3.448 0.000 1.204) 3.652 8.210 ( -8.596 0.000 -5.270) 10.083 8.281 ( 4.814 0.000 -3.173) 5.766 8.350 ( 3.258 0.000 1.142) 3.453 8.434 ( 8.384 0.000 -6.898) 10.857 8.740 ( -5.737 0.000 -9.396) 11.009 8.840 ( -1.397 0.000 0.663) 1.546 8.912 ( 0.406 0.000 0.506) 0.649 9.374 ( -11.299 0.000 19.579) 22.606 9.400 ( -0.187 0.000 10.221) 10.222 18.836 ( 2.708 0.000 0.902) 2.854 19.007 ( 0.407 0.000 -0.623) 0.744 19.193 ( 0.301 0.000 0.034) 0.303 19.599 ( -0.346 0.000 0.665) 0.750 20.324 ( -0.869 0.000 -2.165) 2.333 20.343 ( 3.878 0.000 1.654) 4.216 20.907 ( -4.287 0.000 -2.768) 5.103 21.524 ( -1.009 0.000 -7.746) 7.811 ======================= Grid point 2 (3/128) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 18.606 0.000 14.604) 23.653 1.040 ( 19.680 0.000 11.894) 22.995 1.979 ( 39.253 0.000 16.213) 42.469 2.122 ( 1.289 0.000 -0.667) 1.451 2.558 ( -1.637 0.000 9.282) 9.425 2.629 ( -9.202 0.000 -11.704) 14.888 2.715 ( 1.356 0.000 -5.072) 5.250 2.828 ( -1.179 0.000 -6.929) 7.029 2.906 ( 3.152 0.000 -3.606) 4.790 3.048 ( -2.497 0.000 1.046) 2.707 3.232 ( 1.638 0.000 -6.863) 7.056 3.475 ( -6.263 0.000 0.157) 6.265 3.478 ( 5.165 0.000 -4.574) 6.900 3.628 ( 3.448 0.000 -7.678) 8.416 3.691 ( 1.019 0.000 1.006) 1.432 3.997 ( 1.020 0.000 -1.280) 1.637 4.134 ( 8.158 0.000 4.952) 9.543 4.143 ( 2.423 0.000 -2.084) 3.196 4.182 ( 2.981 0.000 -7.080) 7.682 4.246 ( 1.064 0.000 -1.096) 1.527 4.260 ( 0.231 0.000 5.511) 5.516 4.464 ( -6.370 0.000 -2.050) 6.692 4.558 ( 3.891 0.000 0.358) 3.907 4.675 ( -7.288 0.000 5.621) 9.204 4.787 ( -2.631 0.000 0.819) 2.756 4.802 ( -3.910 0.000 0.485) 3.940 4.876 ( 1.024 0.000 2.599) 2.793 5.161 ( -3.437 0.000 2.055) 4.005 5.277 ( -1.358 0.000 3.755) 3.993 5.348 ( -4.005 0.000 5.541) 6.837 5.404 ( -12.742 0.000 -3.828) 13.305 5.474 ( -2.489 0.000 -8.345) 8.708 5.520 ( -4.471 0.000 2.530) 5.138 5.845 ( -0.575 0.000 0.210) 0.612 6.002 ( 6.140 0.000 -0.005) 6.140 6.085 ( 0.015 0.000 3.393) 3.393 6.197 ( 2.010 0.000 1.351) 2.422 6.200 ( 2.884 0.000 -1.561) 3.280 6.368 ( -2.249 0.000 2.165) 3.121 6.544 ( 2.070 0.000 1.590) 2.610 6.607 ( 6.638 0.000 3.251) 7.391 6.923 ( -11.309 0.000 -6.049) 12.825 6.923 ( 8.297 0.000 6.346) 10.446 7.010 ( 4.130 0.000 -3.079) 5.151 7.282 ( -5.893 0.000 -3.653) 6.934 7.319 ( -6.134 0.000 -2.711) 6.706 7.423 ( 3.936 0.000 -3.619) 5.347 7.490 ( 0.148 0.000 1.282) 1.291 7.520 ( -5.981 0.000 -2.375) 6.435 7.679 ( -1.307 0.000 10.422) 10.503 7.732 ( 3.013 0.000 -7.396) 7.986 7.782 ( -8.108 0.000 2.316) 8.433 8.002 ( -6.271 0.000 -3.211) 7.046 8.019 ( -2.560 0.000 2.531) 3.600 8.069 ( 2.001 0.000 -6.227) 6.540 8.165 ( 2.481 0.000 0.653) 2.565 8.362 ( 3.245 0.000 -2.930) 4.372 8.471 ( 8.133 0.000 0.790) 8.171 8.545 ( 4.611 0.000 1.577) 4.873 8.550 ( -3.803 0.000 -8.985) 9.757 8.789 ( -3.745 0.000 -1.076) 3.896 8.928 ( 0.673 0.000 0.870) 1.100 9.277 ( -8.579 0.000 5.898) 10.411 9.452 ( -3.727 0.000 11.785) 12.360 18.913 ( 3.959 0.000 1.377) 4.191 19.011 ( 0.630 0.000 -0.967) 1.154 19.201 ( 0.446 0.000 0.162) 0.475 19.600 ( -0.356 0.000 1.307) 1.355 20.282 ( -0.998 0.000 -3.445) 3.586 20.463 ( 6.593 0.000 2.564) 7.074 20.767 ( -6.878 0.000 -4.320) 8.122 21.413 ( -5.558 0.000 -4.137) 6.929 ======================= Grid point 3 (4/128) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 17.360 0.000 14.748) 22.779 1.461 ( 15.909 0.000 7.512) 17.594 2.067 ( -5.058 0.000 0.584) 5.092 2.366 ( -4.985 0.000 -16.162) 16.913 2.638 ( 14.212 0.000 4.362) 14.866 2.653 ( -5.776 0.000 5.985) 8.317 2.743 ( 4.285 0.000 -5.430) 6.917 2.754 ( 7.296 0.000 -0.454) 7.310 2.910 ( -4.311 0.000 2.288) 4.880 3.032 ( -11.002 0.000 -5.899) 12.484 3.200 ( 15.540 0.000 8.330) 17.632 3.420 ( -1.665 0.000 -10.289) 10.423 3.492 ( 9.408 0.000 -0.013) 9.408 3.660 ( 4.491 0.000 -2.280) 5.037 3.827 ( 6.618 0.000 4.152) 7.813 3.890 ( -7.171 0.000 -6.985) 10.011 4.151 ( -5.127 0.000 -0.120) 5.128 4.226 ( 4.848 0.000 -6.091) 7.785 4.241 ( 1.916 0.000 1.009) 2.165 4.292 ( 4.210 0.000 4.058) 5.847 4.374 ( -0.220 0.000 -0.634) 0.671 4.398 ( 2.620 0.000 2.083) 3.347 4.574 ( -2.166 0.000 2.346) 3.193 4.649 ( 7.347 0.000 -0.232) 7.351 4.737 ( -1.163 0.000 -1.879) 2.210 4.787 ( -3.779 0.000 9.901) 10.598 4.921 ( 1.247 0.000 0.661) 1.412 5.010 ( -16.601 0.000 -2.076) 16.731 5.121 ( -1.770 0.000 1.942) 2.628 5.230 ( -3.007 0.000 -10.326) 10.755 5.289 ( -4.778 0.000 3.463) 5.901 5.423 ( -0.547 0.000 -1.441) 1.541 5.508 ( 0.487 0.000 1.291) 1.380 5.775 ( -6.661 0.000 0.842) 6.714 6.106 ( -11.681 0.000 -0.816) 11.709 6.117 ( 2.406 0.000 2.868) 3.743 6.148 ( 2.337 0.000 2.532) 3.445 6.300 ( 4.026 0.000 3.273) 5.189 6.347 ( 3.244 0.000 -3.617) 4.858 6.637 ( 4.158 0.000 5.193) 6.653 6.696 ( -3.380 0.000 -3.788) 5.077 6.748 ( 2.534 0.000 2.023) 3.242 7.018 ( -1.518 0.000 -1.517) 2.147 7.084 ( 1.023 0.000 5.040) 5.143 7.142 ( -3.953 0.000 -1.614) 4.269 7.238 ( -0.218 0.000 -1.349) 1.367 7.338 ( -4.571 0.000 -3.410) 5.703 7.360 ( -5.852 0.000 -5.699) 8.169 7.591 ( -8.166 0.000 -3.016) 8.705 7.608 ( 5.550 0.000 1.376) 5.718 7.752 ( 0.439 0.000 10.187) 10.196 7.782 ( 3.994 0.000 -3.426) 5.262 7.945 ( 0.341 0.000 0.433) 0.551 7.969 ( -2.488 0.000 -1.160) 2.745 8.089 ( 3.783 0.000 -2.700) 4.648 8.177 ( 0.269 0.000 -4.833) 4.840 8.356 ( -2.492 0.000 0.611) 2.566 8.416 ( -0.688 0.000 -4.408) 4.461 8.609 ( -0.784 0.000 2.064) 2.208 8.701 ( -3.086 0.000 -0.698) 3.164 8.714 ( 12.426 0.000 -1.031) 12.468 8.947 ( 0.542 0.000 0.906) 1.055 9.148 ( -6.744 0.000 0.595) 6.770 9.428 ( -7.080 0.000 9.698) 12.008 18.994 ( 3.099 0.000 1.141) 3.303 19.016 ( 0.567 0.000 -0.850) 1.022 19.214 ( 0.634 0.000 0.375) 0.737 19.605 ( -0.143 0.000 1.262) 1.270 20.242 ( -0.303 0.000 -3.174) 3.188 20.599 ( -6.649 0.000 -3.908) 7.713 20.625 ( 7.814 0.000 2.624) 8.243 21.257 ( -7.594 0.000 -2.883) 8.123 ======================= Grid point 4 (5/128) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 10.435 0.000 2.062) 10.637 1.787 ( 9.304 0.000 11.695) 14.944 1.966 ( -6.109 0.000 1.046) 6.198 2.229 ( 3.732 0.000 -13.609) 14.111 2.573 ( -13.912 0.000 -0.414) 13.918 2.582 ( -3.346 0.000 1.058) 3.509 2.675 ( 0.142 0.000 -4.652) 4.654 2.860 ( 0.899 0.000 1.281) 1.565 2.895 ( -1.631 0.000 -0.918) 1.872 3.036 ( 8.992 0.000 9.705) 13.230 3.295 ( -3.240 0.000 -9.620) 10.151 3.594 ( 14.463 0.000 -1.105) 14.505 3.699 ( -4.640 0.000 1.989) 5.048 3.742 ( 3.466 0.000 -0.340) 3.483 3.768 ( 9.732 0.000 0.673) 9.755 3.946 ( 2.637 0.000 2.342) 3.527 3.982 ( -10.458 0.000 3.324) 10.974 4.286 ( 4.105 0.000 -1.193) 4.275 4.293 ( 0.035 0.000 0.682) 0.683 4.350 ( 0.778 0.000 0.029) 0.778 4.352 ( 2.195 0.000 -4.536) 5.039 4.407 ( 0.505 0.000 -1.131) 1.238 4.534 ( -5.070 0.000 -0.676) 5.115 4.618 ( -8.923 0.000 2.954) 9.399 4.763 ( 5.121 0.000 -1.949) 5.479 4.840 ( 4.922 0.000 1.826) 5.250 4.919 ( -1.384 0.000 0.048) 1.385 4.934 ( -0.241 0.000 5.958) 5.963 5.114 ( -1.328 0.000 1.280) 1.844 5.160 ( 4.934 0.000 -6.016) 7.781 5.239 ( -1.436 0.000 1.003) 1.752 5.368 ( -3.943 0.000 -1.921) 4.386 5.527 ( 0.583 0.000 0.158) 0.604 5.652 ( -4.781 0.000 0.402) 4.798 5.808 ( -11.163 0.000 -2.404) 11.419 6.196 ( 1.375 0.000 0.915) 1.651 6.205 ( 1.602 0.000 4.256) 4.547 6.310 ( -2.544 0.000 0.143) 2.548 6.372 ( 1.501 0.000 -3.708) 4.001 6.705 ( 5.004 0.000 -1.019) 5.107 6.746 ( 2.358 0.000 4.340) 4.939 6.776 ( -2.340 0.000 1.726) 2.908 6.989 ( -4.012 0.000 -1.484) 4.278 7.006 ( 0.929 0.000 0.267) 0.966 7.192 ( 1.913 0.000 2.979) 3.541 7.223 ( -1.799 0.000 1.973) 2.669 7.248 ( -1.275 0.000 -4.255) 4.441 7.250 ( -1.780 0.000 -3.710) 4.115 7.448 ( -3.725 0.000 -2.582) 4.533 7.696 ( 2.772 0.000 0.302) 2.789 7.800 ( -0.348 0.000 0.263) 0.436 7.816 ( -1.511 0.000 7.393) 7.546 7.932 ( 1.075 0.000 -4.065) 4.205 7.996 ( 2.977 0.000 -0.312) 2.993 8.132 ( -0.664 0.000 -2.943) 3.017 8.156 ( 3.400 0.000 -0.662) 3.464 8.322 ( -1.386 0.000 1.097) 1.768 8.395 ( 0.063 0.000 -1.342) 1.343 8.541 ( -3.845 0.000 -0.204) 3.850 8.687 ( -0.259 0.000 0.972) 1.005 8.910 ( 7.341 0.000 -1.463) 7.485 8.960 ( 0.221 0.000 0.466) 0.516 9.052 ( -2.571 0.000 -0.662) 2.655 9.348 ( -5.493 0.000 4.593) 7.160 19.019 ( 0.229 0.000 -0.333) 0.404 19.040 ( 0.994 0.000 0.383) 1.066 19.229 ( 0.471 0.000 0.278) 0.547 19.611 ( -0.019 0.000 0.518) 0.518 20.225 ( 0.219 0.000 -1.296) 1.314 20.478 ( -2.995 0.000 -1.584) 3.388 20.785 ( 5.877 0.000 1.720) 6.124 21.097 ( -5.889 0.000 -1.711) 6.133 ======================= Grid point 9 (6/128) ======================= q-point: ( 0.00 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 0.000 24.377 0.000) 24.377 0.504 ( 0.000 26.637 0.000) 26.637 0.789 ( 0.000 40.222 0.000) 40.222 1.959 ( 0.000 -4.535 0.000) 4.535 2.514 ( 0.000 -21.228 0.000) 21.228 2.675 ( 0.000 0.597 0.000) 0.597 2.846 ( 0.000 -1.414 0.000) 1.414 2.886 ( 0.000 2.266 0.000) 2.266 2.944 ( 0.000 3.049 0.000) 3.049 3.117 ( 0.000 -2.929 0.000) 2.929 3.290 ( 0.000 -1.299 0.000) 1.299 3.367 ( 0.000 -4.218 0.000) 4.218 3.445 ( 0.000 10.848 0.000) 10.848 3.595 ( 0.000 -8.751 0.000) 8.751 3.819 ( 0.000 -8.269 0.000) 8.269 3.826 ( 0.000 3.620 0.000) 3.620 4.032 ( 0.000 -5.970 0.000) 5.970 4.124 ( 0.000 -10.493 0.000) 10.493 4.232 ( 0.000 9.550 0.000) 9.550 4.321 ( 0.000 -2.415 0.000) 2.415 4.372 ( 0.000 3.081 0.000) 3.081 4.448 ( 0.000 3.737 0.000) 3.737 4.473 ( 0.000 8.412 0.000) 8.412 4.670 ( 0.000 -1.879 0.000) 1.879 4.934 ( 0.000 5.981 0.000) 5.981 4.977 ( 0.000 -1.377 0.000) 1.377 5.061 ( 0.000 -0.139 0.000) 0.139 5.079 ( 0.000 0.741 0.000) 0.741 5.079 ( 0.000 1.169 0.000) 1.169 5.344 ( 0.000 -1.027 0.000) 1.027 5.577 ( 0.000 -1.219 0.000) 1.219 5.593 ( 0.000 -13.839 0.000) 13.839 5.666 ( 0.000 3.572 0.000) 3.572 5.822 ( 0.000 -0.281 0.000) 0.281 6.007 ( 0.000 -3.658 0.000) 3.658 6.035 ( 0.000 4.328 0.000) 4.328 6.242 ( 0.000 3.139 0.000) 3.139 6.289 ( 0.000 2.631 0.000) 2.631 6.312 ( 0.000 -2.536 0.000) 2.536 6.318 ( 0.000 -2.163 0.000) 2.163 6.522 ( 0.000 11.699 0.000) 11.699 6.696 ( 0.000 5.761 0.000) 5.761 6.932 ( 0.000 2.985 0.000) 2.985 7.199 ( 0.000 -1.060 0.000) 1.060 7.337 ( 0.000 -7.597 0.000) 7.597 7.402 ( 0.000 -0.665 0.000) 0.665 7.439 ( 0.000 -0.623 0.000) 0.623 7.561 ( 0.000 -6.222 0.000) 6.222 7.598 ( 0.000 -1.208 0.000) 1.208 7.704 ( 0.000 -3.239 0.000) 3.239 7.751 ( 0.000 3.099 0.000) 3.099 7.935 ( 0.000 -0.352 0.000) 0.352 7.967 ( 0.000 0.983 0.000) 0.983 8.069 ( 0.000 0.738 0.000) 0.738 8.128 ( 0.000 6.486 0.000) 6.486 8.209 ( 0.000 -4.033 0.000) 4.033 8.319 ( 0.000 -4.017 0.000) 4.017 8.351 ( 0.000 4.093 0.000) 4.093 8.602 ( 0.000 0.102 0.000) 0.102 8.797 ( 0.000 -3.632 0.000) 3.632 8.901 ( 0.000 1.995 0.000) 1.995 8.946 ( 0.000 2.474 0.000) 2.474 9.173 ( 0.000 0.551 0.000) 0.551 9.332 ( 0.000 -1.753 0.000) 1.753 18.856 ( 0.000 2.189 0.000) 2.189 19.041 ( 0.000 3.596 0.000) 3.596 19.164 ( 0.000 -2.667 0.000) 2.667 19.521 ( 0.000 -4.257 0.000) 4.257 20.300 ( 0.000 0.181 0.000) 0.181 20.303 ( 0.000 -0.073 0.000) 0.073 21.012 ( 0.000 5.033 0.000) 5.033 21.512 ( 0.000 -3.322 0.000) 3.322 ======================= Grid point 10 (7/128) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( 14.140 11.668 15.643) 24.099 0.664 ( 14.450 17.510 5.305) 23.314 1.319 ( 32.883 25.236 14.980) 44.074 2.010 ( 5.710 -4.120 -1.464) 7.192 2.455 ( -7.523 -18.620 6.369) 21.068 2.671 ( 0.429 -0.889 -3.581) 3.715 2.809 ( 1.105 -0.974 -5.842) 6.025 2.885 ( 0.495 1.037 -7.977) 8.059 2.913 ( -2.407 1.129 -4.795) 5.483 3.150 ( 2.410 -2.581 -2.178) 4.149 3.203 ( -2.092 4.332 1.889) 5.168 3.407 ( 1.467 1.739 -1.327) 2.634 3.457 ( 3.281 -2.272 -4.644) 6.123 3.639 ( 3.447 -5.236 -3.352) 7.108 3.791 ( 0.120 -7.976 -3.280) 8.625 3.808 ( -4.059 2.982 -0.693) 5.084 4.027 ( 4.522 2.794 4.672) 7.077 4.110 ( -2.181 -10.473 3.707) 11.322 4.224 ( -0.709 7.301 0.994) 7.402 4.273 ( -5.187 2.611 -3.916) 7.004 4.329 ( 0.258 1.095 0.839) 1.403 4.395 ( 2.170 -0.079 -2.895) 3.619 4.528 ( -3.863 -1.008 1.054) 4.129 4.752 ( 3.977 -0.510 1.552) 4.299 4.804 ( -3.611 1.025 1.779) 4.153 4.928 ( -4.300 5.589 -1.986) 7.326 5.027 ( -0.549 5.353 1.714) 5.648 5.181 ( 0.927 -0.040 4.101) 4.205 5.196 ( 2.906 0.024 4.523) 5.376 5.343 ( -0.851 -0.614 1.995) 2.254 5.480 ( -1.554 -2.341 -2.458) 3.733 5.612 ( -3.728 -0.041 -2.310) 4.386 5.704 ( -2.138 -2.118 7.973) 8.522 5.863 ( 1.941 -0.936 -0.239) 2.168 5.942 ( -4.203 0.689 -7.604) 8.715 6.069 ( 3.491 -0.158 -1.252) 3.712 6.191 ( -3.474 5.620 -1.012) 6.684 6.260 ( -1.931 -0.847 0.700) 2.222 6.296 ( 1.731 -0.816 1.561) 2.470 6.436 ( 6.676 -1.922 3.062) 7.592 6.551 ( 2.022 6.612 2.046) 7.211 6.683 ( 3.307 1.276 0.975) 3.676 6.954 ( 1.840 1.494 -0.070) 2.371 7.151 ( -9.237 -4.426 -6.761) 12.273 7.238 ( 2.839 -4.737 -3.342) 6.455 7.402 ( -1.454 -0.243 -0.224) 1.491 7.447 ( -4.232 0.634 -0.192) 4.284 7.526 ( -3.363 -4.494 3.622) 6.679 7.581 ( -2.895 -4.825 3.748) 6.761 7.644 ( -1.251 1.154 1.301) 2.142 7.789 ( -0.556 2.594 -0.622) 2.725 7.886 ( -4.482 0.830 0.727) 4.616 8.032 ( 1.678 0.529 4.804) 5.116 8.094 ( 2.936 1.137 0.726) 3.231 8.141 ( 3.599 2.622 -13.294) 14.020 8.169 ( -4.189 -1.144 -1.679) 4.656 8.275 ( 2.162 -1.940 -3.232) 4.345 8.416 ( 0.776 4.729 2.972) 5.639 8.481 ( 2.656 3.856 -9.537) 10.624 8.712 ( -4.827 -1.676 -8.333) 9.775 8.862 ( -1.660 1.457 1.020) 2.433 8.949 ( -0.267 3.114 -0.129) 3.128 9.244 ( -4.155 -7.347 13.604) 16.010 9.381 ( -0.251 -2.361 9.596) 9.885 18.877 ( 2.430 3.287 0.783) 4.162 19.035 ( 0.077 2.750 -0.848) 2.879 19.212 ( 2.112 0.347 0.337) 2.167 19.545 ( 1.276 -4.907 0.837) 5.139 20.321 ( 0.684 0.025 1.616) 1.755 20.355 ( 3.597 0.464 -0.179) 3.631 20.934 ( -5.475 3.710 -2.922) 7.230 21.448 ( -3.151 -5.665 -5.246) 8.339 ======================= Grid point 11 (8/128) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 16.198 9.741 12.774) 22.814 1.092 ( 20.136 5.142 12.521) 24.262 2.014 ( 16.363 0.920 8.292) 18.367 2.163 ( 15.948 2.224 3.858) 16.558 2.402 ( 1.309 -9.238 3.366) 9.919 2.607 ( -4.085 -1.601 -0.761) 4.453 2.776 ( 1.476 4.090 -9.447) 10.399 2.824 ( 3.240 -1.681 -10.837) 11.435 2.875 ( -0.181 0.333 -0.169) 0.415 3.113 ( -3.817 3.690 -0.416) 5.325 3.210 ( 2.139 -0.291 -5.136) 5.571 3.416 ( -2.203 -3.172 -4.881) 6.224 3.449 ( 0.079 -6.777 -0.414) 6.790 3.642 ( -0.902 1.722 -5.830) 6.145 3.734 ( 1.976 -1.662 0.256) 2.595 3.865 ( 4.735 -4.994 -1.258) 6.996 4.078 ( -3.642 -7.132 2.409) 8.363 4.158 ( 3.813 0.908 -0.595) 3.965 4.181 ( 0.177 -0.692 -2.405) 2.509 4.239 ( -0.204 3.561 6.800) 7.678 4.345 ( -1.551 0.275 1.890) 2.460 4.414 ( 4.605 -4.098 -1.331) 6.307 4.485 ( 1.541 4.909 -1.935) 5.497 4.786 ( -0.631 -2.280 2.816) 3.677 4.828 ( -3.730 4.589 -2.002) 6.243 4.834 ( 1.568 3.625 3.539) 5.304 4.976 ( -6.349 11.144 2.313) 13.032 5.162 ( -2.282 1.839 0.277) 2.944 5.251 ( -3.547 -0.829 1.657) 4.002 5.347 ( -0.922 -0.278 3.145) 3.289 5.415 ( -4.295 -0.196 -2.784) 5.122 5.485 ( -6.206 1.501 -2.777) 6.962 5.637 ( -7.051 7.876 0.651) 10.591 5.797 ( -2.448 -3.218 1.217) 4.222 5.970 ( 8.644 -3.654 -2.855) 9.809 6.099 ( -0.156 1.398 1.835) 2.312 6.166 ( -0.343 3.661 1.714) 4.057 6.265 ( 1.867 -2.131 0.693) 2.917 6.325 ( -2.546 -0.522 3.898) 4.684 6.569 ( 2.285 -2.854 -1.084) 3.813 6.607 ( 4.728 3.015 4.083) 6.937 6.834 ( 7.034 -5.277 2.952) 9.276 6.911 ( -7.490 -1.326 -4.519) 8.848 6.999 ( 2.463 -1.777 -2.679) 4.050 7.253 ( -0.884 -4.964 -3.570) 6.178 7.314 ( -6.003 -0.323 -1.693) 6.246 7.360 ( -2.081 -1.137 -0.333) 2.395 7.453 ( -4.260 -2.160 0.159) 4.779 7.573 ( -2.728 -3.980 3.666) 6.060 7.664 ( 0.919 2.138 6.231) 6.651 7.746 ( -2.650 -1.388 0.326) 3.009 7.797 ( -4.741 4.449 -3.572) 7.418 7.993 ( -4.771 -0.344 -3.083) 5.691 8.057 ( -2.522 0.261 1.829) 3.126 8.091 ( -0.120 5.342 -9.292) 10.719 8.184 ( 4.082 1.040 0.800) 4.288 8.388 ( 6.310 1.309 -5.011) 8.163 8.423 ( 4.201 -5.043 -0.937) 6.631 8.524 ( -0.640 1.877 -5.232) 5.595 8.584 ( -0.001 0.934 -0.177) 0.951 8.817 ( -2.811 2.229 -0.387) 3.608 8.957 ( 0.619 2.609 1.116) 2.904 9.212 ( -5.905 -4.976 5.783) 9.647 9.429 ( -3.496 -2.489 11.143) 11.941 18.949 ( 3.617 3.241 0.992) 4.957 19.036 ( 0.904 2.365 -0.695) 2.625 19.237 ( 0.624 3.094 -0.139) 3.159 19.577 ( 1.314 -2.432 1.442) 3.117 20.304 ( -1.356 2.113 -2.575) 3.596 20.461 ( 6.096 -0.247 2.264) 6.508 20.779 ( -7.508 1.615 -4.084) 8.698 21.328 ( -5.600 -7.855 -3.779) 10.361 ======================= Grid point 12 (9/128) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 15.745 5.537 12.897) 21.092 1.536 ( 16.141 6.373 10.203) 20.131 2.085 ( -0.733 0.816 1.339) 1.731 2.305 ( -0.891 -5.760 -8.794) 10.550 2.590 ( 9.376 -0.911 -2.187) 9.670 2.651 ( -0.869 -0.292 4.000) 4.104 2.786 ( 2.948 4.093 -7.455) 9.001 2.812 ( 3.659 -2.481 -4.079) 6.015 2.894 ( -1.511 5.273 4.402) 7.033 3.023 ( -8.021 -0.504 -5.279) 9.615 3.225 ( 12.478 1.994 8.552) 15.258 3.391 ( 1.187 -4.088 -6.621) 7.871 3.475 ( 4.574 -3.574 3.283) 6.669 3.577 ( 1.815 -5.609 -5.075) 7.779 3.817 ( 4.189 -6.546 -0.366) 7.781 3.827 ( -6.880 -3.660 -5.299) 9.424 4.050 ( 0.222 -3.028 2.509) 3.939 4.194 ( -4.648 -4.010 4.678) 7.719 4.196 ( 1.943 -0.656 -2.237) 3.035 4.248 ( 5.242 -1.227 -1.200) 5.515 4.385 ( 1.942 -2.001 -0.802) 2.901 4.478 ( -1.270 7.457 -2.476) 7.960 4.599 ( 9.431 -1.713 2.187) 9.832 4.764 ( -0.682 2.618 -1.906) 3.309 4.795 ( -1.081 6.769 3.926) 7.899 4.841 ( -3.478 1.865 3.702) 5.411 4.906 ( -2.487 4.794 3.802) 6.604 5.022 ( -11.673 4.116 -3.336) 12.819 5.144 ( -1.312 2.870 -1.685) 3.577 5.260 ( -3.231 4.092 -4.737) 7.044 5.338 ( -3.066 1.141 2.822) 4.320 5.450 ( 0.391 2.498 -1.438) 2.908 5.562 ( -1.331 6.336 -0.652) 6.507 5.756 ( -4.015 -2.493 1.893) 5.091 6.052 ( -8.941 -1.841 -0.283) 9.133 6.116 ( -0.962 1.431 1.652) 2.388 6.171 ( 6.284 -2.602 4.822) 8.338 6.304 ( 2.608 -2.705 -2.275) 4.392 6.314 ( 0.080 0.986 3.087) 3.241 6.577 ( 0.944 -4.604 -0.650) 4.744 6.726 ( -4.253 0.495 -5.047) 6.618 6.748 ( 4.505 -0.359 5.185) 6.878 6.965 ( -0.211 -4.886 0.326) 4.902 7.028 ( 1.571 -4.280 2.210) 5.067 7.154 ( -3.712 1.177 -3.303) 5.106 7.249 ( -1.621 0.102 0.583) 1.726 7.298 ( -2.094 -0.418 -1.142) 2.422 7.371 ( -5.606 -2.764 0.800) 6.302 7.586 ( -6.915 1.017 -2.465) 7.411 7.615 ( 4.354 -1.262 -0.987) 4.639 7.758 ( 2.266 -0.120 7.772) 8.096 7.766 ( 2.240 -0.750 -2.125) 3.177 7.877 ( -4.912 -0.521 -3.647) 6.141 8.030 ( -1.157 1.627 0.674) 2.107 8.084 ( 2.849 -0.191 -0.165) 2.860 8.224 ( 1.686 3.639 -7.450) 8.461 8.371 ( -2.850 0.711 -0.710) 3.022 8.414 ( -0.198 -0.595 -3.949) 3.999 8.562 ( -0.923 -5.057 -1.553) 5.370 8.621 ( 4.073 -0.824 1.796) 4.526 8.809 ( 3.740 4.006 -0.370) 5.492 8.982 ( 1.170 2.675 0.763) 3.018 9.130 ( -4.938 -0.979 1.740) 5.326 9.408 ( -6.593 -2.088 9.249) 11.549 18.997 ( 0.962 1.258 -0.472) 1.652 19.081 ( 3.395 4.231 1.029) 5.522 19.236 ( -0.491 3.161 -0.355) 3.219 19.619 ( 1.656 0.967 1.592) 2.492 20.256 ( -0.935 1.510 -3.131) 3.599 20.580 ( -2.378 -2.383 -2.315) 4.086 20.628 ( 2.040 1.065 0.890) 2.467 21.182 ( -6.870 -7.334 -2.430) 10.338 ======================= Grid point 13 (10/128) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 6.118 2.647 5.351) 8.548 1.875 ( 10.812 5.826 10.329) 16.048 2.069 ( -2.048 9.666 -2.305) 10.146 2.261 ( 5.009 3.280 -8.621) 10.496 2.576 ( -10.514 0.387 -0.297) 10.525 2.593 ( -2.705 1.997 -0.935) 3.490 2.688 ( -1.841 0.900 -5.220) 5.608 2.818 ( 0.304 -5.422 -0.588) 5.462 2.916 ( 0.409 3.047 -0.013) 3.074 3.051 ( 9.464 1.405 10.108) 13.918 3.295 ( -5.254 0.892 -8.305) 9.868 3.505 ( 5.775 -7.617 -5.684) 11.122 3.568 ( -1.766 -11.284 4.915) 12.434 3.669 ( 0.219 -5.238 -1.701) 5.512 3.739 ( 10.239 -6.689 5.142) 13.268 3.868 ( 0.200 -6.752 -0.627) 6.784 4.091 ( 1.217 1.503 4.511) 4.908 4.136 ( -2.339 -2.028 0.370) 3.118 4.234 ( 3.475 -1.566 -2.071) 4.338 4.307 ( 1.080 -6.606 -2.800) 7.256 4.373 ( -1.808 3.700 -1.343) 4.332 4.432 ( -0.810 -0.592 -0.177) 1.019 4.599 ( -4.292 -0.934 0.107) 4.394 4.689 ( -8.352 9.353 -1.631) 12.645 4.783 ( 0.070 -5.096 0.887) 5.173 4.848 ( 2.736 8.263 1.073) 8.771 4.921 ( 4.418 -0.479 -0.215) 4.449 5.013 ( 0.261 7.122 6.714) 9.791 5.099 ( 0.205 1.350 -5.049) 5.230 5.256 ( 3.650 7.790 0.281) 8.607 5.301 ( -1.582 2.814 0.913) 3.355 5.412 ( -2.979 4.145 -2.172) 5.547 5.542 ( 0.378 3.562 -1.883) 4.046 5.702 ( -1.078 2.572 1.013) 2.967 5.802 ( -11.598 1.010 -0.088) 11.642 6.138 ( 0.395 -1.376 2.071) 2.518 6.288 ( -1.559 -2.582 -0.995) 3.176 6.301 ( 2.668 4.352 3.968) 6.465 6.357 ( 2.321 -0.833 -2.874) 3.787 6.616 ( 1.115 -8.563 3.538) 9.332 6.656 ( 0.287 -3.977 -3.844) 5.538 6.811 ( -0.903 -1.228 0.998) 1.822 6.959 ( 0.706 -2.376 2.646) 3.626 7.014 ( -3.099 -2.300 -0.066) 3.860 7.142 ( 3.272 -1.531 0.046) 3.613 7.198 ( -1.914 -0.379 0.825) 2.119 7.256 ( -4.206 -0.934 -2.608) 5.036 7.298 ( -0.762 2.737 -1.757) 3.340 7.477 ( -1.307 4.500 -0.572) 4.721 7.699 ( 1.918 -0.137 0.723) 2.054 7.772 ( -1.751 -4.509 -2.436) 5.416 7.810 ( 1.746 -0.874 1.775) 2.639 7.888 ( 4.400 -0.699 4.781) 6.536 8.000 ( -2.516 -2.285 -0.472) 3.431 8.144 ( -0.430 1.833 -5.922) 6.214 8.169 ( 2.901 1.225 0.134) 3.152 8.317 ( -2.588 -1.341 -0.716) 3.002 8.401 ( 0.071 -0.478 -0.062) 0.488 8.494 ( -2.502 -1.812 -0.920) 3.223 8.675 ( 0.369 -1.172 1.101) 1.650 8.909 ( 4.215 0.790 -0.827) 4.367 9.018 ( 3.254 2.221 -2.088) 4.459 9.066 ( -2.962 3.071 1.933) 4.684 9.335 ( -5.104 -1.351 4.345) 6.837 19.002 ( 0.165 0.567 -0.291) 0.659 19.151 ( 2.574 6.952 0.897) 7.467 19.214 ( -1.352 0.553 -0.494) 1.542 19.656 ( 0.903 3.791 0.756) 3.970 20.230 ( 0.012 0.530 -1.337) 1.438 20.459 ( -3.440 -1.978 -1.727) 4.328 20.757 ( 5.028 -2.491 1.530) 5.817 21.042 ( -5.054 -5.440 -1.318) 7.542 ======================= Grid point 18 (11/128) ======================= q-point: ( 0.00 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.931 ( 0.000 24.306 0.000) 24.306 1.017 ( 0.000 26.687 0.000) 26.687 1.476 ( 0.000 25.327 0.000) 25.327 1.803 ( 0.000 -11.210 0.000) 11.210 2.126 ( 0.000 -13.868 0.000) 13.868 2.682 ( 0.000 -0.077 0.000) 0.077 2.776 ( 0.000 -4.741 0.000) 4.741 2.846 ( 0.000 -11.986 0.000) 11.986 3.031 ( 0.000 5.316 0.000) 5.316 3.097 ( 0.000 0.745 0.000) 0.745 3.259 ( 0.000 -4.487 0.000) 4.487 3.284 ( 0.000 0.769 0.000) 0.769 3.405 ( 0.000 -4.457 0.000) 4.457 3.504 ( 0.000 -5.004 0.000) 5.004 3.697 ( 0.000 -4.414 0.000) 4.414 3.784 ( 0.000 -10.089 0.000) 10.089 4.014 ( 0.000 4.387 0.000) 4.387 4.140 ( 0.000 10.644 0.000) 10.644 4.256 ( 0.000 -2.410 0.000) 2.410 4.383 ( 0.000 4.186 0.000) 4.186 4.450 ( 0.000 5.608 0.000) 5.608 4.505 ( 0.000 1.817 0.000) 1.817 4.586 ( 0.000 3.205 0.000) 3.205 4.636 ( 0.000 -2.010 0.000) 2.010 4.958 ( 0.000 -3.229 0.000) 3.229 4.964 ( 0.000 -2.367 0.000) 2.367 5.071 ( 0.000 2.028 0.000) 2.028 5.072 ( 0.000 1.466 0.000) 1.466 5.168 ( 0.000 5.730 0.000) 5.730 5.339 ( 0.000 0.212 0.000) 0.212 5.351 ( 0.000 -9.776 0.000) 9.776 5.492 ( 0.000 -6.692 0.000) 6.692 5.739 ( 0.000 3.264 0.000) 3.264 5.870 ( 0.000 5.782 0.000) 5.782 5.911 ( 0.000 -5.744 0.000) 5.744 6.091 ( 0.000 2.338 0.000) 2.338 6.189 ( 0.000 -7.166 0.000) 7.166 6.244 ( 0.000 -3.806 0.000) 3.806 6.363 ( 0.000 7.014 0.000) 7.014 6.413 ( 0.000 5.875 0.000) 5.875 6.764 ( 0.000 12.012 0.000) 12.012 6.846 ( 0.000 10.005 0.000) 10.005 6.962 ( 0.000 -0.382 0.000) 0.382 7.168 ( 0.000 -2.541 0.000) 2.541 7.181 ( 0.000 -7.489 0.000) 7.489 7.290 ( 0.000 -10.326 0.000) 10.326 7.439 ( 0.000 1.576 0.000) 1.576 7.525 ( 0.000 1.352 0.000) 1.352 7.552 ( 0.000 -3.302 0.000) 3.302 7.640 ( 0.000 -3.433 0.000) 3.433 7.831 ( 0.000 5.281 0.000) 5.281 7.938 ( 0.000 0.578 0.000) 0.578 7.964 ( 0.000 -0.875 0.000) 0.875 8.029 ( 0.000 -3.428 0.000) 3.428 8.145 ( 0.000 -2.113 0.000) 2.113 8.214 ( 0.000 -4.750 0.000) 4.750 8.303 ( 0.000 7.952 0.000) 7.952 8.432 ( 0.000 3.382 0.000) 3.382 8.603 ( 0.000 0.325 0.000) 0.325 8.721 ( 0.000 -4.211 0.000) 4.211 8.939 ( 0.000 1.734 0.000) 1.734 8.974 ( 0.000 0.337 0.000) 0.337 9.196 ( 0.000 1.894 0.000) 1.894 9.289 ( 0.000 -2.531 0.000) 2.531 18.916 ( 0.000 3.967 0.000) 3.967 19.094 ( 0.000 -4.439 0.000) 4.439 19.137 ( 0.000 6.268 0.000) 6.268 19.411 ( 0.000 -6.862 0.000) 6.862 20.303 ( 0.000 0.112 0.000) 0.112 20.303 ( 0.000 0.115 0.000) 0.115 21.137 ( 0.000 7.588 0.000) 7.588 21.420 ( 0.000 -6.072 0.000) 6.072 ======================= Grid point 19 (12/128) ======================= q-point: ( 0.11 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 0.188 21.169 12.240) 24.454 1.051 ( 9.243 21.446 -1.981) 23.437 1.733 ( 10.404 4.029 11.891) 16.305 1.857 ( 6.783 -11.961 -3.133) 14.103 2.170 ( 7.014 2.388 5.667) 9.328 2.657 ( -0.887 -0.445 -5.098) 5.194 2.745 ( 3.432 -4.157 -11.309) 12.528 2.878 ( 2.724 -4.503 -3.898) 6.549 2.995 ( -3.522 5.998 0.846) 7.007 3.116 ( 2.486 -0.427 -3.008) 3.926 3.294 ( 0.096 1.336 5.314) 5.480 3.320 ( 3.236 -5.391 -7.538) 9.816 3.398 ( 1.319 -8.027 -5.417) 9.773 3.471 ( 0.614 -3.536 -0.007) 3.589 3.697 ( 0.627 -3.526 -2.115) 4.159 3.805 ( 0.111 -9.735 4.387) 10.679 3.964 ( -3.797 4.000 0.934) 5.593 4.146 ( -0.135 5.599 2.912) 6.313 4.205 ( -5.389 -2.537 2.761) 6.565 4.342 ( -6.709 -1.936 0.380) 6.993 4.408 ( -1.380 6.659 -5.514) 8.755 4.467 ( -0.404 8.628 5.861) 10.438 4.562 ( 1.809 2.387 -0.429) 3.025 4.668 ( -1.891 -5.920 -0.494) 6.234 4.902 ( 2.223 5.555 0.275) 5.990 4.989 ( -3.431 2.116 -2.625) 4.811 5.102 ( 0.321 1.347 4.538) 4.745 5.182 ( 5.702 -1.126 5.437) 7.959 5.235 ( 4.469 5.527 -0.700) 7.142 5.339 ( -0.871 -0.061 3.235) 3.351 5.400 ( 0.639 -6.784 4.572) 8.206 5.496 ( 2.743 -7.784 -4.824) 9.560 5.716 ( -2.126 1.671 1.077) 2.910 5.831 ( 0.632 -1.633 -6.509) 6.741 5.918 ( -2.127 0.917 4.100) 4.709 6.106 ( 1.443 0.344 -0.334) 1.520 6.167 ( 0.281 -3.242 0.013) 3.254 6.327 ( -1.572 5.825 -1.229) 6.158 6.350 ( 4.050 -5.146 0.594) 6.575 6.398 ( -0.776 5.669 1.546) 5.927 6.707 ( -4.981 8.719 -1.542) 10.159 6.803 ( -1.336 9.497 1.640) 9.730 6.964 ( -2.236 -0.803 1.477) 2.798 7.053 ( -5.725 -5.102 -7.873) 10.990 7.134 ( -0.371 -5.391 -4.532) 7.053 7.322 ( -2.228 -10.473 8.411) 13.615 7.438 ( -1.205 0.889 1.340) 2.010 7.477 ( -3.983 2.161 -1.491) 4.770 7.526 ( -3.550 -2.494 0.239) 4.345 7.617 ( -0.940 -3.458 2.011) 4.109 7.853 ( -1.469 4.712 1.334) 5.113 7.942 ( 0.572 3.804 0.139) 3.850 8.014 ( 0.667 -1.791 3.853) 4.301 8.071 ( 3.892 -2.979 -0.177) 4.905 8.102 ( -1.566 -1.709 -3.120) 3.886 8.187 ( 0.927 -4.652 -4.366) 6.447 8.290 ( 2.563 6.518 -7.418) 10.202 8.488 ( 2.089 -1.632 -2.331) 3.530 8.535 ( -1.786 5.475 -2.709) 6.365 8.691 ( -1.337 -1.289 -5.980) 6.262 8.894 ( -2.758 2.227 1.462) 3.834 8.984 ( -0.840 -0.294 1.144) 1.449 9.186 ( -3.053 1.085 5.814) 6.656 9.320 ( -0.398 -3.834 7.478) 8.413 18.951 ( 3.005 4.356 0.690) 5.336 19.084 ( -0.078 0.649 -1.247) 1.408 19.212 ( 4.996 1.506 1.520) 5.435 19.431 ( 2.007 -6.760 0.626) 7.080 20.327 ( 1.489 0.598 2.477) 2.951 20.354 ( 3.774 -0.431 0.769) 3.876 21.045 ( -7.302 7.238 -3.527) 10.870 21.331 ( -6.403 -6.693 -4.317) 10.220 ======================= Grid point 20 (13/128) ======================= q-point: ( 0.22 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 13.062 9.517 17.284) 23.663 1.294 ( 14.173 14.558 4.784) 20.873 1.883 ( 0.572 -14.202 10.401) 17.613 2.014 ( 12.997 -12.260 -5.521) 18.701 2.506 ( 9.577 9.999 1.593) 13.937 2.620 ( 8.188 7.044 -0.286) 10.805 2.750 ( 5.973 -2.979 -11.941) 13.680 2.884 ( 1.744 6.152 -3.173) 7.139 2.941 ( -1.355 4.116 0.179) 4.337 3.115 ( -0.630 -2.215 -4.699) 5.233 3.247 ( -2.295 0.128 -4.350) 4.920 3.298 ( -3.341 -5.447 -0.328) 6.399 3.355 ( 0.112 -3.717 -6.644) 7.613 3.552 ( 3.192 -9.362 0.309) 9.896 3.661 ( -1.960 0.200 -2.320) 3.044 3.833 ( -1.878 -9.913 3.360) 10.635 3.975 ( 2.954 3.171 4.272) 6.085 4.135 ( -2.167 -3.830 2.390) 5.007 4.185 ( 2.108 1.626 -1.028) 2.854 4.219 ( -5.179 -2.300 3.174) 6.496 4.387 ( 2.128 2.917 -3.635) 5.123 4.501 ( 0.341 10.657 2.842) 11.035 4.599 ( 1.782 4.567 1.154) 5.036 4.649 ( 0.800 -8.337 -1.806) 8.568 4.893 ( -4.139 2.708 -1.493) 5.166 4.932 ( -0.777 1.697 3.534) 3.996 5.113 ( -3.658 5.093 2.797) 6.866 5.249 ( -0.857 1.013 0.363) 1.376 5.298 ( 1.058 8.192 0.310) 8.266 5.340 ( -1.366 0.014 1.521) 2.045 5.406 ( -0.898 -1.022 -0.632) 1.500 5.489 ( -0.760 -1.402 -2.755) 3.183 5.699 ( -1.471 0.328 3.678) 3.975 5.773 ( -2.997 -0.962 -3.314) 4.570 5.941 ( 4.352 1.844 0.865) 4.805 6.147 ( 0.287 3.308 1.454) 3.625 6.159 ( -1.175 -6.199 1.898) 6.589 6.275 ( -3.399 4.292 -0.539) 5.502 6.338 ( -2.503 0.461 3.200) 4.089 6.469 ( 2.777 -4.300 0.640) 5.158 6.645 ( 0.980 0.224 -1.643) 1.926 6.807 ( -2.401 1.117 -1.014) 2.836 6.871 ( -2.450 -2.156 -1.443) 3.569 6.960 ( 0.970 -1.937 -3.338) 3.979 7.140 ( 2.028 -4.023 0.754) 4.568 7.300 ( -4.215 -3.337 1.348) 5.542 7.355 ( -6.589 -2.551 3.823) 8.034 7.391 ( -4.619 -1.448 -2.272) 5.348 7.493 ( -0.068 -0.369 3.052) 3.075 7.640 ( -0.132 -4.363 5.184) 6.777 7.796 ( -3.961 5.838 1.516) 7.216 7.894 ( -4.260 4.903 -5.654) 8.612 7.993 ( -1.797 -0.768 0.214) 1.966 8.019 ( -4.360 -2.523 -1.420) 5.234 8.185 ( 5.076 -0.698 1.729) 5.408 8.213 ( 0.458 2.356 -6.661) 7.080 8.300 ( 6.478 -1.826 -6.919) 9.652 8.425 ( 0.543 -0.666 -6.202) 6.262 8.567 ( 0.492 2.743 -2.189) 3.544 8.614 ( -0.705 1.847 -3.330) 3.873 8.859 ( -1.836 2.281 1.515) 3.297 8.978 ( -0.656 -1.778 1.852) 2.649 9.173 ( -2.823 2.268 5.768) 6.810 9.359 ( -2.736 -4.623 9.521) 10.932 19.018 ( 2.675 3.617 0.002) 4.498 19.081 ( 1.008 1.564 -0.649) 1.971 19.302 ( 3.300 3.812 0.601) 5.077 19.504 ( 4.441 -5.150 1.757) 7.024 20.353 ( -0.526 2.863 -0.292) 2.925 20.448 ( 4.620 -1.337 1.680) 5.094 20.845 ( -9.231 5.489 -4.238) 11.546 21.156 ( -7.461 -9.411 -4.004) 12.660 ======================= Grid point 21 (14/128) ======================= 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 12.047 7.971 14.533) 20.490 1.658 ( 15.160 6.079 10.541) 19.439 2.025 ( 8.721 -5.341 5.462) 11.594 2.245 ( 13.842 -4.052 -6.366) 15.765 2.497 ( 0.191 -1.796 -1.482) 2.336 2.722 ( 1.425 -4.296 -6.525) 7.941 2.781 ( -0.923 8.738 -6.004) 10.642 2.904 ( 0.598 6.774 -4.468) 8.137 2.957 ( -4.569 0.002 -3.788) 5.935 3.106 ( 0.185 8.778 1.202) 8.862 3.223 ( 9.330 -2.790 6.405) 11.655 3.254 ( 0.126 -8.338 -2.116) 8.603 3.343 ( 2.739 -6.775 -2.308) 7.663 3.521 ( -3.177 -3.418 1.432) 4.881 3.674 ( 3.441 -4.201 -4.099) 6.804 3.738 ( -8.575 -6.332 -1.386) 10.750 4.024 ( -2.562 -0.584 7.939) 8.363 4.120 ( -2.135 -4.966 2.000) 5.764 4.201 ( 2.280 2.113 -4.732) 5.662 4.262 ( 5.948 1.757 -0.698) 6.242 4.396 ( 0.550 2.723 -1.990) 3.417 4.526 ( 1.143 -1.060 -3.676) 3.993 4.625 ( -0.988 1.191 1.864) 2.423 4.692 ( 3.444 -4.585 -0.681) 5.774 4.822 ( -0.406 3.343 -0.494) 3.404 4.910 ( -4.880 0.178 2.568) 5.518 5.045 ( -6.327 6.935 5.550) 10.905 5.154 ( -3.337 5.615 -1.500) 6.702 5.281 ( -1.205 3.710 -2.590) 4.682 5.317 ( -2.612 5.737 -6.022) 8.718 5.345 ( -1.706 1.847 5.675) 6.207 5.493 ( 2.484 1.335 -3.539) 4.525 5.697 ( -2.333 5.413 -1.286) 6.033 5.726 ( -0.160 0.465 2.544) 2.591 6.031 ( -10.235 -0.652 3.377) 10.797 6.079 ( 6.690 -5.112 4.092) 9.361 6.174 ( -0.522 3.657 0.706) 3.761 6.255 ( 1.461 -1.200 1.216) 2.248 6.348 ( 0.551 1.881 2.375) 3.079 6.477 ( -0.201 -4.798 -2.987) 5.655 6.660 ( -3.425 -5.995 -1.742) 7.121 6.717 ( 1.991 -4.719 -2.105) 5.537 6.891 ( -0.616 -0.950 2.420) 2.672 6.970 ( 0.048 -2.302 0.589) 2.376 7.188 ( 0.524 2.405 -1.512) 2.889 7.218 ( -3.092 -1.811 1.927) 4.069 7.297 ( -4.176 -3.660 0.212) 5.557 7.302 ( -0.101 -1.308 2.577) 2.892 7.546 ( 2.859 -0.861 3.858) 4.878 7.641 ( -4.410 0.104 1.095) 4.545 7.750 ( -0.659 1.220 1.954) 2.396 7.798 ( -0.771 3.744 -3.418) 5.128 7.895 ( -3.695 0.019 -4.089) 5.511 7.980 ( -1.473 -4.824 1.775) 5.347 8.144 ( -1.537 4.932 -3.222) 6.088 8.273 ( 3.789 1.022 -4.302) 5.823 8.335 ( -1.026 -3.484 -4.533) 5.808 8.379 ( -0.135 -2.444 -4.783) 5.373 8.546 ( -0.041 2.647 -1.705) 3.149 8.616 ( 1.179 -0.236 0.412) 1.271 8.873 ( 2.629 2.962 0.443) 3.985 8.988 ( 0.925 -2.279 0.211) 2.468 9.164 ( -2.184 4.494 4.542) 6.753 9.350 ( -5.110 -3.924 7.989) 10.264 19.037 ( 0.366 2.639 -0.967) 2.834 19.117 ( 2.031 -0.374 0.207) 2.075 19.358 ( 2.204 8.618 0.623) 8.917 19.613 ( 4.921 -2.345 2.034) 5.818 20.306 ( -2.378 3.917 -2.806) 5.373 20.508 ( -1.345 -4.953 -1.794) 5.437 20.683 ( -2.584 4.957 -0.340) 5.600 21.005 ( -5.715 -10.232 -1.665) 11.838 ======================= Grid point 22 (15/128) ======================= q-point: ( 0.44 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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 4.424 6.762 6.813) 10.570 1.959 ( 8.352 2.573 7.880) 11.767 2.266 ( 9.133 7.874 -1.391) 12.138 2.364 ( 4.053 9.005 -1.796) 10.037 2.546 ( 3.411 -5.390 -1.412) 6.533 2.673 ( -4.337 -2.843 1.970) 5.547 2.696 ( -2.966 7.010 -3.105) 8.221 2.715 ( -5.350 -1.654 -8.550) 10.221 2.990 ( 3.417 4.200 -1.096) 5.524 3.120 ( 3.443 6.194 7.373) 10.226 3.242 ( 0.975 -9.501 -2.916) 9.986 3.329 ( -3.044 -8.703 1.492) 9.340 3.452 ( -5.382 2.913 -5.605) 8.298 3.525 ( 4.618 -10.876 6.278) 13.380 3.560 ( 0.314 -9.469 -2.965) 9.927 3.710 ( 1.604 -8.406 -2.354) 8.875 4.034 ( -2.130 -1.321 4.810) 5.423 4.114 ( 1.282 -3.669 2.328) 4.530 4.209 ( 1.490 -1.634 -3.418) 4.071 4.299 ( -1.095 0.074 -2.955) 3.152 4.403 ( 2.144 3.811 -1.476) 4.615 4.470 ( -3.630 1.842 -1.116) 4.221 4.603 ( -1.413 1.616 0.069) 2.148 4.679 ( -1.579 -3.747 0.703) 4.127 4.812 ( -3.694 3.486 -1.131) 5.204 4.879 ( 2.685 -2.463 -0.199) 3.649 5.017 ( 0.762 7.908 1.778) 8.141 5.169 ( -0.430 8.397 6.911) 10.884 5.231 ( -1.412 9.137 -4.638) 10.343 5.262 ( 0.980 -3.929 -2.271) 4.642 5.366 ( 0.529 1.784 3.318) 3.804 5.498 ( 0.793 3.232 -4.385) 5.505 5.647 ( 1.348 3.322 -3.857) 5.266 5.706 ( -4.959 0.457 2.606) 5.620 5.914 ( -3.801 10.384 4.222) 11.837 6.143 ( -1.167 1.245 2.491) 3.020 6.227 ( 2.589 -2.464 -1.017) 3.716 6.286 ( 1.762 -3.390 -0.571) 3.863 6.397 ( 2.444 -1.125 3.585) 4.482 6.468 ( 1.912 -2.915 -1.170) 3.677 6.555 ( -4.783 -7.315 -3.366) 9.366 6.733 ( -0.492 -6.043 -0.458) 6.080 6.888 ( -0.585 -1.960 1.450) 2.507 6.965 ( -1.366 -2.218 2.551) 3.646 7.145 ( -0.199 0.805 -0.336) 0.895 7.194 ( -2.993 -0.863 -0.414) 3.143 7.272 ( 1.824 2.721 0.752) 3.361 7.335 ( 0.099 0.887 -0.821) 1.212 7.558 ( -1.501 1.693 -1.590) 2.765 7.639 ( 1.589 -4.450 3.098) 5.650 7.742 ( -0.296 2.552 -0.915) 2.728 7.801 ( 2.514 0.106 1.897) 3.151 7.874 ( 0.032 -1.416 1.457) 2.032 7.939 ( -2.904 -3.282 -2.122) 4.869 8.127 ( 1.341 -1.307 0.180) 1.882 8.223 ( -2.800 -2.676 -4.834) 6.194 8.270 ( -1.108 2.413 -2.625) 3.734 8.385 ( 0.784 -0.936 -0.104) 1.225 8.522 ( -0.766 3.211 -0.591) 3.354 8.643 ( 0.444 -2.287 0.649) 2.419 8.938 ( 2.695 2.004 -0.357) 3.377 9.014 ( 1.801 -1.360 -1.072) 2.499 9.159 ( -0.879 4.989 2.176) 5.513 9.299 ( -3.838 -2.434 3.617) 5.808 19.034 ( 0.057 2.526 -0.386) 2.556 19.145 ( 0.717 -2.707 0.029) 2.801 19.393 ( 0.879 12.565 0.383) 12.602 19.704 ( 2.550 -0.249 1.088) 2.784 20.252 ( -0.979 2.064 -1.519) 2.744 20.402 ( -3.862 -3.941 -2.105) 5.905 20.722 ( 2.564 -0.103 1.095) 2.789 20.909 ( -3.137 -7.767 -0.470) 8.390 ======================= Grid point 27 (16/128) ======================= q-point: ( 0.00 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 -21.235 0.000) 21.235 1.378 ( 0.000 21.235 0.000) 21.235 1.503 ( 0.000 -22.917 0.000) 22.917 1.503 ( 0.000 22.917 0.000) 22.917 2.382 ( 0.000 -28.884 0.000) 28.884 2.382 ( 0.000 28.884 0.000) 28.884 2.712 ( 0.000 -1.677 0.000) 1.677 2.712 ( 0.000 1.677 0.000) 1.677 3.103 ( 0.000 -1.384 0.000) 1.384 3.103 ( 0.000 1.384 0.000) 1.384 3.286 ( 0.000 -2.592 0.000) 2.592 3.286 ( 0.000 2.592 0.000) 2.592 3.391 ( 0.000 -3.073 0.000) 3.073 3.391 ( 0.000 3.073 0.000) 3.073 3.655 ( 0.000 -1.657 0.000) 1.657 3.655 ( 0.000 1.657 0.000) 1.657 4.128 ( 0.000 -5.921 0.000) 5.921 4.128 ( 0.000 5.921 0.000) 5.921 4.380 ( 0.000 -5.763 0.000) 5.763 4.380 ( 0.000 5.763 0.000) 5.763 4.517 ( 0.000 -0.918 0.000) 0.918 4.517 ( 0.000 0.918 0.000) 0.918 4.611 ( 0.000 -0.016 0.000) 0.016 4.611 ( 0.000 0.016 0.000) 0.016 4.908 ( 0.000 -1.246 0.000) 1.246 4.908 ( 0.000 1.246 0.000) 1.246 5.106 ( 0.000 -0.968 0.000) 0.968 5.106 ( 0.000 0.968 0.000) 0.968 5.241 ( 0.000 -2.193 0.000) 2.193 5.241 ( 0.000 2.193 0.000) 2.193 5.376 ( 0.000 -4.024 0.000) 4.024 5.376 ( 0.000 4.024 0.000) 4.024 5.808 ( 0.000 -4.570 0.000) 4.570 5.808 ( 0.000 4.570 0.000) 4.570 6.018 ( 0.000 -8.581 0.000) 8.581 6.018 ( 0.000 8.581 0.000) 8.581 6.166 ( 0.000 -3.760 0.000) 3.760 6.166 ( 0.000 3.760 0.000) 3.760 6.463 ( 0.000 -1.664 0.000) 1.664 6.463 ( 0.000 1.664 0.000) 1.664 6.923 ( 0.000 -4.195 0.000) 4.195 6.923 ( 0.000 4.195 0.000) 4.195 7.068 ( 0.000 -11.747 0.000) 11.747 7.068 ( 0.000 11.747 0.000) 11.747 7.112 ( 0.000 -1.856 0.000) 1.856 7.112 ( 0.000 1.856 0.000) 1.856 7.487 ( 0.000 -3.196 0.000) 3.196 7.487 ( 0.000 3.196 0.000) 3.196 7.573 ( 0.000 -3.378 0.000) 3.378 7.573 ( 0.000 3.378 0.000) 3.378 7.941 ( 0.000 -5.246 0.000) 5.246 7.941 ( 0.000 5.246 0.000) 5.246 7.951 ( 0.000 -0.142 0.000) 0.142 7.951 ( 0.000 0.142 0.000) 0.142 8.140 ( 0.000 -1.864 0.000) 1.864 8.140 ( 0.000 1.864 0.000) 1.864 8.430 ( 0.000 -4.086 0.000) 4.086 8.430 ( 0.000 4.086 0.000) 4.086 8.641 ( 0.000 -3.733 0.000) 3.733 8.641 ( 0.000 3.733 0.000) 3.733 8.965 ( 0.000 -1.011 0.000) 1.011 8.965 ( 0.000 1.011 0.000) 1.011 9.240 ( 0.000 -2.521 0.000) 2.521 9.240 ( 0.000 2.521 0.000) 2.521 19.003 ( 0.000 -4.850 0.000) 4.850 19.003 ( 0.000 4.850 0.000) 4.850 19.271 ( 0.000 -7.455 0.000) 7.455 19.271 ( 0.000 7.455 0.000) 7.455 20.305 ( 0.000 -0.024 0.000) 0.024 20.305 ( 0.000 0.024 0.000) 0.024 21.286 ( 0.000 -7.694 0.000) 7.694 21.286 ( 0.000 7.694 0.000) 7.694 ======================= Grid point 29 (17/128) ======================= q-point: ( 0.11 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -3.235 -8.463 5.049) 10.373 1.329 ( -3.235 8.463 5.049) 10.373 1.578 ( 6.356 -6.803 1.333) 9.405 1.578 ( 6.356 6.803 1.333) 9.405 2.555 ( 13.019 -21.599 1.856) 25.287 2.555 ( 13.019 21.599 1.856) 25.287 2.696 ( 2.712 -1.052 -6.920) 7.507 2.696 ( 2.712 1.052 -6.920) 7.507 3.095 ( -1.525 -3.081 0.589) 3.488 3.095 ( -1.525 3.081 0.589) 3.488 3.256 ( 0.873 -2.182 -9.048) 9.348 3.256 ( 0.873 2.182 -9.048) 9.348 3.406 ( -0.428 -3.311 3.342) 4.724 3.406 ( -0.428 3.311 3.342) 4.724 3.668 ( 1.380 -2.198 0.398) 2.626 3.668 ( 1.380 2.198 0.398) 2.626 4.081 ( -4.106 -6.154 1.271) 7.507 4.081 ( -4.106 6.154 1.271) 7.507 4.286 ( -7.522 -4.265 1.846) 8.842 4.286 ( -7.522 4.265 1.846) 8.842 4.534 ( -0.067 -6.254 -3.854) 7.346 4.534 ( -0.067 6.254 -3.854) 7.346 4.582 ( 0.358 -2.910 4.857) 5.673 4.582 ( 0.358 2.910 4.857) 5.673 4.995 ( -0.686 -3.776 -3.121) 4.946 4.995 ( -0.686 3.776 -3.121) 4.946 5.129 ( 5.737 -4.155 7.234) 10.125 5.129 ( 5.737 4.155 7.234) 10.125 5.313 ( 1.765 -1.069 6.014) 6.358 5.313 ( 1.765 1.069 6.014) 6.358 5.372 ( 3.003 -5.436 -5.383) 8.219 5.372 ( 3.003 5.436 -5.383) 8.219 5.765 ( -2.739 -3.801 -1.744) 4.999 5.765 ( -2.739 3.801 -1.744) 4.999 6.014 ( -0.146 -6.682 2.270) 7.058 6.014 ( -0.146 6.682 2.270) 7.058 6.222 ( 3.858 -6.018 -1.282) 7.262 6.222 ( 3.858 6.018 -1.282) 7.262 6.431 ( -2.698 -2.675 -0.841) 3.892 6.431 ( -2.698 2.675 -0.841) 3.892 6.869 ( -4.333 -6.098 -1.158) 7.570 6.869 ( -4.333 6.098 -1.158) 7.570 6.974 ( -6.354 -3.023 -3.851) 8.021 6.974 ( -6.354 3.023 -3.851) 8.021 7.126 ( 0.186 -7.516 4.006) 8.518 7.126 ( 0.186 7.516 4.006) 8.518 7.475 ( -2.641 -2.445 0.484) 3.631 7.475 ( -2.641 2.445 0.484) 3.631 7.540 ( -2.333 -4.039 0.776) 4.728 7.540 ( -2.333 4.039 0.776) 4.728 7.952 ( -0.465 -4.576 1.127) 4.736 7.952 ( -0.465 4.576 1.127) 4.736 8.011 ( 3.933 -2.556 1.519) 4.930 8.011 ( 3.933 2.556 1.519) 4.930 8.107 ( -0.644 -2.608 -3.635) 4.520 8.107 ( -0.644 2.608 -3.635) 4.520 8.410 ( 0.573 -5.525 -5.710) 7.966 8.410 ( 0.573 5.525 -5.710) 7.966 8.637 ( 0.349 -4.370 -2.264) 4.934 8.637 ( 0.349 4.370 -2.264) 4.934 8.947 ( -2.343 -2.910 1.373) 3.980 8.947 ( -2.343 2.910 1.373) 3.980 9.243 ( -1.432 -3.956 5.129) 6.634 9.243 ( -1.432 3.956 5.129) 6.634 19.037 ( 2.657 -4.298 0.083) 5.053 19.037 ( 2.657 4.298 0.083) 5.053 19.300 ( 2.892 -6.511 0.751) 7.164 19.300 ( 2.892 6.511 0.751) 7.164 20.342 ( 2.675 -0.788 1.876) 3.361 20.342 ( 2.675 0.788 1.876) 3.361 21.192 ( -7.522 -7.721 -3.927) 11.472 21.192 ( -7.522 7.721 -3.927) 11.472 ======================= Grid point 31 (18/128) ======================= q-point: ( 0.22 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 5.726 -7.952 13.578) 16.745 1.421 ( 5.726 7.952 13.578) 16.745 1.765 ( 12.802 -9.600 -0.693) 16.017 1.765 ( 12.802 9.600 -0.693) 16.017 2.626 ( 2.532 -5.385 -9.897) 11.548 2.626 ( 2.532 5.385 -9.897) 11.548 2.895 ( 11.826 -8.715 2.627) 14.924 2.895 ( 11.826 8.715 2.627) 14.924 3.038 ( -4.126 -5.884 0.675) 7.218 3.038 ( -4.126 5.884 0.675) 7.218 3.209 ( 2.701 -1.062 -11.797) 12.149 3.209 ( 2.701 1.062 -11.797) 12.149 3.403 ( -2.694 -6.644 3.454) 7.958 3.403 ( -2.694 6.644 3.454) 7.958 3.683 ( -0.755 -3.525 0.430) 3.630 3.683 ( -0.755 3.525 0.430) 3.630 4.055 ( -1.758 -4.174 4.424) 6.331 4.055 ( -1.758 4.174 4.424) 6.331 4.202 ( -0.087 -0.619 1.041) 1.214 4.202 ( -0.087 0.619 1.041) 1.214 4.489 ( -0.932 -7.318 -4.442) 8.611 4.489 ( -0.932 7.318 -4.442) 8.611 4.639 ( 0.921 -1.867 3.026) 3.673 4.639 ( 0.921 1.867 3.026) 3.673 4.923 ( -3.220 -1.219 -0.033) 3.443 4.923 ( -3.220 1.219 -0.033) 3.443 5.218 ( -2.821 -4.898 3.396) 6.594 5.218 ( -2.821 4.898 3.396) 6.594 5.350 ( -0.836 -1.226 2.940) 3.293 5.350 ( -0.836 1.226 2.940) 3.293 5.441 ( 6.146 -4.018 -4.896) 8.825 5.441 ( 6.146 4.018 -4.896) 8.825 5.729 ( -0.238 -2.877 1.134) 3.102 5.729 ( -0.238 2.877 1.134) 3.102 6.032 ( -0.942 -6.439 1.904) 6.780 6.032 ( -0.942 6.439 1.904) 6.780 6.230 ( -1.638 -5.544 0.589) 5.811 6.230 ( -1.638 5.544 0.589) 5.811 6.401 ( 0.553 -4.232 -0.035) 4.268 6.401 ( 0.553 4.232 -0.035) 4.268 6.720 ( -7.222 -7.095 -3.620) 10.752 6.720 ( -7.222 7.095 -3.620) 10.752 6.909 ( 1.085 -3.523 -1.562) 4.004 6.909 ( 1.085 3.523 -1.562) 4.004 7.166 ( 0.500 -6.320 5.424) 8.343 7.166 ( 0.500 6.320 5.424) 8.343 7.363 ( -6.655 -1.878 -1.733) 7.129 7.363 ( -6.655 1.878 -1.733) 7.129 7.548 ( 0.132 -4.720 4.244) 6.349 7.548 ( 0.132 4.720 4.244) 6.349 7.914 ( -4.019 -5.704 1.267) 7.092 7.914 ( -4.019 5.704 1.267) 7.092 7.979 ( -3.526 -3.266 -5.014) 6.946 7.979 ( -3.526 3.266 -5.014) 6.946 8.177 ( 5.839 -0.958 0.903) 5.986 8.177 ( 5.839 0.958 0.903) 5.986 8.372 ( 0.916 -4.436 -8.700) 9.808 8.372 ( 0.916 4.436 -8.700) 9.808 8.618 ( 0.095 -1.733 -3.518) 3.922 8.618 ( 0.095 1.733 -3.518) 3.922 8.915 ( -1.653 -3.618 2.189) 4.540 8.915 ( -1.653 3.618 2.189) 4.540 9.260 ( -2.124 -5.488 7.359) 9.422 9.260 ( -2.124 5.488 7.359) 9.422 19.076 ( 1.438 -2.045 -0.755) 2.612 19.076 ( 1.438 2.045 -0.755) 2.612 19.394 ( 5.539 -5.755 1.702) 8.167 19.394 ( 5.539 5.755 1.702) 8.167 20.408 ( 2.023 -2.668 1.212) 3.562 20.408 ( 2.023 2.668 1.212) 3.562 20.982 ( -9.399 -8.441 -4.440) 13.390 20.982 ( -9.399 8.441 -4.440) 13.390 ======================= Grid point 33 (19/128) ======================= q-point: ( 0.33 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 10.148 -3.051 14.966) 18.338 1.704 ( 10.148 3.051 14.966) 18.338 2.061 ( 17.731 -10.148 -0.081) 20.430 2.061 ( 17.731 10.148 -0.081) 20.430 2.603 ( 1.631 -8.391 -7.438) 11.331 2.603 ( 1.631 8.391 -7.438) 11.331 2.901 ( -5.147 -3.508 -3.810) 7.302 2.901 ( -5.147 3.508 -3.810) 7.302 3.081 ( 2.874 -8.272 -3.601) 9.468 3.081 ( 2.874 8.272 -3.601) 9.468 3.193 ( 1.709 -4.262 0.726) 4.649 3.193 ( 1.709 4.262 0.726) 4.649 3.378 ( -0.725 -10.675 0.626) 10.718 3.378 ( -0.725 10.675 0.626) 10.718 3.654 ( -2.640 -1.480 -0.466) 3.062 3.654 ( -2.640 1.480 -0.466) 3.062 4.039 ( -2.676 -2.580 6.176) 7.209 4.039 ( -2.676 2.580 6.176) 7.209 4.267 ( 3.416 -2.278 -4.195) 5.870 4.267 ( 3.416 2.278 -4.195) 5.870 4.447 ( 0.709 -4.338 -2.772) 5.196 4.447 ( 0.709 4.338 -2.772) 5.196 4.657 ( 0.067 -2.281 -0.195) 2.290 4.657 ( 0.067 2.281 -0.195) 2.290 4.883 ( -1.897 -2.624 0.849) 3.347 4.883 ( -1.897 2.624 0.849) 3.347 5.156 ( -3.956 -4.380 3.192) 6.710 5.156 ( -3.956 4.380 3.192) 6.710 5.315 ( -2.861 -2.594 0.427) 3.886 5.315 ( -2.861 2.594 0.427) 3.886 5.478 ( 1.722 -4.190 -5.955) 7.483 5.478 ( 1.722 4.190 -5.955) 7.483 5.742 ( -1.207 -0.199 2.142) 2.467 5.742 ( -1.207 0.199 2.142) 2.467 6.021 ( -0.243 -0.972 4.732) 4.837 6.021 ( -0.243 0.972 4.732) 4.837 6.237 ( 0.461 -2.179 1.569) 2.724 6.237 ( 0.461 2.179 1.569) 2.724 6.403 ( -0.632 -4.735 -1.409) 4.981 6.403 ( -0.632 4.735 -1.409) 4.981 6.609 ( -1.664 -3.609 -2.198) 4.541 6.609 ( -1.664 3.609 -2.198) 4.541 6.919 ( -0.557 -2.747 1.008) 2.978 6.919 ( -0.557 2.747 1.008) 2.978 7.218 ( -2.592 -2.021 2.226) 3.969 7.218 ( -2.592 2.021 2.226) 3.969 7.259 ( 1.275 -2.787 0.182) 3.070 7.259 ( 1.275 2.787 0.182) 3.070 7.587 ( -0.453 -3.946 5.379) 6.686 7.587 ( -0.453 3.946 5.379) 6.686 7.825 ( -3.843 -4.596 -3.248) 6.815 7.825 ( -3.843 4.596 -3.248) 6.815 7.894 ( -1.605 -3.964 -1.309) 4.472 7.894 ( -1.605 3.964 -1.309) 4.472 8.234 ( -1.797 -4.025 -1.671) 4.714 8.234 ( -1.797 4.025 -1.671) 4.714 8.331 ( 2.873 -2.119 -6.989) 7.848 8.331 ( 2.873 2.119 -6.989) 7.848 8.597 ( -0.297 -1.993 -1.211) 2.351 8.597 ( -0.297 1.993 -1.211) 2.351 8.931 ( 1.916 -3.175 0.777) 3.789 8.931 ( 1.916 3.175 0.777) 3.789 9.262 ( -3.139 -5.130 6.292) 8.704 9.262 ( -3.139 5.130 6.292) 8.704 19.087 ( 0.551 -2.383 -0.814) 2.578 19.087 ( 0.551 2.383 -0.814) 2.578 19.518 ( 5.428 -7.261 1.873) 9.257 19.518 ( 5.428 7.261 1.873) 9.257 20.402 ( -2.582 -5.718 -2.259) 6.668 20.402 ( -2.582 5.718 -2.259) 6.668 20.818 ( -4.579 -8.833 -1.026) 10.002 20.818 ( -4.579 8.833 -1.026) 10.002 ======================= Grid point 35 (20/128) ======================= q-point: ( 0.44 -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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 5.644 -2.843 7.534) 9.834 1.961 ( 5.644 2.843 7.534) 9.834 2.394 ( 13.953 -7.857 0.219) 16.014 2.394 ( 13.953 7.857 0.219) 16.014 2.555 ( -2.545 -8.480 -2.559) 9.216 2.555 ( -2.545 8.480 -2.559) 9.216 2.771 ( -4.688 -3.026 -3.023) 6.346 2.771 ( -4.688 3.026 -3.023) 6.346 3.054 ( -0.142 -6.508 -3.838) 7.557 3.054 ( -0.142 6.508 -3.838) 7.557 3.271 ( 1.518 -9.101 7.866) 12.124 3.271 ( 1.518 9.101 7.866) 12.124 3.378 ( 0.470 -7.690 -2.253) 8.027 3.378 ( 0.470 7.690 -2.253) 8.027 3.566 ( -3.578 -6.674 -3.414) 8.307 3.566 ( -3.578 6.674 -3.414) 8.307 4.047 ( -0.808 -2.421 3.049) 3.977 4.047 ( -0.808 2.421 3.049) 3.977 4.241 ( -0.581 -3.866 -3.439) 5.207 4.241 ( -0.581 3.866 -3.439) 5.207 4.467 ( 1.225 -1.743 -0.603) 2.214 4.467 ( 1.225 1.743 -0.603) 2.214 4.641 ( -1.049 -1.599 -0.293) 1.934 4.641 ( -1.049 1.599 -0.293) 1.934 4.848 ( -1.244 -1.110 -0.549) 1.755 4.848 ( -1.244 1.110 -0.549) 1.755 5.152 ( -0.038 -6.443 2.582) 6.942 5.152 ( -0.038 6.443 2.582) 6.942 5.297 ( 0.217 -3.612 2.200) 4.235 5.297 ( 0.217 3.612 2.200) 4.235 5.449 ( 0.519 -7.210 -4.994) 8.786 5.449 ( 0.519 7.210 -4.994) 8.786 5.699 ( -2.913 -2.839 0.459) 4.093 5.699 ( -2.913 2.839 0.459) 4.093 6.116 ( 3.570 -6.976 7.235) 10.665 6.116 ( 3.570 6.976 7.235) 10.665 6.232 ( -0.746 -2.990 -2.827) 4.182 6.232 ( -0.746 2.990 -2.827) 4.182 6.352 ( -2.115 -5.338 -2.568) 6.290 6.352 ( -2.115 5.338 -2.568) 6.290 6.597 ( 0.130 -7.591 0.265) 7.597 6.597 ( 0.130 7.591 0.265) 7.597 6.914 ( -0.567 -2.996 1.429) 3.367 6.914 ( -0.567 2.996 1.429) 3.367 7.167 ( -1.292 -1.514 -0.183) 1.999 7.167 ( -1.292 1.514 -0.183) 1.999 7.324 ( 1.945 -2.011 0.709) 2.886 7.324 ( 1.945 2.011 0.709) 2.886 7.576 ( -2.354 -2.134 0.568) 3.228 7.576 ( -2.354 2.134 0.568) 3.228 7.801 ( 2.275 -1.963 1.189) 3.232 7.801 ( 2.275 1.963 1.189) 3.232 7.873 ( -1.057 -3.019 -0.233) 3.207 7.873 ( -1.057 3.019 -0.233) 3.207 8.143 ( -2.784 -3.161 -3.492) 5.471 8.143 ( -2.784 3.161 -3.492) 5.471 8.345 ( 0.992 -3.336 -1.602) 3.832 8.345 ( 0.992 3.336 -1.602) 3.832 8.588 ( -0.233 -3.364 0.031) 3.372 8.588 ( -0.233 3.364 0.031) 3.372 8.979 ( 2.071 -2.141 -0.287) 2.992 8.979 ( 2.071 2.141 -0.287) 2.992 9.241 ( -2.045 -3.601 2.718) 4.953 9.241 ( -2.045 3.601 2.718) 4.953 19.089 ( 0.159 -3.023 -0.320) 3.044 19.089 ( 0.159 3.023 -0.320) 3.044 19.613 ( 2.562 -9.091 0.997) 9.498 19.613 ( 2.562 9.091 0.997) 9.498 20.317 ( -2.663 -4.494 -1.971) 5.584 20.317 ( -2.663 4.494 -1.971) 5.584 20.775 ( -0.662 -5.489 0.379) 5.541 20.775 ( -0.662 5.489 0.379) 5.541 ======================= Grid point 63 (21/128) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 7.951 0.000 22.949) 24.288 0.539 ( 4.681 0.000 26.564) 26.974 0.947 ( 1.780 0.000 46.605) 46.639 2.067 ( -4.096 0.000 5.639) 6.970 2.518 ( 1.899 0.000 -7.229) 7.474 2.734 ( 3.233 0.000 -7.120) 7.819 2.835 ( -7.408 0.000 -10.870) 13.154 2.858 ( -1.617 0.000 1.936) 2.522 2.927 ( 0.149 0.000 5.958) 5.959 3.223 ( -1.421 0.000 -1.913) 2.383 3.224 ( 0.808 0.000 3.800) 3.885 3.325 ( -12.579 0.000 1.065) 12.624 3.517 ( -3.994 0.000 -5.300) 6.636 3.576 ( -3.626 0.000 7.875) 8.670 3.811 ( -3.855 0.000 -4.316) 5.787 3.884 ( -0.693 0.000 0.141) 0.707 4.011 ( 0.640 0.000 0.083) 0.645 4.085 ( -0.584 0.000 -0.551) 0.802 4.175 ( 1.890 0.000 -3.792) 4.237 4.327 ( -0.242 0.000 4.501) 4.507 4.359 ( 1.758 0.000 -0.586) 1.853 4.436 ( 1.511 0.000 4.871) 5.100 4.459 ( -3.653 0.000 1.406) 3.914 4.763 ( -1.534 0.000 3.606) 3.919 4.781 ( 3.487 0.000 -8.296) 8.999 4.883 ( -0.189 0.000 2.903) 2.909 5.004 ( 0.869 0.000 -0.495) 1.000 5.105 ( 10.235 0.000 2.246) 10.479 5.163 ( 10.980 0.000 2.966) 11.373 5.377 ( 3.681 0.000 2.259) 4.319 5.427 ( -0.793 0.000 -5.809) 5.862 5.595 ( -0.582 0.000 -3.486) 3.534 5.651 ( 7.422 0.000 -1.447) 7.561 5.860 ( -2.226 0.000 -4.247) 4.795 5.918 ( 0.713 0.000 0.057) 0.716 6.055 ( -8.287 0.000 1.338) 8.394 6.184 ( -0.866 0.000 -0.356) 0.936 6.300 ( 8.161 0.000 -2.083) 8.423 6.320 ( -0.867 0.000 0.912) 1.258 6.370 ( -6.131 0.000 0.863) 6.191 6.490 ( 4.147 0.000 8.540) 9.493 6.631 ( 1.568 0.000 -0.408) 1.620 6.884 ( -0.216 0.000 -1.253) 1.271 7.186 ( 2.055 0.000 -2.875) 3.534 7.279 ( -7.010 0.000 -7.853) 10.527 7.354 ( 0.479 0.000 -4.636) 4.661 7.458 ( 2.904 0.000 1.023) 3.079 7.552 ( -2.348 0.000 1.020) 2.560 7.636 ( 0.277 0.000 -1.813) 1.834 7.692 ( -1.804 0.000 -0.491) 1.870 7.745 ( 5.121 0.000 1.004) 5.218 7.753 ( 3.423 0.000 3.723) 5.057 7.971 ( 1.447 0.000 -1.302) 1.947 8.026 ( 3.539 0.000 4.415) 5.658 8.080 ( -0.581 0.000 5.091) 5.124 8.259 ( -2.949 0.000 -0.200) 2.956 8.309 ( -3.638 0.000 -4.438) 5.738 8.326 ( 0.081 0.000 2.344) 2.346 8.455 ( -5.946 0.000 -1.401) 6.109 8.734 ( -4.820 0.000 -8.224) 9.532 8.882 ( 1.158 0.000 -2.297) 2.573 8.908 ( -1.952 0.000 2.581) 3.236 9.488 ( 5.146 0.000 11.211) 12.335 10.378 ( -24.437 0.000 -2.988) 24.619 18.814 ( 0.617 0.000 0.907) 1.097 18.994 ( -0.610 0.000 -1.115) 1.271 19.203 ( -0.534 0.000 1.354) 1.456 19.546 ( 3.395 0.000 -2.412) 4.165 20.292 ( 5.700 0.000 -0.378) 5.713 20.337 ( -2.198 0.000 -0.368) 2.228 20.454 ( 33.098 0.000 2.910) 33.226 20.932 ( -1.935 0.000 -2.776) 3.384 ======================= Grid point 64 (22/128) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.900 ( 14.217 0.000 21.321) 25.626 0.926 ( 13.253 0.000 22.347) 25.981 1.588 ( 27.239 0.000 35.384) 44.654 2.074 ( 2.322 0.000 -0.144) 2.326 2.520 ( 3.292 0.000 -4.414) 5.507 2.562 ( -7.024 0.000 -16.380) 17.822 2.798 ( -7.170 0.000 8.006) 10.747 2.803 ( 4.892 0.000 -3.665) 6.113 2.943 ( -4.022 0.000 4.277) 5.871 3.101 ( -2.416 0.000 -4.062) 4.726 3.267 ( -4.601 0.000 5.645) 7.283 3.322 ( 4.877 0.000 -0.561) 4.909 3.449 ( 3.297 0.000 -6.298) 7.109 3.573 ( -3.628 0.000 5.241) 6.374 3.710 ( -2.133 0.000 -1.680) 2.716 3.910 ( 3.448 0.000 -2.708) 4.384 4.057 ( 4.059 0.000 1.594) 4.361 4.076 ( 1.269 0.000 -3.215) 3.456 4.136 ( -2.446 0.000 -3.602) 4.354 4.286 ( -6.288 0.000 2.259) 6.681 4.329 ( -1.228 0.000 2.131) 2.460 4.435 ( 2.090 0.000 -9.266) 9.499 4.478 ( 1.481 0.000 -3.922) 4.193 4.787 ( 0.860 0.000 0.967) 1.294 4.802 ( 1.732 0.000 1.867) 2.547 4.883 ( -3.336 0.000 5.727) 6.628 4.987 ( -2.851 0.000 2.972) 4.118 5.249 ( -1.960 0.000 3.290) 3.830 5.291 ( 2.214 0.000 -1.834) 2.875 5.371 ( 0.462 0.000 -2.848) 2.885 5.456 ( 1.042 0.000 5.041) 5.148 5.563 ( -1.051 0.000 -2.542) 2.751 5.642 ( -5.150 0.000 -7.033) 8.717 5.763 ( -1.121 0.000 -7.966) 8.044 5.914 ( 0.742 0.000 4.860) 4.917 6.105 ( 5.840 0.000 2.412) 6.318 6.150 ( -3.170 0.000 0.806) 3.271 6.212 ( -3.796 0.000 -2.167) 4.371 6.386 ( 4.445 0.000 3.295) 5.533 6.495 ( 9.185 0.000 3.207) 9.729 6.563 ( -0.989 0.000 2.857) 3.023 6.767 ( 10.845 0.000 2.991) 11.250 6.882 ( 1.585 0.000 -5.264) 5.498 7.037 ( -8.534 0.000 -8.442) 12.005 7.272 ( 5.259 0.000 -1.484) 5.464 7.313 ( -1.670 0.000 -6.240) 6.460 7.430 ( -4.760 0.000 0.722) 4.814 7.520 ( -1.393 0.000 1.020) 1.727 7.601 ( 0.476 0.000 -4.930) 4.953 7.644 ( -5.183 0.000 0.722) 5.233 7.827 ( -0.461 0.000 6.858) 6.873 7.874 ( 4.066 0.000 -2.679) 4.870 7.953 ( -0.089 0.000 0.040) 0.098 8.094 ( 1.035 0.000 1.142) 1.542 8.117 ( -10.526 0.000 -5.568) 11.908 8.175 ( 4.434 0.000 5.973) 7.439 8.203 ( -1.379 0.000 -1.813) 2.278 8.377 ( 3.281 0.000 0.055) 3.281 8.452 ( 4.644 0.000 1.001) 4.751 8.574 ( -5.280 0.000 -3.974) 6.608 8.866 ( -3.936 0.000 0.742) 4.006 8.895 ( 1.821 0.000 -2.039) 2.734 9.640 ( 0.489 0.000 12.764) 12.773 9.780 ( -28.832 0.000 12.212) 31.311 18.861 ( 3.036 0.000 1.550) 3.409 18.981 ( 0.449 0.000 -1.803) 1.858 19.207 ( -0.174 0.000 1.325) 1.336 19.579 ( 1.989 0.000 -2.522) 3.212 20.280 ( -2.473 0.000 -2.119) 3.257 20.379 ( 4.872 0.000 1.857) 5.214 20.829 ( -5.322 0.000 -4.917) 7.246 21.091 ( 24.292 0.000 -18.698) 30.655 ======================= Grid point 65 (23/128) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 12.619 0.000 16.718) 20.946 1.335 ( 14.915 0.000 19.815) 24.801 2.116 ( 2.456 0.000 -3.453) 4.237 2.234 ( -1.105 0.000 -5.962) 6.064 2.399 ( 17.482 0.000 9.347) 19.824 2.551 ( 1.867 0.000 -4.778) 5.130 2.789 ( -0.466 0.000 12.812) 12.820 2.858 ( -6.616 0.000 6.797) 9.485 2.905 ( 8.319 0.000 -0.246) 8.322 3.117 ( 5.014 0.000 -1.538) 5.245 3.185 ( -6.822 0.000 8.725) 11.076 3.313 ( -0.284 0.000 -8.385) 8.389 3.466 ( -9.618 0.000 0.563) 9.635 3.532 ( 5.892 0.000 -2.853) 6.547 3.762 ( 5.676 0.000 4.177) 7.047 3.888 ( -2.542 0.000 -8.645) 9.011 4.075 ( 2.131 0.000 -4.570) 5.042 4.107 ( 3.885 0.000 -3.270) 5.079 4.169 ( 5.288 0.000 -2.857) 6.010 4.268 ( 1.953 0.000 2.761) 3.382 4.365 ( 2.872 0.000 4.139) 5.038 4.390 ( -0.283 0.000 -5.122) 5.129 4.444 ( 2.999 0.000 -8.461) 8.977 4.764 ( -3.338 0.000 -1.466) 3.645 4.779 ( -6.390 0.000 5.034) 8.135 4.935 ( 1.009 0.000 11.123) 11.169 4.969 ( -2.406 0.000 6.648) 7.070 5.145 ( -6.089 0.000 -11.271) 12.810 5.219 ( -3.762 0.000 4.130) 5.587 5.304 ( -12.760 0.000 -6.316) 14.238 5.428 ( -6.148 0.000 -1.717) 6.384 5.437 ( -3.646 0.000 0.459) 3.675 5.522 ( -1.104 0.000 0.385) 1.169 5.778 ( 3.649 0.000 -6.407) 7.373 6.043 ( 7.136 0.000 3.336) 7.878 6.123 ( 2.164 0.000 -2.261) 3.130 6.194 ( 2.046 0.000 1.442) 2.503 6.236 ( 4.048 0.000 4.907) 6.361 6.384 ( -8.160 0.000 -0.606) 8.182 6.614 ( 5.312 0.000 5.838) 7.893 6.686 ( 5.740 0.000 3.710) 6.835 6.744 ( -5.979 0.000 -9.473) 11.202 6.958 ( 2.703 0.000 -3.169) 4.166 7.013 ( 10.220 0.000 2.780) 10.591 7.200 ( -4.964 0.000 -5.354) 7.301 7.244 ( -4.238 0.000 -4.225) 5.984 7.391 ( -2.237 0.000 -0.066) 2.238 7.492 ( -9.749 0.000 -0.239) 9.752 7.549 ( 3.729 0.000 4.379) 5.752 7.605 ( 2.109 0.000 -4.649) 5.105 7.769 ( -8.270 0.000 -3.025) 8.805 7.854 ( -0.647 0.000 4.542) 4.588 7.960 ( -0.846 0.000 -2.465) 2.606 8.008 ( 2.580 0.000 2.108) 3.332 8.051 ( -5.860 0.000 1.004) 5.945 8.164 ( -1.449 0.000 -2.163) 2.603 8.302 ( 5.160 0.000 0.130) 5.162 8.420 ( 1.597 0.000 -2.141) 2.671 8.547 ( 2.672 0.000 5.011) 5.679 8.569 ( 5.650 0.000 0.061) 5.650 8.771 ( -5.109 0.000 -1.283) 5.268 8.917 ( 1.834 0.000 -1.856) 2.609 9.421 ( -17.332 0.000 6.179) 18.400 9.685 ( -5.380 0.000 11.190) 12.416 18.942 ( 3.749 0.000 1.508) 4.041 18.983 ( 1.064 0.000 -1.791) 2.083 19.216 ( 0.071 0.000 1.276) 1.278 19.592 ( 1.227 0.000 -2.051) 2.390 20.223 ( -1.380 0.000 -2.394) 2.763 20.509 ( 6.785 0.000 1.931) 7.054 20.673 ( -6.365 0.000 -4.975) 8.078 21.217 ( 4.099 0.000 -11.578) 12.283 ======================= Grid point 66 (24/128) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 8.953 0.000 11.073) 14.240 1.776 ( 17.124 0.000 13.644) 21.895 2.020 ( -6.321 0.000 -8.566) 10.646 2.115 ( -1.535 0.000 1.967) 2.495 2.494 ( -1.957 0.000 -8.240) 8.470 2.677 ( 1.610 0.000 0.668) 1.743 2.783 ( -3.924 0.000 7.543) 8.503 2.975 ( -8.142 0.000 0.759) 8.178 3.019 ( 7.807 0.000 15.371) 17.240 3.073 ( -4.480 0.000 10.134) 11.080 3.237 ( -1.104 0.000 -5.610) 5.717 3.309 ( 4.707 0.000 -3.535) 5.887 3.534 ( 19.844 0.000 10.037) 22.238 3.629 ( 6.349 0.000 -1.473) 6.517 3.738 ( -3.885 0.000 -7.283) 8.255 3.911 ( 5.227 0.000 3.029) 6.041 4.117 ( 1.211 0.000 -3.654) 3.849 4.150 ( 5.608 0.000 -3.671) 6.703 4.193 ( 3.689 0.000 -9.321) 10.025 4.316 ( -1.021 0.000 -0.536) 1.153 4.323 ( -2.397 0.000 -2.057) 3.158 4.410 ( 5.639 0.000 2.364) 6.114 4.646 ( 4.200 0.000 4.150) 5.904 4.663 ( -4.134 0.000 -2.411) 4.785 4.694 ( 2.309 0.000 2.327) 3.278 4.889 ( -11.153 0.000 -1.680) 11.279 4.948 ( -10.671 0.000 -12.896) 16.739 4.984 ( -1.537 0.000 5.789) 5.990 5.101 ( 2.766 0.000 9.994) 10.369 5.166 ( -3.724 0.000 2.761) 4.636 5.330 ( -3.139 0.000 -0.648) 3.206 5.391 ( -2.081 0.000 -2.998) 3.649 5.497 ( -1.307 0.000 -2.719) 3.017 5.717 ( -3.426 0.000 -6.688) 7.514 6.071 ( -12.930 0.000 -0.776) 12.953 6.163 ( 2.424 0.000 -1.095) 2.660 6.222 ( 2.583 0.000 5.856) 6.400 6.269 ( 2.601 0.000 -3.710) 4.532 6.350 ( 0.310 0.000 1.011) 1.057 6.588 ( 2.097 0.000 -5.167) 5.576 6.771 ( 3.660 0.000 7.788) 8.605 6.829 ( 1.747 0.000 4.756) 5.066 6.970 ( 1.179 0.000 -3.063) 3.282 7.042 ( -6.309 0.000 -7.422) 9.741 7.159 ( -0.291 0.000 -5.958) 5.965 7.166 ( 4.049 0.000 2.077) 4.550 7.319 ( -6.659 0.000 1.683) 6.868 7.323 ( -3.933 0.000 0.922) 4.040 7.483 ( -5.588 0.000 -6.474) 8.552 7.659 ( 2.930 0.000 3.261) 4.384 7.795 ( 4.813 0.000 3.833) 6.153 7.864 ( -0.336 0.000 -5.447) 5.457 7.923 ( 0.088 0.000 -2.291) 2.293 7.964 ( -2.656 0.000 8.024) 8.452 8.098 ( 4.083 0.000 3.123) 5.140 8.123 ( -1.423 0.000 -1.352) 1.963 8.370 ( 1.584 0.000 2.107) 2.636 8.418 ( -2.208 0.000 2.914) 3.657 8.602 ( -2.915 0.000 -2.751) 4.008 8.690 ( 9.017 0.000 -0.892) 9.061 8.705 ( 0.102 0.000 0.847) 0.853 8.933 ( 1.366 0.000 -2.248) 2.630 9.178 ( -10.775 0.000 1.595) 10.893 9.604 ( -10.131 0.000 7.648) 12.694 18.994 ( 1.280 0.000 -1.274) 1.806 19.013 ( 2.401 0.000 0.672) 2.493 19.229 ( 0.256 0.000 1.077) 1.107 19.595 ( 0.717 0.000 -2.259) 2.370 20.201 ( 0.578 0.000 -0.805) 0.991 20.531 ( -4.696 0.000 -2.669) 5.402 20.661 ( 7.554 0.000 0.884) 7.605 21.146 ( -3.113 0.000 -6.905) 7.575 ======================= Grid point 67 (25/128) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.852 ( -3.154 0.000 -8.897) 9.440 1.852 ( 4.559 0.000 6.450) 7.899 2.050 ( -10.434 0.000 6.746) 12.425 2.230 ( 15.851 0.000 18.010) 23.992 2.426 ( 3.925 0.000 -8.437) 9.305 2.533 ( -11.398 0.000 -1.616) 11.512 2.785 ( -1.759 0.000 7.264) 7.474 2.895 ( -1.863 0.000 1.488) 2.384 3.029 ( -5.860 0.000 11.394) 12.813 3.092 ( -5.211 0.000 -3.134) 6.081 3.343 ( 6.541 0.000 13.558) 15.054 3.460 ( 12.293 0.000 -8.975) 15.221 3.679 ( 4.359 0.000 -2.268) 4.914 3.739 ( 4.643 0.000 -0.321) 4.654 3.833 ( 0.909 0.000 2.322) 2.493 3.959 ( -0.913 0.000 -1.440) 1.705 3.982 ( -10.603 0.000 -3.247) 11.089 4.232 ( 7.637 0.000 -5.106) 9.187 4.291 ( 2.816 0.000 -5.638) 6.302 4.317 ( 4.809 0.000 4.135) 6.342 4.330 ( 2.617 0.000 0.944) 2.782 4.501 ( -1.916 0.000 9.087) 9.286 4.521 ( -7.953 0.000 -0.308) 7.959 4.643 ( -8.389 0.000 -0.930) 8.440 4.680 ( 10.014 0.000 -4.776) 11.095 4.770 ( -0.675 0.000 -11.872) 11.891 4.895 ( 4.207 0.000 1.900) 4.616 4.963 ( -4.628 0.000 2.930) 5.478 5.133 ( -2.253 0.000 1.342) 2.622 5.258 ( 4.394 0.000 7.948) 9.082 5.276 ( -2.556 0.000 1.758) 3.102 5.308 ( -1.514 0.000 -4.598) 4.841 5.447 ( 1.298 0.000 -5.267) 5.425 5.612 ( -1.850 0.000 -3.417) 3.886 5.842 ( -7.845 0.000 2.965) 8.386 6.184 ( 0.513 0.000 -2.396) 2.450 6.192 ( -2.812 0.000 -4.424) 5.242 6.285 ( -1.720 0.000 -2.558) 3.082 6.391 ( 4.893 0.000 4.565) 6.691 6.684 ( 5.739 0.000 -0.824) 5.798 6.774 ( -5.460 0.000 -2.628) 6.059 6.806 ( -4.557 0.000 0.213) 4.562 6.948 ( 1.047 0.000 -0.200) 1.066 6.995 ( 1.014 0.000 -1.715) 1.993 7.129 ( 2.538 0.000 -4.159) 4.872 7.197 ( -2.316 0.000 -2.551) 3.445 7.280 ( -0.735 0.000 0.846) 1.121 7.284 ( 1.111 0.000 5.381) 5.494 7.411 ( 1.418 0.000 -0.119) 1.423 7.700 ( 0.872 0.000 -1.367) 1.622 7.784 ( -3.526 0.000 -1.196) 3.723 7.819 ( -1.860 0.000 1.185) 2.205 7.987 ( 3.718 0.000 0.356) 3.735 8.017 ( -1.638 0.000 3.641) 3.993 8.124 ( 3.276 0.000 3.656) 4.909 8.204 ( 2.983 0.000 4.589) 5.474 8.381 ( -3.891 0.000 3.505) 5.237 8.414 ( 0.733 0.000 3.906) 3.975 8.508 ( -2.363 0.000 -3.003) 3.821 8.703 ( -1.850 0.000 0.612) 1.948 8.844 ( 8.239 0.000 -4.605) 9.438 8.932 ( 0.571 0.000 -3.068) 3.121 9.056 ( -2.150 0.000 0.755) 2.279 9.429 ( -11.425 0.000 3.014) 11.816 19.010 ( 1.026 0.000 -0.562) 1.170 19.041 ( 0.431 0.000 -0.258) 0.502 19.237 ( -0.223 0.000 0.534) 0.579 19.585 ( 0.374 0.000 -2.980) 3.004 20.230 ( 1.709 0.000 1.813) 2.491 20.470 ( -0.547 0.000 0.818) 0.984 20.787 ( 3.951 0.000 -1.576) 4.253 21.037 ( -1.794 0.000 -3.964) 4.351 ======================= Grid point 68 (26/128) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.648 ( -14.476 0.000 -1.250) 14.530 1.746 ( -17.898 0.000 -0.160) 17.899 2.018 ( 2.984 0.000 5.947) 6.654 2.386 ( -0.902 0.000 -1.137) 1.452 2.498 ( 5.339 0.000 -1.693) 5.601 2.675 ( 15.973 0.000 13.130) 20.677 2.859 ( -1.926 0.000 0.127) 1.930 2.865 ( 4.934 0.000 8.681) 9.985 2.898 ( -11.690 0.000 -2.890) 12.042 3.045 ( -1.708 0.000 11.759) 11.882 3.507 ( -21.372 0.000 -6.728) 22.406 3.507 ( 0.686 0.000 8.962) 8.988 3.558 ( 0.364 0.000 -7.836) 7.844 3.779 ( -1.461 0.000 4.415) 4.650 3.851 ( 3.610 0.000 3.382) 4.947 3.896 ( -4.099 0.000 -1.566) 4.388 3.928 ( 10.613 0.000 -0.289) 10.617 4.270 ( -2.295 0.000 -1.779) 2.904 4.296 ( 1.318 0.000 -3.695) 3.923 4.362 ( -1.578 0.000 5.512) 5.733 4.381 ( -3.328 0.000 -3.651) 4.940 4.480 ( -6.584 0.000 2.996) 7.234 4.496 ( 10.609 0.000 -7.852) 13.199 4.567 ( 0.819 0.000 1.265) 1.507 4.752 ( 7.767 0.000 -5.057) 9.268 4.763 ( -2.111 0.000 0.328) 2.136 4.836 ( -8.397 0.000 -0.213) 8.400 4.916 ( 1.754 0.000 -2.998) 3.474 5.095 ( -2.002 0.000 0.890) 2.191 5.255 ( -1.403 0.000 2.160) 2.576 5.276 ( 1.265 0.000 1.023) 1.626 5.400 ( 4.690 0.000 1.712) 4.992 5.483 ( 1.890 0.000 -2.063) 2.799 5.624 ( 4.358 0.000 -1.182) 4.515 5.877 ( 9.608 0.000 1.259) 9.690 6.107 ( -1.652 0.000 -4.088) 4.409 6.138 ( -1.482 0.000 -5.232) 5.438 6.283 ( 1.029 0.000 -2.605) 2.801 6.464 ( -1.555 0.000 4.476) 4.739 6.653 ( -3.689 0.000 -3.810) 5.303 6.708 ( -2.633 0.000 -0.710) 2.727 6.748 ( 0.926 0.000 -1.747) 1.977 6.971 ( 1.042 0.000 -2.920) 3.101 6.987 ( 3.068 0.000 -1.740) 3.527 7.121 ( -1.467 0.000 -2.741) 3.109 7.208 ( 4.410 0.000 1.592) 4.688 7.302 ( 2.602 0.000 -0.165) 2.608 7.374 ( 2.495 0.000 6.578) 7.035 7.486 ( 4.640 0.000 0.932) 4.733 7.676 ( -1.506 0.000 -3.789) 4.078 7.716 ( -4.337 0.000 2.187) 4.857 7.826 ( 1.578 0.000 2.689) 3.118 7.973 ( -2.132 0.000 -0.373) 2.165 8.007 ( -2.118 0.000 2.206) 3.058 8.208 ( -4.916 0.000 2.656) 5.587 8.258 ( 3.591 0.000 8.178) 8.932 8.330 ( -2.691 0.000 1.266) 2.974 8.460 ( 0.652 0.000 4.814) 4.858 8.531 ( 4.686 0.000 -0.237) 4.692 8.670 ( -0.326 0.000 -0.557) 0.646 8.892 ( -1.867 0.000 -3.029) 3.558 8.915 ( 0.547 0.000 -3.907) 3.945 9.085 ( 2.868 0.000 2.434) 3.762 9.261 ( -3.677 0.000 -4.065) 5.482 19.023 ( 0.447 0.000 0.008) 0.447 19.027 ( -1.499 0.000 -0.851) 1.724 19.228 ( -0.831 0.000 0.304) 0.885 19.567 ( 0.429 0.000 -3.741) 3.766 20.279 ( 0.835 0.000 4.043) 4.129 20.529 ( 4.757 0.000 3.407) 5.851 20.726 ( -6.159 0.000 -3.907) 7.294 21.085 ( 7.759 0.000 -3.367) 8.458 ======================= Grid point 69 (27/128) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -21.821 0.000 5.150) 22.420 1.343 ( -21.126 0.000 -4.547) 21.609 2.119 ( 3.235 0.000 5.205) 6.129 2.411 ( -3.166 0.000 -8.521) 9.090 2.567 ( -1.436 0.000 -0.198) 1.449 2.579 ( -17.207 0.000 -1.984) 17.321 2.668 ( -5.142 0.000 -0.069) 5.142 3.060 ( 1.970 0.000 15.054) 15.182 3.073 ( -3.036 0.000 0.398) 3.062 3.103 ( 1.560 0.000 17.485) 17.555 3.221 ( 9.715 0.000 7.147) 12.061 3.424 ( -6.437 0.000 -4.133) 7.649 3.511 ( 0.182 0.000 -1.972) 1.980 3.755 ( -9.253 0.000 -1.334) 9.349 3.818 ( -0.959 0.000 11.669) 11.708 3.978 ( 4.768 0.000 1.124) 4.899 4.170 ( 11.262 0.000 -0.383) 11.269 4.215 ( -4.037 0.000 -3.616) 5.420 4.225 ( -5.311 0.000 -9.765) 11.116 4.231 ( -6.086 0.000 -0.020) 6.086 4.369 ( -2.757 0.000 -0.861) 2.888 4.400 ( -0.579 0.000 9.867) 9.884 4.478 ( 0.756 0.000 -6.038) 6.085 4.597 ( 0.593 0.000 -7.204) 7.229 4.722 ( -1.160 0.000 -1.170) 1.648 4.773 ( -0.083 0.000 7.093) 7.093 4.907 ( -1.043 0.000 -2.373) 2.592 5.029 ( 17.632 0.000 -1.306) 17.681 5.075 ( 0.994 0.000 -1.973) 2.209 5.264 ( 0.876 0.000 1.238) 1.517 5.289 ( 0.704 0.000 -2.439) 2.539 5.456 ( -1.146 0.000 -4.117) 4.273 5.521 ( 4.861 0.000 7.243) 8.723 5.721 ( 6.593 0.000 -3.968) 7.695 6.052 ( 1.727 0.000 -1.615) 2.364 6.056 ( -2.019 0.000 -6.559) 6.863 6.105 ( 7.325 0.000 -3.476) 8.108 6.218 ( -3.513 0.000 -5.010) 6.119 6.418 ( -5.083 0.000 3.641) 6.253 6.576 ( -2.573 0.000 -1.166) 2.825 6.673 ( -3.741 0.000 -2.940) 4.758 6.782 ( 7.006 0.000 1.392) 7.143 6.944 ( -3.816 0.000 -7.477) 8.395 7.030 ( 4.659 0.000 -0.142) 4.661 7.194 ( 7.370 0.000 3.276) 8.066 7.265 ( 1.899 0.000 2.019) 2.772 7.400 ( 5.758 0.000 1.131) 5.868 7.484 ( 3.972 0.000 6.030) 7.220 7.574 ( 5.845 0.000 -4.309) 7.261 7.579 ( -5.094 0.000 -2.938) 5.881 7.636 ( -5.528 0.000 1.573) 5.748 7.909 ( 1.569 0.000 6.117) 6.315 7.961 ( -3.165 0.000 3.264) 4.547 7.962 ( 1.011 0.000 -0.472) 1.116 8.145 ( -1.920 0.000 1.477) 2.422 8.252 ( -4.723 0.000 2.016) 5.135 8.388 ( 2.092 0.000 3.438) 4.025 8.521 ( 1.916 0.000 3.703) 4.170 8.567 ( -0.265 0.000 -0.529) 0.591 8.734 ( 5.055 0.000 2.675) 5.719 8.746 ( -9.820 0.000 3.565) 10.447 8.896 ( 0.689 0.000 -3.862) 3.923 9.183 ( 4.293 0.000 4.640) 6.321 9.230 ( 4.215 0.000 -9.870) 10.732 18.970 ( -3.409 0.000 -1.171) 3.605 19.026 ( -0.169 0.000 0.165) 0.236 19.217 ( -0.689 0.000 0.791) 1.049 19.550 ( 0.996 0.000 -4.051) 4.172 20.323 ( 0.185 0.000 4.744) 4.748 20.561 ( -7.207 0.000 -3.681) 8.092 20.680 ( 7.149 0.000 4.099) 8.241 21.209 ( 8.492 0.000 -8.322) 11.890 ======================= Grid point 70 (28/128) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -22.199 0.000 -2.602) 22.351 0.928 ( -22.870 0.000 13.287) 26.450 1.736 ( -41.474 0.000 -6.302) 41.950 2.204 ( -1.439 0.000 6.647) 6.801 2.439 ( -2.157 0.000 -1.590) 2.679 2.615 ( 8.545 0.000 -6.376) 10.661 2.753 ( 6.059 0.000 1.973) 6.372 3.043 ( -11.327 0.000 9.489) 14.776 3.057 ( -1.175 0.000 5.559) 5.682 3.155 ( -2.571 0.000 0.662) 2.655 3.359 ( -1.410 0.000 12.006) 12.088 3.499 ( -11.541 0.000 -0.491) 11.552 3.518 ( 7.722 0.000 6.269) 9.946 3.645 ( 7.784 0.000 -0.242) 7.788 3.855 ( -5.664 0.000 6.410) 8.554 3.990 ( -2.482 0.000 -0.261) 2.496 4.003 ( -2.459 0.000 -5.714) 6.220 4.163 ( 0.703 0.000 -3.194) 3.270 4.191 ( 0.751 0.000 0.051) 0.753 4.267 ( -1.686 0.000 0.648) 1.807 4.360 ( -0.485 0.000 8.306) 8.320 4.501 ( -2.826 0.000 -3.125) 4.214 4.513 ( 4.164 0.000 4.977) 6.490 4.560 ( 7.320 0.000 -5.064) 8.901 4.704 ( 3.505 0.000 -6.376) 7.276 4.837 ( 1.966 0.000 2.992) 3.580 4.862 ( -2.673 0.000 0.911) 2.824 5.106 ( 3.478 0.000 -3.410) 4.870 5.122 ( -1.948 0.000 -9.476) 9.674 5.292 ( 1.473 0.000 -1.672) 2.228 5.405 ( 9.853 0.000 -2.994) 10.298 5.417 ( 2.162 0.000 -5.366) 5.785 5.667 ( 1.109 0.000 7.163) 7.248 5.785 ( 4.957 0.000 -4.222) 6.511 6.027 ( 4.556 0.000 -2.481) 5.188 6.042 ( -2.214 0.000 3.687) 4.301 6.147 ( 0.518 0.000 -3.342) 3.382 6.179 ( 3.957 0.000 -6.617) 7.710 6.361 ( -3.340 0.000 3.804) 5.062 6.511 ( -3.646 0.000 -2.184) 4.250 6.552 ( -5.903 0.000 -2.299) 6.335 6.787 ( -6.076 0.000 -6.106) 8.614 6.938 ( 5.407 0.000 -2.741) 6.062 7.114 ( 4.726 0.000 5.201) 7.027 7.346 ( 4.969 0.000 2.127) 5.405 7.348 ( 0.611 0.000 -0.977) 1.152 7.422 ( 1.844 0.000 -2.811) 3.362 7.532 ( -5.348 0.000 0.823) 5.411 7.569 ( 1.683 0.000 1.289) 2.119 7.572 ( 3.806 0.000 4.467) 5.869 7.705 ( 10.376 0.000 -2.441) 10.659 7.858 ( -5.672 0.000 3.171) 6.498 7.973 ( 0.074 0.000 -1.213) 1.215 7.999 ( -0.105 0.000 -5.753) 5.754 8.164 ( -4.908 0.000 0.727) 4.961 8.180 ( 4.605 0.000 4.274) 6.283 8.399 ( -2.200 0.000 0.313) 2.222 8.454 ( -8.009 0.000 0.314) 8.015 8.576 ( 0.699 0.000 2.962) 3.044 8.757 ( 3.322 0.000 9.137) 9.723 8.839 ( 2.693 0.000 2.945) 3.991 8.889 ( 1.154 0.000 -1.568) 1.947 9.240 ( 4.276 0.000 -8.314) 9.349 9.340 ( 6.147 0.000 15.466) 16.643 18.890 ( -3.750 0.000 -0.865) 3.849 19.019 ( -0.532 0.000 -0.116) 0.544 19.211 ( -0.731 0.000 1.220) 1.422 19.546 ( 1.705 0.000 -3.824) 4.187 20.356 ( -0.278 0.000 3.848) 3.858 20.410 ( -5.575 0.000 -2.730) 6.208 20.840 ( 6.015 0.000 2.894) 6.675 21.233 ( 3.464 0.000 -21.842) 22.115 ======================= Grid point 71 (29/128) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.508 ( -17.470 0.000 11.458) 20.892 0.628 ( -22.638 0.000 15.014) 27.164 0.958 ( -35.608 0.000 20.159) 40.919 2.139 ( -8.505 0.000 8.795) 12.235 2.497 ( 6.846 0.000 -6.432) 9.394 2.699 ( 5.611 0.000 -7.301) 9.208 2.856 ( 1.885 0.000 0.904) 2.090 2.904 ( -5.756 0.000 6.484) 8.670 3.004 ( -4.012 0.000 -5.101) 6.490 3.178 ( 4.442 0.000 0.471) 4.467 3.280 ( -8.525 0.000 0.896) 8.572 3.453 ( -2.530 0.000 14.639) 14.856 3.609 ( 1.415 0.000 1.561) 2.107 3.648 ( -6.001 0.000 -2.114) 6.363 3.855 ( 2.157 0.000 0.094) 2.159 3.935 ( -3.916 0.000 1.696) 4.268 3.999 ( 1.282 0.000 -0.835) 1.530 4.141 ( 0.709 0.000 -9.581) 9.607 4.201 ( -5.989 0.000 4.053) 7.231 4.256 ( 2.621 0.000 5.987) 6.536 4.414 ( -2.136 0.000 4.126) 4.646 4.414 ( -2.939 0.000 1.247) 3.193 4.509 ( -3.259 0.000 -3.840) 5.037 4.699 ( 8.708 0.000 -3.770) 9.489 4.788 ( -1.402 0.000 3.251) 3.540 4.861 ( 8.807 0.000 -0.871) 8.850 4.898 ( 2.472 0.000 -1.155) 2.729 4.995 ( -0.857 0.000 -7.214) 7.264 5.093 ( -2.224 0.000 -5.195) 5.651 5.304 ( 3.064 0.000 -2.251) 3.802 5.476 ( 1.490 0.000 -5.832) 6.020 5.490 ( 6.761 0.000 0.658) 6.793 5.639 ( -2.399 0.000 -1.272) 2.716 5.873 ( 3.024 0.000 -0.467) 3.060 6.013 ( -5.050 0.000 2.628) 5.693 6.143 ( 6.206 0.000 -1.226) 6.326 6.170 ( 0.897 0.000 -9.189) 9.233 6.193 ( 4.544 0.000 -1.422) 4.761 6.360 ( -0.427 0.000 6.968) 6.981 6.402 ( -4.730 0.000 -2.051) 5.156 6.444 ( -3.843 0.000 0.864) 3.939 6.658 ( -3.123 0.000 -1.967) 3.691 6.925 ( -2.335 0.000 -1.705) 2.891 7.222 ( -2.378 0.000 -2.312) 3.317 7.329 ( 7.426 0.000 1.301) 7.539 7.403 ( 0.391 0.000 -2.137) 2.172 7.428 ( -3.214 0.000 -4.898) 5.858 7.533 ( 3.038 0.000 3.477) 4.617 7.609 ( 1.576 0.000 1.461) 2.149 7.674 ( 2.983 0.000 2.302) 3.769 7.765 ( -3.295 0.000 -2.789) 4.317 7.821 ( -7.528 0.000 -7.633) 10.720 7.891 ( 6.494 0.000 -2.576) 6.987 7.954 ( -0.393 0.000 2.201) 2.236 8.098 ( -2.828 0.000 1.499) 3.200 8.310 ( -4.005 0.000 0.125) 4.007 8.314 ( 4.516 0.000 0.318) 4.527 8.363 ( -4.353 0.000 2.415) 4.978 8.586 ( -1.781 0.000 -3.761) 4.162 8.834 ( -0.135 0.000 -2.085) 2.090 8.874 ( 1.078 0.000 -0.884) 1.394 8.914 ( -0.126 0.000 1.941) 1.945 9.311 ( 5.974 0.000 3.181) 6.768 9.859 ( 30.906 0.000 42.642) 52.664 18.826 ( -2.143 0.000 -0.047) 2.143 19.007 ( -0.412 0.000 -0.383) 0.563 19.206 ( -0.783 0.000 1.364) 1.572 19.551 ( 1.331 0.000 -3.850) 4.074 20.315 ( -2.546 0.000 -1.466) 2.938 20.365 ( -1.176 0.000 1.907) 2.240 20.819 ( -26.308 0.000 -44.621) 51.799 20.937 ( 2.458 0.000 0.272) 2.473 ======================= Grid point 72 (30/128) ======================= q-point: ( 0.00 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 9.628 10.675 16.709) 22.042 0.684 ( 2.176 17.488 16.950) 24.452 1.286 ( 1.367 26.530 34.082) 43.212 2.005 ( -3.744 -7.029 3.221) 8.591 2.463 ( 6.397 -12.525 -2.980) 14.376 2.605 ( -0.985 -3.401 -6.514) 7.414 2.821 ( -4.278 -0.290 -8.762) 9.755 2.856 ( -5.893 -1.911 -0.074) 6.196 2.963 ( -2.995 2.393 4.193) 5.681 3.102 ( -2.337 -6.204 0.122) 6.631 3.255 ( 3.493 1.808 -3.584) 5.321 3.385 ( -5.886 2.075 2.108) 6.588 3.446 ( -3.762 0.240 -2.006) 4.270 3.649 ( -4.541 -5.665 7.066) 10.131 3.747 ( 0.062 -3.321 -0.945) 3.453 3.923 ( -3.246 2.661 0.417) 4.218 4.020 ( -0.510 -0.569 1.695) 1.859 4.190 ( 2.175 2.073 -2.914) 4.186 4.205 ( 1.688 -8.317 1.710) 8.657 4.221 ( -0.164 9.449 -3.409) 10.047 4.349 ( 1.737 3.236 -2.338) 4.353 4.455 ( -7.775 0.570 2.802) 8.284 4.538 ( 3.588 4.509 3.365) 6.673 4.698 ( -0.077 -2.553 2.541) 3.603 4.860 ( -0.045 3.859 -7.870) 8.765 4.899 ( -0.689 0.952 -2.677) 2.923 5.025 ( 4.135 3.554 1.559) 5.671 5.092 ( 7.720 -3.236 -0.536) 8.388 5.143 ( 8.798 -0.578 4.887) 10.080 5.347 ( 2.259 -0.852 0.028) 2.414 5.483 ( 0.150 3.288 -5.995) 6.839 5.590 ( 2.614 -7.231 -1.177) 7.779 5.629 ( 0.087 3.678 -2.531) 4.465 5.820 ( -1.210 -2.112 1.287) 2.753 5.963 ( 0.027 0.913 -3.490) 3.607 6.072 ( -1.614 -0.308 0.123) 1.648 6.224 ( 0.328 3.367 -0.262) 3.393 6.268 ( 2.244 -4.460 -4.115) 6.470 6.328 ( -1.786 3.316 3.749) 5.314 6.393 ( -0.802 -1.877 4.087) 4.568 6.572 ( 1.574 10.732 4.991) 11.940 6.654 ( -0.616 4.433 -2.777) 5.267 6.929 ( 0.168 3.450 -0.489) 3.488 7.157 ( -1.113 -3.735 -5.792) 6.982 7.199 ( -4.418 -5.872 -6.771) 9.993 7.373 ( 1.492 1.309 -3.501) 4.025 7.489 ( 2.562 1.321 0.916) 3.024 7.584 ( 3.864 -2.583 0.102) 4.648 7.627 ( 1.225 -2.648 2.299) 3.715 7.660 ( -1.793 -1.495 -0.880) 2.495 7.789 ( 1.542 3.104 2.520) 4.285 7.827 ( 1.445 9.992 -5.493) 11.494 7.957 ( -0.427 -0.312 0.025) 0.529 8.033 ( 1.883 0.921 0.762) 2.231 8.092 ( -0.486 0.158 3.577) 3.614 8.209 ( -4.190 -4.218 -0.687) 5.985 8.277 ( -1.753 -2.894 -3.385) 4.786 8.372 ( 1.583 3.345 0.339) 3.716 8.483 ( -4.581 2.591 -2.724) 5.926 8.697 ( -3.924 -2.885 -7.938) 9.313 8.919 ( -0.567 2.882 -0.308) 2.953 8.955 ( -0.816 4.331 2.345) 4.992 9.460 ( 4.699 -2.768 10.474) 11.809 9.831 ( -12.874 -31.088 25.325) 42.114 18.856 ( 0.623 2.975 0.268) 3.052 19.022 ( -0.343 3.171 -1.500) 3.525 19.181 ( 0.913 -2.416 1.531) 3.003 19.500 ( 1.763 -4.250 -2.054) 5.039 20.282 ( 3.681 0.569 -0.149) 3.728 20.352 ( -0.709 -0.240 2.954) 3.048 20.953 ( 2.956 16.546 -18.080) 24.686 20.991 ( 8.883 12.811 -12.868) 20.214 ======================= Grid point 73 (31/128) ======================= q-point: ( 0.11 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 13.900 3.928 20.033) 24.697 1.024 ( 13.310 9.452 18.924) 24.992 1.773 ( 20.035 15.104 25.678) 35.901 2.014 ( 4.201 -5.474 1.498) 7.061 2.455 ( -2.145 -4.760 -9.944) 11.231 2.610 ( 2.681 -8.534 0.372) 8.953 2.682 ( -7.048 0.008 -2.540) 7.492 2.730 ( 0.480 -5.911 -4.292) 7.320 2.937 ( -3.249 2.593 3.872) 5.681 3.080 ( 1.167 -4.457 -3.580) 5.835 3.267 ( -2.068 5.069 1.007) 5.566 3.350 ( -0.044 -2.953 -2.637) 3.959 3.397 ( 0.578 -1.299 -0.426) 1.484 3.629 ( -2.256 -2.469 3.649) 4.950 3.772 ( 1.296 -7.525 0.166) 7.638 3.797 ( -3.463 8.589 0.215) 9.263 4.100 ( 3.430 3.605 -0.102) 4.976 4.141 ( -0.794 2.918 -2.640) 4.014 4.215 ( -2.295 4.177 -1.382) 4.962 4.239 ( 0.164 -7.842 0.891) 7.894 4.337 ( -0.453 5.571 -0.879) 5.658 4.353 ( -0.629 -1.065 -1.185) 1.713 4.559 ( -3.515 3.795 0.785) 5.232 4.734 ( 2.229 -1.395 -3.710) 4.547 4.848 ( -1.437 -1.467 -0.339) 2.081 4.870 ( 1.979 2.337 4.621) 5.544 5.077 ( -0.196 7.431 2.022) 7.704 5.192 ( 0.474 -3.493 1.217) 3.729 5.313 ( 2.319 -0.193 4.041) 4.663 5.367 ( 0.014 -2.188 -3.630) 4.238 5.390 ( -3.167 -0.376 -2.433) 4.012 5.583 ( -1.483 1.581 0.210) 2.178 5.661 ( 4.545 -1.104 -8.105) 9.358 5.809 ( -1.405 0.227 -4.110) 4.350 5.911 ( -5.463 -0.091 0.830) 5.527 6.070 ( 2.894 1.436 2.040) 3.821 6.218 ( -0.814 2.317 2.387) 3.425 6.253 ( -0.510 1.571 -1.533) 2.254 6.364 ( 2.482 2.337 5.411) 6.395 6.482 ( 6.500 -4.264 1.581) 7.933 6.598 ( 0.462 3.363 2.003) 3.942 6.713 ( 5.610 -0.167 1.741) 5.876 6.917 ( -1.702 1.671 -5.918) 6.381 6.990 ( -5.120 -3.889 -5.853) 8.694 7.175 ( 2.970 -6.523 -2.784) 7.689 7.355 ( -0.733 2.070 -3.957) 4.525 7.437 ( -5.490 -0.043 -0.200) 5.494 7.544 ( -3.987 1.190 1.106) 4.305 7.662 ( 2.565 3.393 -2.361) 4.865 7.718 ( -6.166 3.136 -0.140) 6.919 7.767 ( 2.333 -2.748 6.030) 7.025 7.876 ( 0.576 1.188 -3.782) 4.006 7.934 ( 0.296 0.128 0.811) 0.873 8.093 ( -6.446 -1.742 -3.107) 7.364 8.098 ( 3.382 -0.700 -1.027) 3.603 8.172 ( 5.022 -1.092 2.931) 5.916 8.187 ( -3.064 -1.198 -0.356) 3.309 8.394 ( 1.065 0.361 -0.946) 1.470 8.451 ( 0.940 1.597 -3.436) 3.903 8.573 ( -1.537 -0.450 -3.040) 3.436 8.900 ( -3.487 2.806 1.738) 4.801 8.948 ( 0.565 5.261 -0.045) 5.291 9.588 ( -9.337 -8.747 13.387) 18.518 9.620 ( -9.971 -8.860 12.885) 18.546 18.898 ( 2.937 3.188 1.269) 4.517 19.008 ( 0.366 2.628 -1.756) 3.182 19.220 ( 1.296 0.634 0.696) 1.602 19.533 ( 2.837 -4.481 -2.005) 5.670 20.319 ( -2.220 2.996 -1.173) 3.909 20.384 ( 4.363 0.414 2.254) 4.928 20.846 ( -5.027 2.479 -5.576) 7.906 21.123 ( 12.571 1.739 -17.495) 21.613 ======================= Grid point 74 (32/128) ======================= q-point: ( 0.22 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 14.615 3.825 16.717) 22.532 1.433 ( 14.227 5.917 16.689) 22.715 2.035 ( 5.272 -4.501 -3.343) 7.695 2.266 ( -3.621 -7.265 -8.307) 11.614 2.388 ( 10.015 3.697 5.932) 12.213 2.620 ( 3.214 7.122 2.142) 8.102 2.718 ( 7.837 -2.322 8.542) 11.823 2.763 ( 0.989 -9.070 1.533) 9.252 2.927 ( 0.716 1.437 3.983) 4.295 3.083 ( 0.570 -3.773 -1.209) 4.003 3.204 ( -1.517 1.766 1.557) 2.801 3.307 ( -3.392 1.112 -0.612) 3.622 3.427 ( 3.731 -8.311 -1.606) 9.250 3.570 ( -6.250 6.317 -0.465) 8.898 3.747 ( 0.575 -7.535 -1.366) 7.680 3.861 ( 1.422 5.024 0.156) 5.224 4.037 ( 0.168 -1.987 -3.380) 3.924 4.129 ( 0.469 2.848 -2.513) 3.827 4.216 ( 0.782 -3.917 2.621) 4.778 4.309 ( 0.405 -3.533 -4.202) 5.505 4.332 ( 3.260 7.772 -2.339) 8.747 4.388 ( 5.886 -2.380 2.309) 6.756 4.490 ( -1.842 6.512 0.404) 6.779 4.701 ( -0.731 1.486 -5.198) 5.455 4.837 ( -0.828 -4.503 2.123) 5.047 4.971 ( 1.933 3.657 8.247) 9.227 5.048 ( -4.909 9.946 3.430) 11.609 5.142 ( -6.649 -0.856 -4.836) 8.266 5.187 ( -5.303 -1.425 -1.699) 5.748 5.282 ( -7.429 -1.514 -6.578) 10.037 5.403 ( 0.596 0.693 0.439) 1.014 5.529 ( -6.393 1.581 1.780) 6.821 5.568 ( -3.164 6.152 -5.499) 8.837 5.786 ( 0.660 -0.507 -3.355) 3.457 5.948 ( 8.466 -3.128 0.508) 9.040 6.154 ( 2.543 1.544 4.302) 5.230 6.230 ( -1.137 2.408 4.262) 5.025 6.272 ( 2.803 -0.257 -0.245) 2.825 6.389 ( -6.470 2.412 1.114) 6.995 6.546 ( 1.870 -5.834 0.856) 6.186 6.690 ( 4.066 -1.866 -0.211) 4.478 6.736 ( -1.869 -1.114 -5.230) 5.665 6.893 ( 7.680 -4.623 0.228) 8.967 6.968 ( 2.733 -2.745 -0.967) 3.993 7.181 ( -2.161 -1.359 -3.338) 4.202 7.278 ( -4.334 2.047 -2.362) 5.343 7.392 ( -1.296 -0.896 3.182) 3.551 7.485 ( -2.189 -1.024 2.711) 3.632 7.555 ( -4.894 1.785 -4.064) 6.607 7.675 ( -4.168 5.155 -4.759) 8.160 7.763 ( -4.911 -0.493 -0.126) 4.937 7.828 ( -0.281 -1.933 5.375) 5.719 7.912 ( -1.656 -2.326 -1.803) 3.377 8.039 ( 1.589 3.304 2.533) 4.456 8.098 ( -2.443 1.692 0.879) 3.099 8.140 ( -0.800 -1.727 -4.870) 5.229 8.316 ( 6.018 0.626 0.374) 6.062 8.411 ( -0.564 -2.909 -0.293) 2.977 8.447 ( 5.075 -2.904 -1.240) 5.977 8.595 ( 1.849 -0.506 -0.564) 1.998 8.826 ( -3.792 4.126 0.632) 5.639 8.969 ( 0.992 4.929 0.240) 5.033 9.356 ( -13.780 -5.349 6.590) 16.185 9.649 ( -4.958 -3.715 10.524) 12.212 18.962 ( 2.172 1.968 0.097) 2.933 19.025 ( 2.806 3.645 -0.224) 4.605 19.238 ( 0.169 2.155 0.249) 2.176 19.575 ( 2.899 -1.955 -1.687) 3.882 20.252 ( -2.329 3.009 -2.462) 4.532 20.505 ( 5.830 -0.549 1.895) 6.154 20.687 ( -6.515 1.725 -4.824) 8.288 21.159 ( 2.441 -5.626 -10.063) 11.784 ======================= Grid point 75 (33/128) ======================= q-point: ( 0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 10.166 5.457 11.735) 16.457 1.801 ( 14.630 1.883 6.485) 16.113 2.078 ( -0.651 6.646 1.086) 6.765 2.143 ( -0.895 0.975 -1.106) 1.725 2.453 ( 2.360 -3.278 -8.313) 9.243 2.717 ( 1.502 2.795 4.895) 5.833 2.746 ( -5.892 -2.457 3.086) 7.091 2.918 ( -2.849 -6.007 3.915) 7.715 2.948 ( 3.462 -4.839 5.587) 8.161 3.064 ( -0.323 1.505 6.711) 6.885 3.245 ( 2.395 -2.716 -4.462) 5.747 3.389 ( -3.509 7.829 1.580) 8.723 3.516 ( 5.932 -8.908 -0.440) 10.711 3.556 ( 16.670 -0.034 9.739) 19.306 3.687 ( -3.474 -4.288 -5.631) 7.884 3.834 ( 0.314 -7.268 -2.246) 7.614 4.099 ( 2.906 3.716 1.261) 4.883 4.150 ( 1.714 -0.421 -0.150) 1.771 4.234 ( -0.250 -1.036 -3.764) 3.912 4.295 ( -0.429 -6.247 4.887) 7.942 4.321 ( 0.534 0.717 -4.118) 4.214 4.442 ( 0.445 6.889 0.258) 6.908 4.581 ( 5.685 -0.944 -4.778) 7.486 4.714 ( 4.629 2.726 -1.064) 5.476 4.820 ( -0.462 2.974 -1.926) 3.573 4.874 ( -11.179 -1.333 -1.997) 11.434 4.965 ( -8.748 2.010 6.050) 10.824 5.003 ( -5.611 4.333 -10.616) 12.765 5.096 ( 1.829 2.467 6.308) 7.016 5.196 ( 1.658 2.686 2.550) 4.057 5.377 ( -1.948 1.541 -3.343) 4.165 5.444 ( -2.869 4.953 0.173) 5.726 5.499 ( -2.217 2.194 -4.136) 5.180 5.743 ( -1.669 1.843 -3.092) 3.968 6.058 ( -6.350 1.695 -0.012) 6.572 6.152 ( -2.348 -2.936 1.734) 4.140 6.240 ( -0.220 -1.737 -2.500) 3.053 6.271 ( 3.591 2.620 4.242) 6.144 6.350 ( 0.337 0.830 0.610) 1.083 6.567 ( 2.078 -2.837 -5.053) 6.156 6.652 ( 0.670 -7.475 2.816) 8.016 6.835 ( 2.240 -3.919 2.094) 4.976 6.958 ( 1.338 -1.706 -0.481) 2.221 7.061 ( 3.579 -1.052 0.001) 3.730 7.076 ( -4.476 0.159 -2.963) 5.371 7.210 ( -1.016 1.827 -4.304) 4.784 7.321 ( -3.925 0.385 2.498) 4.668 7.353 ( -7.692 -1.116 -2.847) 8.277 7.506 ( -4.492 4.366 -2.746) 6.840 7.661 ( 6.328 -0.808 4.293) 7.689 7.722 ( 0.421 -3.265 -2.207) 3.964 7.832 ( -1.669 -0.537 2.017) 2.672 7.942 ( 1.008 -1.853 7.104) 7.410 8.035 ( 0.007 5.638 -6.321) 8.470 8.075 ( -2.544 -2.722 0.549) 3.765 8.128 ( 2.987 1.100 3.173) 4.495 8.382 ( 0.748 0.137 0.923) 1.196 8.404 ( -1.686 -1.846 2.932) 3.853 8.517 ( -0.155 -5.845 -2.848) 6.503 8.634 ( 5.336 -1.214 -0.459) 5.491 8.797 ( 0.844 4.267 -0.809) 4.424 8.979 ( 0.114 3.216 -0.966) 3.360 9.177 ( -7.826 0.865 2.286) 8.199 9.575 ( -9.450 -3.007 7.178) 12.242 18.985 ( 0.971 0.876 -0.684) 1.476 19.098 ( 3.676 5.323 0.571) 6.494 19.231 ( -0.846 1.562 -0.094) 1.779 19.615 ( 2.503 1.509 -1.912) 3.493 20.213 ( -0.064 1.303 -1.049) 1.674 20.517 ( -4.738 -1.732 -2.934) 5.836 20.656 ( 5.820 0.027 1.026) 5.909 21.088 ( -2.917 -5.667 -5.785) 8.608 ======================= Grid point 76 (34/128) ======================= q-point: ( 0.44 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -2.447 1.424 -2.271) 3.630 1.997 ( -1.354 3.594 -1.077) 3.989 2.090 ( 0.615 8.818 2.601) 9.215 2.279 ( 10.904 4.387 15.489) 19.444 2.455 ( 2.993 3.039 -5.482) 6.945 2.555 ( -9.601 1.977 0.595) 9.821 2.769 ( -0.060 -0.657 6.951) 6.982 2.903 ( -0.038 -0.301 1.907) 1.931 2.977 ( -3.552 -2.479 9.143) 10.118 3.164 ( -9.909 3.951 -3.079) 11.103 3.298 ( 13.469 -7.771 5.620) 16.535 3.325 ( 1.921 -6.567 -2.676) 7.346 3.619 ( 3.850 -7.382 -0.607) 8.347 3.652 ( 1.400 -3.388 0.428) 3.691 3.800 ( -0.724 -11.312 -3.898) 11.987 3.887 ( 2.697 -2.336 5.984) 6.967 4.095 ( -3.856 9.390 -2.720) 10.509 4.144 ( -2.344 -8.118 0.327) 8.456 4.256 ( 5.968 0.855 2.311) 6.456 4.316 ( 0.212 -0.157 -1.136) 1.167 4.349 ( 3.719 -5.800 2.746) 7.417 4.468 ( -0.970 1.113 4.411) 4.652 4.587 ( -1.637 -1.056 -1.321) 2.353 4.613 ( -4.344 8.511 -5.086) 10.825 4.748 ( 2.066 5.279 -6.672) 8.755 4.854 ( 1.232 -0.221 -5.491) 5.632 4.874 ( -3.041 1.777 -1.134) 3.701 4.955 ( 2.349 0.087 2.405) 3.363 5.150 ( 0.217 -0.070 3.392) 3.400 5.270 ( -1.976 4.339 -4.677) 6.678 5.338 ( 6.050 3.670 0.638) 7.105 5.385 ( -4.624 3.254 2.344) 6.121 5.450 ( 2.488 5.833 -3.379) 7.185 5.698 ( -0.782 6.249 -2.250) 6.688 5.846 ( -9.524 1.161 2.860) 10.012 6.145 ( -2.487 -1.663 -1.303) 3.264 6.211 ( 1.671 -0.489 -4.923) 5.221 6.315 ( -2.070 2.991 -2.154) 4.227 6.400 ( 3.844 0.170 5.098) 6.387 6.577 ( 1.446 -6.374 -3.251) 7.300 6.712 ( 0.421 -7.547 4.838) 8.974 6.812 ( -2.896 -1.696 -0.855) 3.464 6.932 ( -1.927 0.281 -6.382) 6.673 6.985 ( -0.649 -4.440 -0.797) 4.557 7.115 ( 2.276 -0.543 -2.467) 3.400 7.197 ( -4.612 -0.678 -3.615) 5.899 7.223 ( 3.510 -0.618 2.129) 4.151 7.319 ( 0.080 0.821 3.411) 3.509 7.457 ( -0.021 5.016 -1.445) 5.220 7.706 ( 1.067 0.042 0.735) 1.296 7.778 ( 0.181 -1.704 2.776) 3.262 7.816 ( -2.168 0.860 -0.949) 2.518 7.964 ( 2.270 -2.515 2.302) 4.096 7.990 ( -5.418 -2.982 -0.574) 6.211 8.131 ( 6.393 0.588 4.557) 7.873 8.212 ( 1.206 1.811 3.646) 4.246 8.346 ( -2.684 -5.855 2.597) 6.945 8.413 ( -0.481 0.415 1.190) 1.350 8.484 ( -0.243 0.137 0.797) 0.844 8.691 ( -1.105 -1.304 0.708) 1.850 8.853 ( 6.314 1.479 -4.438) 7.858 8.968 ( 1.178 1.863 -3.098) 3.802 9.096 ( -2.486 4.103 1.021) 4.905 9.411 ( -10.746 -1.866 2.765) 11.252 18.998 ( 0.718 0.702 -0.107) 1.009 19.154 ( 1.480 9.114 -0.714) 9.261 19.210 ( -0.795 -2.114 0.303) 2.278 19.632 ( 0.907 3.845 -3.083) 5.011 20.233 ( 1.638 0.374 1.683) 2.378 20.447 ( -0.679 -2.331 0.626) 2.507 20.760 ( 3.189 -2.348 -1.223) 4.144 20.992 ( -1.761 -4.486 -3.431) 5.916 ======================= Grid point 77 (35/128) ======================= q-point: (-0.44 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( -12.264 0.564 -3.401) 12.740 1.768 ( -15.781 1.617 -3.509) 16.247 2.153 ( -2.801 11.546 6.423) 13.505 2.308 ( -1.875 -3.661 -3.942) 5.698 2.589 ( 6.082 5.949 2.085) 8.759 2.692 ( 12.022 2.118 12.134) 17.211 2.823 ( -2.987 -3.719 3.773) 6.082 2.910 ( -0.722 3.990 3.538) 5.382 2.937 ( -3.261 3.299 1.142) 4.777 3.025 ( -0.687 -0.801 10.857) 10.908 3.333 ( 1.184 -12.886 -5.976) 14.253 3.477 ( -15.831 -3.347 -5.971) 17.247 3.578 ( 3.382 -3.554 6.286) 7.974 3.624 ( -0.746 -8.419 -0.482) 8.466 3.808 ( -0.885 -4.633 4.882) 6.788 3.878 ( 0.765 0.102 1.978) 2.123 4.023 ( -0.911 -6.631 -0.750) 6.736 4.125 ( -0.238 1.214 -0.436) 1.312 4.300 ( -4.098 -3.879 3.914) 6.867 4.369 ( -2.462 0.492 0.998) 2.701 4.396 ( 4.085 5.421 0.784) 6.833 4.421 ( -0.196 -1.160 -2.291) 2.576 4.592 ( 3.563 1.423 -0.273) 3.847 4.689 ( 7.222 5.944 -1.475) 9.469 4.734 ( 2.339 3.335 -6.171) 7.394 4.801 ( -2.812 -0.057 0.228) 2.821 4.842 ( 1.003 5.299 -5.565) 7.749 4.938 ( -3.659 -0.137 -0.544) 3.702 5.154 ( -0.559 3.493 -0.389) 3.559 5.230 ( 0.666 2.300 0.295) 2.413 5.338 ( -0.754 0.979 -0.763) 1.452 5.444 ( 4.341 4.336 1.616) 6.345 5.521 ( 2.916 6.176 -1.167) 6.929 5.671 ( -0.043 4.381 -1.457) 4.617 5.847 ( 7.996 -2.848 1.326) 8.591 6.080 ( -1.641 -1.246 -3.214) 3.817 6.184 ( -0.609 2.693 -6.576) 7.132 6.281 ( -0.323 -0.255 -2.040) 2.081 6.434 ( -4.299 -2.930 3.872) 6.485 6.584 ( 0.737 -4.915 0.034) 4.970 6.707 ( 0.393 -1.811 0.527) 1.927 6.762 ( -2.470 1.215 -3.495) 4.449 6.911 ( 3.470 -4.320 -1.147) 5.659 6.965 ( 0.620 -4.985 -4.545) 6.775 7.136 ( 0.304 2.162 -0.352) 2.212 7.184 ( 4.782 -1.344 0.472) 4.989 7.281 ( 2.302 -3.532 -1.963) 4.651 7.339 ( -1.197 -1.332 3.542) 3.969 7.498 ( 4.004 2.912 0.552) 4.982 7.697 ( -2.303 -0.686 -0.135) 2.407 7.757 ( -3.039 1.995 0.219) 3.642 7.827 ( 1.431 1.937 2.585) 3.533 7.871 ( -3.648 -6.555 1.397) 7.630 8.032 ( 0.740 -0.324 2.630) 2.751 8.149 ( -3.590 -3.190 0.386) 4.818 8.315 ( 4.801 4.416 7.254) 9.756 8.379 ( -3.220 1.943 0.435) 3.786 8.412 ( 3.759 -3.333 5.885) 7.738 8.529 ( 2.697 0.259 2.848) 3.931 8.650 ( -2.041 -1.203 -1.131) 2.625 8.884 ( -0.478 0.637 -3.051) 3.153 8.997 ( 1.374 5.299 -4.124) 6.854 9.069 ( -0.144 -1.211 2.116) 2.442 9.253 ( -3.433 -0.854 -3.835) 5.217 19.009 ( 0.247 1.022 0.480) 1.156 19.124 ( -2.594 6.016 -1.733) 6.777 19.227 ( 1.124 1.258 0.912) 1.917 19.604 ( -0.632 3.133 -4.251) 5.319 20.284 ( 1.083 0.498 3.936) 4.113 20.511 ( 5.307 -1.830 3.287) 6.506 20.706 ( -5.580 -1.804 -3.378) 6.767 21.028 ( 6.731 -5.626 -3.104) 9.305 ======================= Grid point 78 (36/128) ======================= q-point: (-0.33 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( -20.495 0.745 -3.322) 20.776 1.409 ( -18.236 5.063 -1.458) 18.982 2.056 ( -4.904 -7.311 -2.235) 9.083 2.394 ( 4.619 2.700 2.811) 6.044 2.535 ( -12.616 -3.555 -2.448) 13.334 2.660 ( -10.676 6.886 2.720) 12.992 2.789 ( -5.147 10.218 -2.688) 11.753 2.992 ( -3.669 -4.360 10.117) 11.612 3.091 ( 2.006 -0.755 17.242) 17.374 3.111 ( 3.034 1.774 2.026) 4.057 3.240 ( 6.433 1.149 9.777) 11.760 3.317 ( 2.702 -9.276 -7.376) 12.155 3.482 ( -5.747 -2.451 0.062) 6.248 3.737 ( -3.167 -3.687 6.807) 8.364 3.763 ( 2.760 -4.716 0.544) 5.491 3.991 ( -3.527 -12.704 1.811) 13.308 3.997 ( 3.944 -2.249 1.512) 4.785 4.099 ( -0.375 3.784 -3.752) 5.342 4.220 ( -4.455 -3.315 -1.237) 5.689 4.324 ( -4.420 -1.559 4.253) 6.329 4.350 ( -4.630 1.181 -1.959) 5.164 4.476 ( 1.189 10.057 -1.130) 10.190 4.572 ( -3.551 -1.532 -0.856) 3.961 4.676 ( 2.789 2.933 -6.893) 7.993 4.715 ( 1.812 10.111 -3.974) 11.014 4.846 ( 3.356 0.645 3.945) 5.219 4.873 ( -0.720 -1.953 -1.967) 2.864 5.054 ( 14.539 4.944 -1.951) 15.480 5.136 ( 0.217 4.354 -1.747) 4.697 5.262 ( 2.030 3.133 0.365) 3.751 5.319 ( 0.768 -0.125 -1.855) 2.012 5.498 ( -0.860 3.927 -1.317) 4.231 5.576 ( 4.227 5.154 4.547) 8.069 5.689 ( 3.691 -1.953 -4.093) 5.847 6.019 ( 2.483 -3.365 -7.512) 8.598 6.054 ( 6.114 -2.451 -1.423) 6.739 6.120 ( -1.568 4.288 -0.386) 4.582 6.228 ( -0.921 0.864 -5.302) 5.450 6.352 ( -5.627 -5.704 2.766) 8.476 6.606 ( 0.172 0.532 1.185) 1.310 6.658 ( -4.812 -0.658 -3.414) 5.936 6.786 ( 6.250 -0.090 0.594) 6.279 6.895 ( -3.166 -4.959 -6.008) 8.409 7.009 ( 4.197 -1.678 -0.070) 4.521 7.207 ( 5.569 0.763 1.847) 5.917 7.252 ( 3.296 -1.063 2.088) 4.045 7.316 ( 0.822 -8.690 -2.320) 9.032 7.391 ( 4.644 -2.563 5.884) 7.922 7.547 ( 1.370 -2.417 -4.112) 4.963 7.631 ( -2.794 1.062 -2.761) 4.070 7.691 ( -3.430 1.499 3.104) 4.863 7.837 ( 0.550 -1.109 3.979) 4.167 7.937 ( 3.729 0.931 1.966) 4.317 8.021 ( -0.976 -1.471 -0.363) 1.802 8.155 ( 1.230 2.901 3.900) 5.014 8.297 ( -5.185 2.941 2.181) 6.348 8.418 ( 1.143 2.126 3.046) 3.887 8.538 ( 3.506 1.253 4.641) 5.950 8.573 ( -0.732 1.196 -0.730) 1.581 8.617 ( -2.264 -5.628 4.821) 7.749 8.824 ( -2.235 2.845 1.689) 3.993 8.939 ( -1.008 3.783 -3.204) 5.060 9.143 ( 3.431 -3.648 3.568) 6.149 9.220 ( 3.709 -1.071 -9.214) 9.990 19.001 ( -2.102 2.716 -0.098) 3.436 19.062 ( -1.843 3.308 -0.743) 3.859 19.247 ( 0.150 3.117 0.854) 3.235 19.556 ( -0.544 0.362 -4.443) 4.491 20.330 ( 0.342 0.775 4.034) 4.122 20.554 ( -6.596 -0.686 -2.866) 7.224 20.673 ( 7.785 -0.363 3.314) 8.469 21.143 ( 8.196 -6.350 -6.709) 12.349 ======================= Grid point 79 (37/128) ======================= q-point: (-0.22 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.833 ( -22.570 -0.689 -4.934) 23.114 1.074 ( -19.161 11.248 9.001) 23.972 1.821 ( -23.291 2.784 -7.412) 24.600 2.174 ( -8.750 -0.499 2.071) 9.006 2.375 ( -10.305 -4.901 3.645) 11.979 2.585 ( 7.593 1.857 -1.273) 7.920 2.863 ( 4.849 6.659 1.341) 8.345 2.973 ( -3.892 -4.116 6.235) 8.424 3.089 ( -7.604 0.379 7.804) 10.903 3.167 ( -1.234 1.470 -1.396) 2.373 3.296 ( -2.573 -4.175 10.993) 12.037 3.472 ( 2.549 -3.283 2.085) 4.650 3.530 ( 3.869 -2.117 8.712) 9.765 3.687 ( -0.778 5.623 -0.658) 5.715 3.806 ( -1.922 -2.468 3.075) 4.386 3.902 ( -4.918 -10.350 1.065) 11.508 4.025 ( -0.075 -3.184 -6.459) 7.201 4.062 ( -2.021 -1.919 -1.135) 3.009 4.147 ( 5.223 -1.297 -2.141) 5.792 4.296 ( -2.323 -2.589 1.254) 3.697 4.305 ( -1.741 -4.692 3.876) 6.330 4.452 ( -0.836 -1.724 2.872) 3.452 4.531 ( -1.615 6.124 2.029) 6.651 4.681 ( 3.503 6.421 -7.614) 10.558 4.789 ( 5.853 7.920 -3.177) 10.347 4.821 ( -2.052 -2.748 1.128) 3.610 4.959 ( 3.792 6.082 -0.256) 7.172 5.111 ( -1.427 0.742 -8.557) 8.707 5.141 ( 2.301 2.756 -3.339) 4.903 5.300 ( 0.665 1.388 -2.068) 2.578 5.426 ( 8.861 0.974 -4.522) 9.996 5.476 ( 1.410 4.683 -1.527) 5.124 5.665 ( -0.182 -1.700 1.196) 2.087 5.766 ( 6.731 1.218 1.289) 6.960 5.989 ( 1.317 -3.814 -2.734) 4.874 6.092 ( 1.659 -0.122 -0.663) 1.790 6.152 ( 1.083 8.216 1.854) 8.492 6.218 ( 3.154 1.106 -6.091) 6.948 6.289 ( -2.140 -6.378 2.373) 7.133 6.526 ( -6.444 -0.202 -2.314) 6.850 6.588 ( -2.335 3.746 -0.360) 4.429 6.748 ( -5.731 -2.889 -4.376) 7.768 6.917 ( 5.287 -2.028 -2.610) 6.236 7.093 ( 4.508 -2.234 4.327) 6.636 7.276 ( -0.008 -7.598 -3.262) 8.269 7.317 ( 3.599 -3.379 -1.526) 5.168 7.396 ( 5.834 0.288 4.908) 7.629 7.491 ( -3.462 -3.920 0.692) 5.276 7.540 ( 3.437 -2.218 5.163) 6.587 7.596 ( 1.665 0.767 -1.568) 2.413 7.706 ( 4.438 -0.384 -1.708) 4.771 7.858 ( -0.604 4.083 1.402) 4.359 7.971 ( -0.402 -0.314 -5.136) 5.161 8.067 ( 3.914 1.383 0.978) 4.265 8.157 ( -0.995 -0.908 0.993) 1.674 8.247 ( -2.891 7.189 2.012) 8.006 8.415 ( -3.689 -0.052 -1.319) 3.918 8.457 ( -6.969 1.521 1.255) 7.243 8.566 ( 1.064 -1.186 2.304) 2.801 8.731 ( 4.179 -0.941 8.681) 9.680 8.859 ( 1.533 1.227 2.336) 3.051 8.927 ( 1.357 3.062 -0.714) 3.425 9.224 ( 3.490 -1.972 -4.246) 5.840 9.265 ( 4.113 -5.725 10.196) 12.396 18.929 ( -3.817 3.674 -0.913) 5.376 19.047 ( -0.366 2.683 0.280) 2.722 19.243 ( -1.192 2.320 0.514) 2.658 19.523 ( 0.308 -2.538 -3.783) 4.566 20.339 ( -1.894 -0.965 0.214) 2.136 20.430 ( -4.211 1.098 -0.137) 4.353 20.838 ( 6.846 0.768 1.356) 7.021 21.210 ( 6.208 -2.470 -14.904) 16.333 ======================= Grid point 80 (38/128) ======================= q-point: (-0.11 0.17 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -13.736 4.923 5.246) 15.506 0.799 ( -17.778 16.203 10.754) 26.349 1.306 ( -23.833 25.538 15.114) 38.062 2.084 ( -6.777 -6.764 4.675) 10.655 2.348 ( 5.729 -14.259 -2.362) 15.547 2.661 ( 1.160 0.965 -3.358) 3.682 2.892 ( -1.021 2.198 -1.052) 2.642 2.973 ( -6.166 3.043 7.397) 10.099 2.982 ( -0.693 -1.963 -3.870) 4.394 3.146 ( 0.920 0.393 -1.157) 1.529 3.252 ( -7.264 -4.125 3.448) 9.037 3.485 ( -1.746 3.322 6.147) 7.202 3.540 ( -6.814 -3.340 2.937) 8.137 3.707 ( -3.846 -4.792 3.158) 6.909 3.765 ( -0.109 1.288 -3.646) 3.868 3.895 ( 0.984 -3.914 4.983) 6.412 3.961 ( 3.385 -4.951 0.030) 5.997 4.134 ( 2.900 -3.527 2.158) 5.050 4.188 ( -1.631 -4.587 0.914) 4.953 4.282 ( 3.150 3.280 -5.360) 7.029 4.311 ( 0.792 -1.399 0.355) 1.646 4.505 ( -1.409 3.025 7.631) 8.329 4.524 ( -0.794 2.163 -0.875) 2.465 4.697 ( 1.928 4.139 -1.745) 4.888 4.797 ( 2.286 -1.550 0.669) 2.842 4.888 ( 5.896 5.361 -3.514) 8.710 4.993 ( 0.676 -0.089 -5.258) 5.302 5.013 ( 1.769 4.281 -6.064) 7.630 5.108 ( -3.419 1.235 -5.476) 6.573 5.300 ( 2.710 0.143 -2.204) 3.496 5.495 ( 2.684 -0.438 -5.707) 6.322 5.532 ( 3.801 2.484 1.348) 4.737 5.647 ( -0.217 1.217 -2.035) 2.381 5.852 ( 0.033 -1.619 1.070) 1.941 6.013 ( -0.135 -4.855 -3.046) 5.733 6.072 ( -0.719 2.703 0.526) 2.846 6.206 ( 1.123 0.254 -4.851) 4.986 6.268 ( 4.977 4.944 2.369) 7.404 6.304 ( 0.877 -4.091 2.201) 4.728 6.398 ( -4.779 0.339 1.768) 5.107 6.535 ( -1.642 8.093 0.664) 8.284 6.667 ( 0.134 2.236 -1.243) 2.562 6.940 ( -0.000 0.975 -1.409) 1.713 7.196 ( -0.422 -2.605 -1.311) 2.946 7.288 ( 6.208 -4.885 -5.136) 9.422 7.338 ( 0.513 -4.354 1.560) 4.653 7.417 ( -2.304 -0.935 -1.092) 2.715 7.519 ( 3.156 -1.806 2.562) 4.448 7.600 ( 1.402 -1.349 0.812) 2.108 7.674 ( 2.815 -0.809 3.708) 4.725 7.752 ( 0.289 1.107 -2.886) 3.104 7.882 ( -0.722 2.695 -6.902) 7.444 7.900 ( 3.480 2.601 1.079) 4.477 8.063 ( -1.771 5.347 -2.850) 6.313 8.133 ( -4.700 4.992 -0.322) 6.864 8.249 ( 1.288 -4.289 1.079) 4.606 8.310 ( -2.906 -2.286 0.302) 3.710 8.380 ( -2.673 2.322 -0.367) 3.560 8.585 ( -1.026 -0.072 -3.186) 3.348 8.789 ( -0.956 -3.132 -2.643) 4.209 8.918 ( 2.158 2.791 3.620) 5.055 8.942 ( -0.291 2.578 -1.014) 2.785 9.298 ( 5.431 -1.257 3.224) 6.440 9.564 ( 8.817 -18.598 34.757) 40.394 18.866 ( -1.836 3.255 -0.335) 3.752 19.038 ( -0.455 3.320 -0.515) 3.390 19.207 ( -2.786 -1.293 0.120) 3.073 19.505 ( 0.292 -4.177 -2.932) 5.112 20.278 ( -2.007 -0.812 -2.327) 3.178 20.373 ( -3.149 -0.515 1.381) 3.477 20.941 ( 5.022 5.445 -4.854) 8.856 21.116 ( 0.060 12.651 -25.199) 28.197 ======================= Grid point 81 (39/128) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( 8.270 21.901 0.623) 23.419 1.089 ( -0.761 23.259 8.929) 24.925 1.665 ( 5.491 -3.706 5.442) 8.573 1.867 ( -3.103 -0.973 11.153) 11.618 2.188 ( 2.644 -3.896 7.456) 8.818 2.614 ( -5.212 2.758 -5.726) 8.219 2.742 ( -9.516 -8.855 -2.979) 13.336 2.823 ( -1.604 -0.578 -6.789) 7.000 3.004 ( 2.590 -0.523 -3.414) 4.317 3.090 ( -4.882 4.949 1.155) 7.047 3.185 ( 1.945 -11.004 1.669) 11.299 3.363 ( -3.655 -6.937 -2.199) 8.143 3.441 ( -4.214 3.412 5.848) 7.975 3.514 ( -2.030 -1.690 3.583) 4.451 3.709 ( -1.565 -3.071 3.464) 4.887 3.917 ( -0.831 -13.078 8.441) 15.587 3.974 ( 1.034 4.728 -3.104) 5.750 4.173 ( 0.657 5.642 1.739) 5.940 4.214 ( 3.744 2.230 -2.309) 4.931 4.375 ( 2.612 6.322 -0.892) 6.898 4.450 ( -5.190 2.316 -4.819) 7.452 4.515 ( -3.377 6.813 2.151) 7.902 4.571 ( 8.166 -0.709 -0.937) 8.250 4.662 ( -4.127 -1.062 5.101) 6.647 4.899 ( -3.673 -1.360 -2.320) 4.552 4.918 ( 3.873 0.969 -7.928) 8.877 5.069 ( 7.690 0.911 0.010) 7.744 5.078 ( 7.987 0.057 0.082) 7.988 5.115 ( 3.454 0.523 2.217) 4.137 5.336 ( 2.724 -2.800 -1.256) 4.103 5.441 ( -0.465 -3.633 4.381) 5.710 5.526 ( -3.863 -0.219 1.414) 4.119 5.724 ( -0.067 4.738 -2.497) 5.356 5.781 ( -1.057 -0.501 -2.572) 2.825 5.952 ( -0.415 -1.192 -1.147) 1.706 6.081 ( -0.395 1.658 -0.340) 1.737 6.151 ( 2.648 -7.072 -3.800) 8.453 6.254 ( 0.559 -4.280 1.084) 4.450 6.336 ( 0.156 4.823 -1.204) 4.973 6.441 ( -0.787 3.326 2.168) 4.047 6.763 ( -0.978 6.837 -2.133) 7.229 6.822 ( 1.012 10.519 -0.242) 10.570 6.973 ( 3.101 1.363 0.887) 3.501 7.043 ( -4.950 -3.859 -8.163) 10.297 7.139 ( -4.788 -2.248 -3.079) 6.121 7.374 ( 4.368 -5.749 1.833) 7.450 7.438 ( 1.871 -4.055 0.508) 4.495 7.498 ( 3.254 -0.530 0.170) 3.301 7.611 ( -2.347 -0.315 3.640) 4.342 7.643 ( -0.263 -1.355 0.093) 1.383 7.857 ( 1.508 4.307 2.206) 5.069 7.949 ( 2.490 2.376 -1.161) 3.632 7.965 ( 0.478 0.669 1.780) 1.961 8.035 ( -1.035 -2.193 -0.798) 2.553 8.109 ( -2.980 -0.433 -3.079) 4.306 8.145 ( -2.807 -1.693 -3.762) 4.989 8.237 ( -1.773 2.284 -1.777) 3.394 8.410 ( 1.525 -0.334 -2.934) 3.324 8.538 ( -2.018 2.952 -3.590) 5.067 8.642 ( -2.208 -2.684 -7.122) 7.925 8.983 ( -1.179 3.658 3.400) 5.132 9.034 ( -0.196 2.997 4.360) 5.294 9.394 ( 3.212 -3.666 8.698) 9.971 9.446 ( -5.751 -11.073 17.638) 21.606 18.923 ( 0.623 4.108 0.678) 4.210 19.084 ( -1.713 -0.578 -1.046) 2.088 19.142 ( 2.825 2.274 0.740) 3.702 19.393 ( 0.963 -6.699 -1.773) 6.997 20.300 ( 2.749 1.222 0.782) 3.108 20.342 ( 0.359 -0.727 2.770) 2.887 21.076 ( -1.960 5.973 -5.790) 8.546 21.204 ( 3.374 2.966 -17.269) 17.844 ======================= Grid point 82 (40/128) ======================= q-point: ( 0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 11.522 14.237 10.582) 21.152 1.274 ( 7.643 15.804 14.669) 22.877 1.767 ( 6.141 -13.169 -3.508) 14.948 1.999 ( 2.205 -9.744 8.873) 13.362 2.379 ( 10.340 7.262 13.349) 18.380 2.506 ( -1.436 1.879 -6.446) 6.866 2.584 ( -0.244 -5.724 -5.194) 7.733 2.783 ( 2.283 4.266 -6.649) 8.223 3.006 ( 1.981 -3.222 -7.675) 8.556 3.023 ( -3.928 5.765 2.996) 7.592 3.231 ( 1.305 -8.316 1.205) 8.504 3.278 ( -3.497 -8.313 -4.946) 10.286 3.441 ( -2.703 5.369 7.690) 9.761 3.517 ( 0.424 -0.855 4.388) 4.490 3.709 ( -0.883 -2.133 3.023) 3.804 3.934 ( -2.148 -1.272 4.917) 5.514 3.966 ( 0.340 -6.525 0.909) 6.597 4.170 ( -1.754 -4.709 -4.545) 6.776 4.216 ( -2.785 6.359 1.731) 7.154 4.302 ( -2.131 7.308 -3.631) 8.434 4.344 ( -2.642 0.075 -0.203) 2.651 4.523 ( 0.634 6.308 -1.154) 6.444 4.627 ( -2.903 3.229 4.539) 6.282 4.667 ( 0.773 -2.471 0.626) 2.663 4.866 ( -0.237 2.864 -4.690) 5.500 4.934 ( 3.902 2.114 2.084) 4.903 5.139 ( 4.947 0.688 -4.029) 6.417 5.199 ( -0.263 3.428 4.323) 5.524 5.299 ( 4.419 0.410 3.707) 5.782 5.348 ( 1.252 -4.200 -4.731) 6.449 5.377 ( -3.612 0.763 -3.335) 4.975 5.546 ( -0.020 -3.815 4.655) 6.019 5.703 ( 1.265 3.697 -3.792) 5.445 5.753 ( -0.061 -4.736 0.367) 4.750 5.912 ( -0.574 3.232 -4.482) 5.555 6.118 ( 3.091 1.664 1.820) 3.955 6.167 ( 2.053 -4.768 -0.194) 5.195 6.317 ( -0.739 4.420 0.764) 4.546 6.356 ( 4.577 -8.115 0.464) 9.328 6.437 ( 0.109 1.345 2.222) 2.599 6.675 ( -4.942 7.447 -1.225) 9.021 6.808 ( -1.336 5.247 -1.716) 5.680 6.862 ( -4.451 -4.553 -9.605) 11.524 6.970 ( -5.456 -1.435 -2.241) 6.070 7.093 ( 3.989 0.836 1.679) 4.408 7.394 ( -2.661 -2.174 0.037) 3.436 7.423 ( -0.678 1.065 -1.823) 2.218 7.532 ( -5.890 -1.649 3.582) 7.088 7.593 ( -1.902 -5.408 5.575) 7.996 7.669 ( 2.158 -3.453 2.014) 4.543 7.860 ( -2.159 4.706 -0.986) 5.270 7.934 ( -3.554 4.067 -1.863) 5.713 7.982 ( 0.569 2.960 -5.537) 6.304 8.059 ( 2.190 -2.885 -0.324) 3.636 8.064 ( 1.642 -1.369 -2.074) 2.979 8.122 ( 2.894 -2.965 0.970) 4.255 8.197 ( -0.955 2.836 0.760) 3.087 8.375 ( -1.604 -2.603 -4.386) 5.346 8.503 ( 0.412 2.837 -5.164) 5.906 8.562 ( 0.423 -0.421 -4.821) 4.857 8.965 ( -4.169 3.890 3.874) 6.894 9.047 ( -1.196 3.481 4.178) 5.568 9.391 ( -9.408 -6.092 11.256) 15.884 9.507 ( 0.414 -6.173 10.150) 11.887 18.968 ( 2.784 3.987 0.970) 4.959 19.061 ( -0.001 1.709 -1.114) 2.040 19.227 ( 4.465 1.116 0.225) 4.608 19.423 ( 3.726 -6.590 -1.382) 7.696 20.366 ( 0.504 1.784 1.229) 2.224 20.391 ( 3.444 0.215 2.846) 4.473 20.928 ( -6.517 5.617 -7.595) 11.476 21.118 ( 0.120 -2.458 -13.670) 13.889 ======================= Grid point 83 (41/128) ======================= q-point: ( 0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 16.412 9.518 13.420) 23.239 1.563 ( 10.774 8.746 12.746) 18.842 1.924 ( 12.576 -9.480 -1.408) 15.811 2.036 ( 0.126 -12.868 2.680) 13.145 2.439 ( 0.098 1.088 -4.898) 5.018 2.581 ( 4.627 -7.782 -1.298) 9.147 2.752 ( 8.538 6.659 2.431) 11.097 2.811 ( 3.180 8.485 -0.475) 9.074 2.948 ( -0.846 -0.677 -3.873) 4.021 3.052 ( 6.213 2.453 4.351) 7.972 3.148 ( -4.606 -7.201 -5.421) 10.122 3.261 ( 0.154 -4.517 3.589) 5.771 3.408 ( -5.402 4.550 7.029) 9.964 3.582 ( 2.218 -2.818 2.173) 4.194 3.680 ( -4.986 0.854 2.984) 5.873 3.910 ( -7.462 -7.189 2.450) 10.647 4.029 ( 6.886 2.968 0.991) 7.563 4.125 ( 1.117 -2.151 -3.861) 4.559 4.150 ( -0.842 1.354 0.212) 1.609 4.268 ( -2.051 -0.254 0.972) 2.284 4.337 ( 0.981 -1.835 -0.631) 2.175 4.486 ( -0.853 4.000 -3.671) 5.496 4.625 ( 0.333 5.902 1.331) 6.059 4.684 ( -0.065 -3.358 2.436) 4.149 4.814 ( -1.412 4.661 -2.414) 5.436 5.026 ( 0.041 -1.721 4.600) 4.912 5.130 ( -3.251 2.136 -5.979) 7.133 5.181 ( -4.714 0.489 -1.876) 5.098 5.205 ( 1.151 5.767 -3.193) 6.692 5.301 ( -3.638 3.926 -6.694) 8.571 5.421 ( 2.400 -0.595 -3.000) 3.888 5.501 ( -5.241 -3.480 2.402) 6.734 5.688 ( 0.271 5.842 -3.397) 6.763 5.774 ( -0.316 0.143 3.191) 3.210 5.949 ( 6.508 2.469 0.260) 6.965 6.204 ( 2.758 2.821 3.871) 5.527 6.206 ( -0.398 -4.502 2.705) 5.267 6.284 ( -3.142 1.785 1.415) 3.881 6.390 ( -0.886 -4.472 2.381) 5.143 6.464 ( -2.910 -0.548 -1.547) 3.341 6.607 ( 3.531 -5.269 -2.682) 6.886 6.682 ( -4.761 -3.843 -8.585) 10.542 6.856 ( 5.427 0.713 -0.046) 5.474 6.935 ( 2.178 -1.298 0.408) 2.568 7.169 ( 1.821 1.307 1.047) 2.474 7.294 ( -5.320 -0.116 -0.273) 5.329 7.391 ( -5.097 -0.386 2.145) 5.544 7.450 ( -6.794 -4.488 1.873) 8.355 7.546 ( 0.365 1.432 1.642) 2.209 7.736 ( 0.066 -3.827 3.290) 5.048 7.773 ( -4.871 4.128 -5.054) 8.143 7.843 ( -3.670 4.938 3.189) 6.930 7.898 ( -2.499 -0.738 -5.015) 5.651 8.054 ( -1.682 -3.260 3.403) 5.003 8.127 ( 0.035 2.382 -5.502) 5.996 8.142 ( 2.944 3.160 -1.026) 4.439 8.269 ( 4.650 -4.430 2.694) 6.965 8.341 ( 0.151 -3.599 -2.149) 4.195 8.470 ( 2.380 3.211 -5.156) 6.523 8.573 ( 2.141 -1.514 -2.706) 3.768 8.903 ( -3.675 4.052 2.166) 5.883 9.038 ( -3.058 0.030 3.347) 4.534 9.303 ( -6.115 1.950 6.308) 8.999 9.548 ( -3.872 -6.578 8.942) 11.757 19.012 ( 1.161 2.975 -0.580) 3.245 19.080 ( 2.227 1.191 0.449) 2.565 19.300 ( 3.429 4.544 -0.725) 5.739 19.512 ( 5.898 -4.639 -0.932) 7.561 20.330 ( -3.102 4.839 -1.866) 6.043 20.480 ( 2.800 -2.153 1.203) 3.732 20.749 ( -6.140 4.862 -4.781) 9.176 21.023 ( -1.247 -8.017 -7.508) 11.055 ======================= Grid point 84 (42/128) ======================= q-point: ( 0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.834 ( 9.209 5.068 4.119) 11.290 1.860 ( 12.559 7.511 9.219) 17.295 2.089 ( 6.725 -5.259 -0.428) 8.548 2.229 ( 13.035 4.280 8.401) 16.087 2.428 ( 2.826 1.324 -6.133) 6.881 2.615 ( -1.375 -5.039 0.666) 5.265 2.793 ( -2.704 -2.074 4.556) 5.690 2.865 ( 1.573 2.539 1.213) 3.224 2.885 ( -0.766 -1.128 -2.912) 3.215 3.069 ( 1.743 -5.921 -7.446) 9.671 3.219 ( -0.365 5.942 5.433) 8.060 3.313 ( 3.547 -7.109 2.491) 8.326 3.482 ( 5.580 -1.296 9.938) 11.471 3.589 ( -2.944 -5.882 0.465) 6.594 3.613 ( -4.829 4.402 4.035) 7.680 3.710 ( -7.219 -4.650 -2.462) 8.933 4.110 ( -1.239 -3.163 -1.550) 3.734 4.130 ( -0.228 -4.149 1.523) 4.426 4.200 ( 2.860 3.344 4.710) 6.445 4.269 ( 1.303 0.999 1.008) 1.926 4.345 ( 2.241 1.914 -2.920) 4.149 4.482 ( 1.385 -2.473 -0.796) 2.944 4.621 ( -0.790 3.781 -1.231) 4.054 4.728 ( 1.459 -4.841 2.957) 5.857 4.796 ( 1.704 4.352 -1.826) 5.018 4.906 ( -8.429 -0.685 -4.180) 9.433 4.986 ( -4.254 3.979 -5.564) 8.055 5.124 ( -3.737 2.825 -10.588) 11.578 5.212 ( 0.363 7.278 -1.824) 7.511 5.243 ( 5.468 4.044 4.260) 8.025 5.374 ( -1.912 -1.908 -7.714) 8.173 5.454 ( -1.726 -2.089 1.910) 3.315 5.656 ( -1.871 10.602 -0.394) 10.773 5.795 ( -0.544 3.046 2.642) 4.069 6.079 ( 0.752 -2.509 1.719) 3.133 6.134 ( -4.084 4.429 0.578) 6.052 6.225 ( -3.533 0.438 0.828) 3.656 6.277 ( 1.342 -0.636 3.541) 3.839 6.390 ( 0.381 0.793 0.920) 1.273 6.430 ( 2.244 -8.353 0.011) 8.649 6.564 ( -1.378 -3.543 -6.210) 7.281 6.696 ( 4.105 -8.560 -1.125) 9.560 6.918 ( -0.396 -1.035 0.202) 1.127 7.003 ( 1.074 -3.382 1.634) 3.907 7.159 ( -1.987 5.082 -0.331) 5.466 7.233 ( -1.995 0.527 -2.453) 3.205 7.291 ( -4.827 -3.065 -1.241) 5.851 7.321 ( -2.246 -1.350 -0.179) 2.627 7.589 ( -3.930 3.021 -0.682) 5.004 7.663 ( 2.446 2.399 4.775) 5.876 7.738 ( -1.564 3.428 -1.605) 4.096 7.821 ( -0.055 -1.472 3.404) 3.709 7.900 ( 0.832 -1.928 3.816) 4.356 8.007 ( -5.002 -3.763 0.063) 6.259 8.081 ( 0.536 0.279 -4.163) 4.207 8.182 ( 1.887 2.948 0.107) 3.501 8.290 ( -2.128 -5.643 -0.618) 6.063 8.369 ( 2.129 -2.444 1.440) 3.547 8.507 ( 2.259 2.895 -1.875) 4.123 8.609 ( 3.523 -1.646 -0.971) 4.007 8.874 ( 0.008 3.857 -0.360) 3.874 8.995 ( -2.039 -1.547 0.227) 2.569 9.246 ( -3.987 6.012 3.444) 7.994 9.493 ( -7.596 -5.442 6.021) 11.116 19.022 ( 0.666 2.735 -0.491) 2.858 19.126 ( 1.736 -1.579 0.765) 2.469 19.352 ( 2.605 9.513 -1.292) 9.947 19.618 ( 5.576 -2.024 -1.488) 6.116 20.259 ( -1.949 3.712 -1.668) 4.512 20.455 ( -4.086 -4.684 -2.905) 6.861 20.687 ( 1.376 3.625 0.465) 3.905 20.949 ( -2.466 -8.295 -3.346) 9.278 ======================= Grid point 85 (43/128) ======================= q-point: ( 0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( -3.050 5.018 -5.155) 7.814 2.003 ( -2.863 -0.951 -2.948) 4.218 2.321 ( 14.929 10.750 -2.293) 18.539 2.395 ( 1.798 9.078 7.313) 11.795 2.534 ( -5.239 4.385 4.235) 8.038 2.576 ( 5.947 -0.771 5.757) 8.313 2.762 ( -4.798 -1.978 5.043) 7.236 2.848 ( 1.860 -1.895 9.015) 9.398 2.986 ( 4.285 -5.131 -0.116) 6.687 3.068 ( 3.626 -2.306 -7.742) 8.854 3.215 ( -8.834 2.938 -2.158) 9.556 3.326 ( -1.029 -1.348 2.624) 3.124 3.437 ( 3.352 -9.532 -0.008) 10.105 3.559 ( -3.040 -8.446 -2.438) 9.301 3.618 ( 0.662 -3.899 7.826) 8.769 3.781 ( 2.144 -7.533 8.981) 11.916 4.021 ( -5.123 -2.188 -2.107) 5.956 4.131 ( -1.643 -6.610 0.732) 6.850 4.281 ( 0.725 1.323 5.799) 5.992 4.305 ( 3.131 4.605 3.232) 6.439 4.394 ( 4.151 4.071 -0.318) 5.823 4.482 ( -2.466 -0.546 2.071) 3.267 4.593 ( -1.077 2.560 -0.406) 2.807 4.704 ( -3.313 -1.551 -0.002) 3.658 4.790 ( -0.624 1.716 0.077) 1.827 4.860 ( 3.716 -2.794 -1.999) 5.061 4.906 ( 1.738 6.472 -10.330) 12.313 5.008 ( 0.400 3.484 -9.843) 10.449 5.217 ( 1.015 3.802 -1.191) 4.112 5.287 ( 0.554 0.539 -9.502) 9.534 5.371 ( 0.599 0.697 4.086) 4.188 5.456 ( 3.443 3.909 -0.118) 5.210 5.639 ( -0.022 8.794 2.503) 9.144 5.771 ( -3.102 0.443 2.444) 3.974 5.932 ( -7.982 8.470 -1.731) 11.767 6.124 ( -2.481 -0.558 -3.220) 4.103 6.209 ( 1.919 1.692 -1.245) 2.846 6.331 ( 1.631 -3.860 4.888) 6.438 6.379 ( -1.230 -0.588 -4.522) 4.723 6.509 ( 1.446 -4.993 1.054) 5.304 6.544 ( 1.715 -5.882 4.883) 7.835 6.721 ( -0.046 -6.585 -0.764) 6.629 6.872 ( -2.303 -3.312 -2.989) 5.021 6.932 ( -3.362 -1.167 -5.884) 6.877 7.128 ( 0.395 1.482 -1.208) 1.952 7.174 ( -2.543 -0.971 -1.005) 2.902 7.269 ( 2.564 3.423 -1.031) 4.399 7.334 ( 0.737 0.344 1.145) 1.404 7.534 ( -0.588 2.280 -0.908) 2.524 7.679 ( -1.607 -3.634 1.843) 4.380 7.773 ( -0.923 2.697 2.957) 4.107 7.843 ( -1.595 1.653 0.270) 2.313 7.899 ( -1.067 -2.898 2.849) 4.202 7.930 ( -1.078 -3.143 0.951) 3.457 8.116 ( 2.879 -1.773 -0.501) 3.418 8.204 ( 1.071 -7.038 1.168) 7.214 8.287 ( 1.885 4.827 4.481) 6.850 8.411 ( 0.730 -0.964 2.760) 3.014 8.521 ( 0.248 3.057 0.743) 3.155 8.651 ( 0.063 -2.835 0.479) 2.875 8.898 ( 3.442 2.911 -3.312) 5.594 8.979 ( 1.362 -0.556 -2.377) 2.795 9.192 ( -3.536 5.281 0.961) 6.428 9.360 ( -8.735 -3.329 2.128) 9.587 19.033 ( 0.605 2.742 0.319) 2.826 19.154 ( 0.380 -3.020 0.856) 3.162 19.375 ( 1.066 12.396 -2.201) 12.635 19.680 ( 2.055 -0.261 -3.436) 4.012 20.250 ( 1.123 1.694 1.428) 2.484 20.384 ( -0.493 -4.039 0.424) 4.091 20.726 ( 1.139 -0.293 -0.668) 1.353 20.881 ( -1.618 -6.540 -2.207) 7.089 ======================= Grid point 86 (44/128) ======================= q-point: (-0.44 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -10.968 3.607 -8.162) 14.139 1.780 ( -12.345 -0.698 -9.666) 15.695 2.271 ( -15.667 3.410 -1.091) 16.071 2.433 ( 2.005 13.971 2.858) 14.401 2.613 ( -5.796 -7.384 5.449) 10.854 2.741 ( 3.144 0.899 7.377) 8.069 2.779 ( 8.992 3.964 10.615) 14.466 2.970 ( -3.793 2.886 3.958) 6.196 3.008 ( -0.798 -6.145 3.807) 7.273 3.052 ( 6.492 2.008 0.393) 6.807 3.095 ( 4.348 0.605 -5.177) 6.787 3.390 ( -9.233 -7.236 -4.542) 12.580 3.446 ( 5.343 -7.077 5.340) 10.351 3.514 ( -1.251 -4.059 1.911) 4.657 3.700 ( -0.846 -5.365 5.864) 7.993 3.812 ( -3.361 -8.180 7.958) 11.897 3.912 ( -1.630 1.418 -3.785) 4.358 4.092 ( -2.069 -6.769 0.768) 7.120 4.316 ( -1.152 3.975 5.648) 7.002 4.382 ( -1.355 2.535 3.999) 4.925 4.437 ( -2.277 2.522 0.910) 3.518 4.539 ( 7.487 3.831 4.642) 9.606 4.579 ( -0.319 0.101 -1.496) 1.533 4.699 ( 2.852 -1.665 1.765) 3.744 4.814 ( 2.111 1.985 -1.218) 3.143 4.846 ( 0.220 5.795 -11.366) 12.760 4.874 ( -1.527 -2.295 -0.796) 2.870 4.986 ( 5.195 3.912 -8.665) 10.834 5.235 ( 2.663 0.851 -2.486) 3.741 5.250 ( 3.012 -0.746 -5.579) 6.384 5.365 ( -1.344 6.815 0.675) 6.979 5.541 ( 3.284 4.568 0.692) 5.668 5.670 ( 0.329 5.539 -0.102) 5.550 5.759 ( -2.982 -1.342 3.407) 4.722 5.819 ( 2.939 6.639 -4.013) 8.295 6.044 ( -1.529 -2.754 -5.708) 6.520 6.228 ( 0.987 1.819 -1.254) 2.420 6.291 ( -4.343 1.505 -1.781) 4.929 6.371 ( -3.019 -2.588 1.976) 4.440 6.506 ( -0.015 -2.372 1.960) 3.077 6.607 ( 1.806 -8.961 0.931) 9.188 6.740 ( 1.320 -7.061 0.167) 7.185 6.825 ( 0.391 0.336 -4.060) 4.093 6.893 ( 4.044 -1.686 -3.164) 5.404 7.152 ( 1.779 -0.161 0.626) 1.893 7.180 ( 4.152 -0.330 -1.695) 4.497 7.252 ( -2.579 1.862 -1.384) 3.469 7.329 ( -2.053 -0.721 -0.400) 2.213 7.541 ( 0.942 0.472 -3.322) 3.485 7.620 ( -4.099 -6.145 1.291) 7.499 7.757 ( -1.762 0.816 1.906) 2.721 7.831 ( -0.636 2.628 1.679) 3.183 7.885 ( 2.044 1.232 4.173) 4.807 7.963 ( -0.517 -5.545 -0.460) 5.588 8.143 ( 2.089 2.064 2.398) 3.791 8.290 ( 3.080 -5.337 0.272) 6.168 8.406 ( 4.995 3.456 8.876) 10.755 8.439 ( -1.438 1.731 6.655) 7.025 8.544 ( 1.319 1.455 1.692) 2.592 8.629 ( -1.839 -1.328 -0.302) 2.288 8.911 ( -0.180 2.059 -2.770) 3.456 9.012 ( 2.592 -2.538 -1.551) 3.945 9.114 ( -4.071 4.514 -2.025) 6.406 9.229 ( -3.085 -1.664 -3.346) 4.845 19.049 ( 0.397 2.807 1.126) 3.050 19.151 ( -1.250 -1.650 0.618) 2.160 19.364 ( -0.242 10.738 -2.291) 10.982 19.641 ( -2.265 -0.561 -4.975) 5.495 20.306 ( 2.029 2.174 3.709) 4.754 20.459 ( 5.676 -3.683 3.358) 7.553 20.686 ( -3.165 0.697 -2.440) 4.057 20.891 ( 4.308 -7.976 -2.476) 9.397 ======================= Grid point 87 (45/128) ======================= q-point: (-0.33 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -17.762 3.027 -11.036) 21.130 1.483 ( -10.009 0.432 -6.709) 12.057 1.945 ( -15.512 0.023 -1.626) 15.597 2.372 ( -16.127 -12.031 4.692) 20.660 2.531 ( 4.979 9.135 3.206) 10.886 2.831 ( -3.367 8.183 4.030) 9.723 2.929 ( -1.904 1.169 3.482) 4.137 2.985 ( -5.624 3.062 -1.894) 6.678 3.035 ( -1.498 -4.743 13.416) 14.308 3.125 ( 0.895 -5.754 -1.745) 6.079 3.165 ( 3.376 6.133 3.902) 8.015 3.298 ( 7.912 3.095 9.579) 12.803 3.448 ( -5.212 -0.995 1.372) 5.481 3.593 ( 3.664 -8.811 7.815) 12.334 3.696 ( 0.496 -3.668 0.166) 3.705 3.772 ( -1.295 -8.601 -2.059) 8.939 3.935 ( 0.812 -3.734 2.428) 4.527 4.066 ( -0.223 -8.587 -2.180) 8.862 4.251 ( -8.931 6.562 -0.256) 11.086 4.336 ( -6.846 1.546 4.926) 8.574 4.403 ( -1.026 3.740 -1.757) 4.258 4.534 ( -2.964 0.413 -3.343) 4.486 4.612 ( -1.784 2.071 1.677) 3.207 4.742 ( -1.806 -0.135 -0.651) 1.924 4.783 ( 3.891 0.140 -1.297) 4.104 4.834 ( 3.011 1.088 -3.876) 5.027 4.931 ( 8.652 7.231 -3.898) 11.931 5.105 ( 8.452 -0.292 -5.674) 10.184 5.257 ( 1.651 2.180 -4.264) 5.066 5.301 ( 3.532 -0.353 -1.745) 3.955 5.377 ( 2.397 10.217 2.328) 10.750 5.577 ( -1.217 3.424 3.379) 4.962 5.648 ( -0.828 2.018 -2.284) 3.159 5.705 ( 0.756 2.345 -2.751) 3.694 5.942 ( 5.995 -2.793 -5.288) 8.468 6.025 ( 4.970 -1.868 -0.817) 5.372 6.202 ( -2.458 2.837 0.442) 3.779 6.212 ( -2.434 -2.886 -1.441) 4.041 6.307 ( -1.589 4.019 -1.004) 4.437 6.510 ( -1.456 -6.810 0.574) 6.987 6.677 ( 2.305 -1.636 0.754) 2.925 6.734 ( 1.115 -7.012 -1.459) 7.249 6.824 ( 1.714 1.595 -3.933) 4.577 6.975 ( 3.467 -2.345 0.214) 4.191 7.150 ( -2.565 -4.102 -3.028) 5.708 7.212 ( 1.456 -3.084 -3.978) 5.240 7.268 ( 4.739 1.992 5.001) 7.172 7.348 ( 4.023 -2.007 4.464) 6.336 7.492 ( -2.216 -2.244 -2.108) 3.793 7.578 ( -0.926 -4.561 -1.896) 5.025 7.738 ( 0.079 4.341 -0.336) 4.355 7.893 ( 3.313 4.583 5.079) 7.601 7.944 ( 0.726 -4.708 -1.664) 5.046 7.978 ( 2.736 1.575 2.864) 4.262 8.203 ( 0.745 1.436 0.345) 1.654 8.298 ( -0.638 -3.647 1.279) 3.917 8.452 ( -2.487 2.675 5.811) 6.864 8.547 ( -1.574 -1.816 6.157) 6.610 8.583 ( 0.452 2.997 2.376) 3.851 8.616 ( 2.971 2.246 3.412) 5.051 8.868 ( -1.982 2.281 0.667) 3.095 8.987 ( -2.607 -0.895 -0.539) 2.809 9.090 ( 2.523 0.267 -1.344) 2.871 9.189 ( 2.538 -2.141 -7.595) 8.289 19.060 ( -0.724 3.198 1.342) 3.543 19.117 ( -2.154 1.561 0.170) 2.666 19.334 ( -1.390 5.877 -1.463) 6.214 19.541 ( -3.587 -2.516 -4.945) 6.607 20.359 ( 0.407 2.608 2.166) 3.415 20.518 ( -3.665 -3.533 -0.479) 5.113 20.702 ( 8.113 4.183 1.167) 9.202 20.991 ( 8.119 -8.867 -3.282) 12.462 ======================= Grid point 88 (46/128) ======================= q-point: (-0.22 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -13.949 9.443 -11.088) 20.166 1.308 ( -7.987 8.629 4.593) 12.623 1.681 ( -6.948 -8.849 -8.558) 14.136 2.122 ( -13.396 -11.832 5.458) 18.688 2.478 ( -20.274 16.994 1.936) 26.525 2.690 ( 2.050 8.647 4.171) 9.817 2.915 ( 0.407 -2.063 -0.183) 2.111 2.963 ( -1.004 3.551 2.805) 4.636 3.039 ( -6.720 -4.884 12.912) 15.353 3.178 ( -0.036 -2.166 -1.893) 2.876 3.261 ( 0.359 0.918 7.631) 7.694 3.407 ( 1.391 -1.495 2.463) 3.200 3.501 ( 1.749 -1.023 9.903) 10.108 3.630 ( -7.631 -12.982 6.713) 16.488 3.734 ( 1.849 -2.479 3.533) 4.695 3.785 ( 2.907 -5.257 -3.286) 6.847 3.920 ( -1.961 -1.589 1.838) 3.122 4.043 ( 1.121 -2.394 -7.343) 7.804 4.135 ( 3.676 0.409 -5.066) 6.273 4.191 ( -6.228 -3.281 1.756) 7.255 4.368 ( 0.250 6.272 -5.026) 8.042 4.472 ( -0.202 2.494 -1.954) 3.175 4.604 ( -1.695 2.205 4.654) 5.421 4.738 ( -1.909 -3.411 3.859) 5.493 4.842 ( 5.069 7.400 -3.212) 9.527 4.898 ( 4.807 2.176 -1.562) 5.503 5.017 ( 2.810 2.141 -6.937) 7.785 5.130 ( 0.304 0.980 -9.157) 9.214 5.222 ( -0.530 2.562 -3.138) 4.086 5.312 ( -0.916 -2.307 -4.966) 5.551 5.438 ( 0.662 3.368 1.204) 3.637 5.559 ( -1.312 3.643 1.808) 4.274 5.657 ( 2.606 0.793 -0.348) 2.746 5.784 ( 6.489 -0.592 -0.382) 6.527 5.933 ( -2.129 -0.534 0.198) 2.203 6.132 ( 0.805 -7.232 -1.057) 7.353 6.144 ( 0.608 3.339 0.612) 3.449 6.260 ( 5.849 2.459 -3.620) 7.305 6.304 ( 1.958 6.100 1.725) 6.635 6.459 ( -4.148 -4.337 0.032) 6.001 6.663 ( 0.144 0.392 -0.283) 0.504 6.754 ( 0.067 6.343 -3.999) 7.499 6.863 ( 5.396 -3.901 -2.140) 6.994 7.032 ( 3.380 -3.974 1.952) 5.571 7.114 ( 2.044 -6.738 -3.922) 8.059 7.230 ( 1.110 -6.679 0.022) 6.770 7.413 ( 3.579 0.633 6.274) 7.251 7.440 ( -0.213 0.628 -1.209) 1.379 7.490 ( 3.927 -2.718 5.761) 7.483 7.562 ( 1.731 -3.333 -1.750) 4.143 7.775 ( 3.885 6.497 -0.665) 7.599 7.949 ( 0.827 -0.678 -2.885) 3.077 7.960 ( -0.122 3.833 -0.028) 3.836 8.053 ( 4.086 -1.602 1.640) 4.685 8.149 ( -3.241 0.054 -0.462) 3.275 8.297 ( -3.223 -5.180 1.543) 6.293 8.412 ( -4.396 3.595 1.073) 5.779 8.517 ( -2.710 -0.037 -3.331) 4.294 8.566 ( -0.692 4.684 4.536) 6.557 8.728 ( 1.654 -0.626 4.870) 5.181 8.882 ( 1.350 1.749 3.483) 4.125 8.971 ( 1.077 0.527 -0.019) 1.199 9.157 ( 2.643 -2.371 7.473) 8.274 9.203 ( 3.901 -2.116 -4.348) 6.213 19.014 ( -3.882 4.775 -0.353) 6.164 19.103 ( -0.231 2.266 1.450) 2.699 19.277 ( -3.718 1.689 -1.777) 4.453 19.447 ( -2.288 -5.174 -3.605) 6.708 20.339 ( -2.317 1.165 -1.649) 3.074 20.425 ( -4.377 -1.697 -0.549) 4.726 20.897 ( 9.857 5.279 0.534) 11.194 21.135 ( 9.480 -5.270 -5.816) 12.307 ======================= Grid point 89 (47/128) ======================= q-point: (-0.11 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.738 ( 4.011 22.299 -5.627) 23.345 1.180 ( -10.889 22.111 7.441) 25.746 1.578 ( 1.352 -8.694 -3.782) 9.576 1.943 ( -9.783 -8.573 6.450) 14.519 2.185 ( -10.289 9.515 7.360) 15.829 2.721 ( -2.599 4.655 1.118) 5.447 2.900 ( -4.310 -5.073 -2.747) 7.202 2.956 ( -6.852 -2.708 6.869) 10.074 2.960 ( 1.127 0.555 -3.476) 3.696 3.154 ( -0.008 -4.096 0.077) 4.097 3.215 ( -8.320 1.943 2.482) 8.898 3.464 ( -2.778 -8.067 -0.693) 8.560 3.504 ( -3.548 -2.876 7.392) 8.689 3.511 ( -5.949 -3.373 5.688) 8.895 3.730 ( -3.587 -4.549 1.928) 6.105 3.837 ( 3.280 -7.639 5.531) 9.985 3.945 ( 2.480 2.507 0.061) 3.527 4.085 ( 7.483 6.986 -2.370) 10.508 4.176 ( 0.351 -4.592 1.132) 4.742 4.268 ( 9.740 3.835 -5.543) 11.845 4.381 ( 6.830 2.756 -2.398) 7.745 4.504 ( 3.094 -0.744 -0.502) 3.222 4.593 ( -3.748 3.045 4.858) 6.849 4.716 ( -3.588 -2.874 4.563) 6.477 4.865 ( -0.248 7.347 -4.134) 8.433 4.977 ( 4.906 2.212 -2.207) 5.817 5.003 ( 2.627 2.085 -5.673) 6.590 5.029 ( -2.181 -0.494 -8.105) 8.408 5.136 ( -3.822 0.204 -6.567) 7.601 5.286 ( 2.400 -3.306 -1.774) 4.454 5.435 ( -2.083 -1.269 4.012) 4.695 5.565 ( -0.484 -0.013 0.955) 1.071 5.710 ( 2.475 3.170 -0.457) 4.048 5.822 ( -0.581 0.898 -3.130) 3.307 5.937 ( 0.582 -3.715 3.487) 5.128 6.101 ( 0.719 -4.756 -1.391) 5.007 6.149 ( -2.199 1.202 -2.198) 3.333 6.321 ( 0.348 2.597 -2.077) 3.344 6.335 ( -2.619 -0.898 -0.479) 2.810 6.406 ( 1.975 4.282 2.457) 5.317 6.722 ( 4.151 6.807 0.067) 7.973 6.762 ( 4.579 10.257 -2.129) 11.433 6.933 ( 2.888 -2.565 -1.890) 4.300 7.117 ( 1.437 -4.080 -2.899) 5.207 7.175 ( 6.713 -6.669 -1.629) 9.601 7.241 ( 0.275 -5.937 3.644) 6.971 7.415 ( 0.003 0.853 -0.815) 1.179 7.480 ( 0.955 -1.748 -0.792) 2.144 7.577 ( 1.811 -0.655 3.866) 4.319 7.633 ( 2.047 -2.707 3.046) 4.560 7.827 ( 1.076 5.563 -0.794) 5.722 7.919 ( 0.887 1.878 -3.113) 3.742 7.955 ( 0.261 2.292 0.392) 2.340 8.074 ( -2.144 -2.158 0.081) 3.043 8.160 ( 1.171 -3.031 2.036) 3.834 8.217 ( -3.860 -3.376 -1.803) 5.436 8.312 ( -4.239 6.181 -3.279) 8.180 8.428 ( -2.051 1.702 -3.537) 4.429 8.590 ( -0.072 1.095 -1.533) 1.885 8.722 ( -1.931 -3.900 -2.793) 5.171 8.963 ( 2.064 1.980 5.696) 6.374 8.989 ( 0.590 1.621 -0.072) 1.726 9.271 ( 3.983 -1.299 4.174) 5.914 9.326 ( 2.442 -6.820 18.210) 19.598 18.942 ( -2.662 4.631 -0.194) 5.346 19.111 ( -0.147 1.043 1.428) 1.774 19.168 ( -4.876 0.560 -2.618) 5.563 19.403 ( -0.417 -6.337 -2.024) 6.665 20.285 ( -0.934 1.268 -1.586) 2.235 20.352 ( -2.772 -1.568 0.556) 3.233 21.057 ( 6.574 6.486 -2.418) 9.546 21.229 ( 6.648 0.216 -12.464) 14.127 ======================= Grid point 90 (48/128) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 4.622 -19.046 -3.700) 19.945 1.303 ( 4.622 19.046 -3.700) 19.945 1.579 ( 1.349 -20.372 6.039) 21.291 1.579 ( 1.349 20.372 6.039) 21.291 2.503 ( -3.529 -19.434 6.135) 20.682 2.503 ( -3.529 19.434 6.135) 20.682 2.716 ( -6.693 -8.591 2.238) 11.118 2.716 ( -6.693 8.591 2.238) 11.118 2.993 ( 2.405 -1.809 -7.199) 7.803 2.993 ( 2.405 1.809 -7.199) 7.803 3.238 ( -3.313 -7.520 -2.419) 8.566 3.238 ( -3.313 7.520 -2.419) 8.566 3.505 ( -2.216 -2.352 7.695) 8.346 3.505 ( -2.216 2.352 7.695) 8.346 3.712 ( -1.210 -6.364 5.163) 8.284 3.712 ( -1.210 6.364 5.163) 8.284 4.093 ( 1.419 -6.320 -2.812) 7.061 4.093 ( 1.419 6.320 -2.812) 7.061 4.385 ( 0.048 -6.239 -0.776) 6.287 4.385 ( 0.048 6.239 -0.776) 6.287 4.502 ( 0.957 -3.807 -1.422) 4.175 4.502 ( 0.957 3.807 -1.422) 4.175 4.638 ( -0.047 -2.722 3.462) 4.404 4.638 ( -0.047 2.722 3.462) 4.404 4.889 ( 3.094 -2.299 -2.862) 4.801 4.889 ( 3.094 2.299 -2.862) 4.801 5.069 ( 3.548 -1.680 -1.051) 4.064 5.069 ( 3.548 1.680 -1.051) 4.064 5.212 ( 4.435 -7.550 -0.210) 8.759 5.212 ( 4.435 7.550 -0.210) 8.759 5.477 ( -3.330 -4.160 5.177) 7.430 5.477 ( -3.330 4.160 5.177) 7.430 5.782 ( -1.669 -2.442 -2.646) 3.968 5.782 ( -1.669 2.442 -2.646) 3.968 5.997 ( 2.485 -6.667 -2.313) 7.481 5.997 ( 2.485 6.667 -2.313) 7.481 6.156 ( -0.298 -4.743 -0.527) 4.781 6.156 ( -0.298 4.743 -0.527) 4.781 6.442 ( -0.370 -3.799 -1.825) 4.231 6.442 ( -0.370 3.799 -1.825) 4.231 6.847 ( 0.892 -3.158 -4.730) 5.757 6.847 ( 0.892 3.158 -4.730) 5.757 7.065 ( -5.534 -5.107 -3.488) 8.299 7.065 ( -5.534 5.107 -3.488) 8.299 7.154 ( 3.781 -12.641 5.265) 14.205 7.154 ( 3.781 12.641 5.265) 14.205 7.466 ( 2.433 -2.643 -1.511) 3.897 7.466 ( 2.433 2.643 -1.511) 3.897 7.616 ( -1.461 -0.998 2.949) 3.439 7.616 ( -1.461 0.998 2.949) 3.439 7.943 ( 1.356 -3.687 0.650) 3.982 7.943 ( 1.356 3.687 0.650) 3.982 7.985 ( -0.405 -1.543 2.482) 2.951 7.985 ( -0.405 1.543 2.482) 2.951 8.100 ( -2.115 -1.356 -3.732) 4.499 8.100 ( -2.115 1.356 -3.732) 4.499 8.348 ( -1.313 -5.766 -4.787) 7.609 8.348 ( -1.313 5.766 -4.787) 7.609 8.593 ( -0.640 -2.643 -5.054) 5.739 8.593 ( -0.640 2.643 -5.054) 5.739 9.044 ( -0.735 -2.000 6.333) 6.682 9.044 ( -0.735 2.000 6.333) 6.682 9.349 ( -0.549 -0.407 9.098) 9.124 9.349 ( -0.549 0.407 9.098) 9.124 19.010 ( 0.290 -4.771 0.719) 4.834 19.010 ( 0.290 4.771 0.719) 4.834 19.257 ( 0.967 -7.191 -1.361) 7.382 19.257 ( 0.967 7.191 -1.361) 7.382 20.324 ( 1.582 -1.159 1.935) 2.755 20.324 ( 1.582 1.159 1.935) 2.755 21.180 ( -0.327 -4.214 -9.628) 10.515 21.180 ( -0.327 4.214 -9.628) 10.515 ======================= Grid point 92 (49/128) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 7.552 -14.668 4.289) 17.047 1.399 ( 7.552 14.668 4.289) 17.047 1.675 ( 2.466 -16.261 6.553) 17.704 1.675 ( 2.466 16.261 6.553) 17.704 2.475 ( 1.083 -3.169 -7.597) 8.303 2.475 ( 1.083 3.169 -7.597) 8.303 2.759 ( 6.064 -11.497 6.315) 14.451 2.759 ( 6.064 11.497 6.315) 14.451 3.000 ( 3.834 -7.037 -6.003) 10.012 3.000 ( 3.834 7.037 -6.003) 10.012 3.149 ( -4.819 -6.665 0.202) 8.227 3.149 ( -4.819 6.665 0.202) 8.227 3.533 ( -1.726 -2.294 7.582) 8.107 3.533 ( -1.726 2.294 7.582) 8.107 3.725 ( -1.252 -7.095 5.151) 8.857 3.725 ( -1.252 7.095 5.151) 8.857 4.063 ( -0.654 -5.864 -3.306) 6.763 4.063 ( -0.654 5.864 -3.306) 6.763 4.314 ( -5.778 -3.259 1.031) 6.713 4.314 ( -5.778 3.259 1.031) 6.713 4.457 ( -1.594 -7.820 -3.675) 8.787 4.457 ( -1.594 7.820 -3.675) 8.787 4.681 ( 0.332 -1.220 4.016) 4.210 4.681 ( 0.332 1.220 4.016) 4.210 4.924 ( 1.671 -2.762 -1.981) 3.788 4.924 ( 1.671 2.762 -1.981) 3.788 5.210 ( 6.433 -6.842 -5.194) 10.732 5.210 ( 6.433 6.842 -5.194) 10.732 5.283 ( 2.695 -3.096 4.756) 6.282 5.283 ( 2.695 3.096 4.756) 6.282 5.440 ( -3.107 -5.853 2.500) 7.082 5.440 ( -3.107 5.853 2.500) 7.082 5.727 ( -0.209 -0.857 -2.148) 2.322 5.727 ( -0.209 0.857 -2.148) 2.322 6.028 ( 2.415 -7.307 -1.709) 7.883 6.028 ( 2.415 7.307 -1.709) 7.883 6.205 ( 3.821 -6.130 0.960) 7.287 6.205 ( 3.821 6.130 0.960) 7.287 6.406 ( -1.443 -4.036 -1.253) 4.465 6.406 ( -1.443 4.036 -1.253) 4.465 6.798 ( -4.653 -3.172 -5.592) 7.936 6.798 ( -4.653 3.172 -5.592) 7.936 6.888 ( -4.697 -5.367 -2.995) 7.735 6.888 ( -4.697 5.367 -2.995) 7.735 7.229 ( -0.032 -10.532 4.329) 11.387 7.229 ( -0.032 10.532 4.329) 11.387 7.493 ( -2.095 -3.392 1.801) 4.375 7.493 ( -2.095 3.392 1.801) 4.375 7.583 ( -1.522 -3.856 2.137) 4.664 7.583 ( -1.522 3.856 2.137) 4.664 7.947 ( -1.137 -4.253 -4.113) 6.025 7.947 ( -1.137 4.253 -4.113) 6.025 8.010 ( -1.774 -2.892 -0.145) 3.396 8.010 ( -1.774 2.892 -0.145) 3.396 8.072 ( 4.058 -2.207 1.661) 4.909 8.072 ( 4.058 2.207 1.661) 4.909 8.291 ( -0.859 -5.651 -3.965) 6.956 8.291 ( -0.859 5.651 -3.965) 6.956 8.547 ( 0.445 -1.556 -6.098) 6.309 8.547 ( 0.445 1.556 -6.098) 6.309 9.040 ( -4.519 -3.395 6.012) 8.252 9.040 ( -4.519 3.395 6.012) 8.252 9.393 ( -1.576 -4.776 8.482) 9.860 9.393 ( -1.576 4.776 8.482) 9.860 19.041 ( 1.673 -3.209 0.317) 3.632 19.041 ( 1.673 3.209 0.317) 3.632 19.299 ( 4.445 -5.880 -0.831) 7.418 19.299 ( 4.445 5.880 -0.831) 7.418 20.388 ( 2.424 -0.579 2.679) 3.659 20.388 ( 2.424 0.579 2.679) 3.659 21.038 ( -5.376 -5.403 -10.165) 12.705 21.038 ( -5.376 5.403 -10.165) 12.705 ======================= Grid point 94 (50/128) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 13.101 -10.689 11.113) 20.233 1.673 ( 13.101 10.689 11.113) 20.233 1.798 ( 8.040 -11.279 2.982) 14.169 1.798 ( 8.040 11.279 2.982) 14.169 2.478 ( 3.623 -3.566 -3.665) 6.267 2.478 ( 3.623 3.566 -3.665) 6.267 2.877 ( 5.731 -4.380 -7.918) 10.711 2.877 ( 5.731 4.380 -7.918) 10.711 2.966 ( -4.791 -8.319 -4.820) 10.742 2.966 ( -4.791 8.319 -4.820) 10.742 3.177 ( 4.893 -5.581 9.636) 12.163 3.177 ( 4.893 5.581 9.636) 12.163 3.516 ( -5.906 -6.304 6.950) 11.088 3.516 ( -5.906 6.304 6.950) 11.088 3.734 ( -2.326 -6.817 4.102) 8.290 3.734 ( -2.326 6.817 4.102) 8.290 4.079 ( 3.347 -2.430 -1.670) 4.460 4.079 ( 3.347 2.430 -1.670) 4.460 4.225 ( -2.557 -4.363 1.300) 5.221 4.225 ( -2.557 4.363 1.300) 5.221 4.405 ( -0.764 -7.917 -3.920) 8.867 4.405 ( -0.764 7.917 -3.920) 8.867 4.689 ( -1.578 -0.363 2.558) 3.028 4.689 ( -1.578 0.363 2.558) 3.028 4.927 ( -1.585 -6.529 0.401) 6.730 4.927 ( -1.585 6.529 0.401) 6.730 5.169 ( -1.869 -1.289 -7.151) 7.503 5.169 ( -1.869 1.289 -7.151) 7.503 5.350 ( 1.639 -6.548 -1.709) 6.963 5.350 ( 1.639 6.548 -1.709) 6.963 5.397 ( -2.315 -6.238 -2.685) 7.175 5.397 ( -2.315 6.238 -2.685) 7.175 5.768 ( 2.742 -1.907 2.996) 4.487 5.768 ( 2.742 1.907 2.996) 4.487 6.060 ( 1.394 -8.539 1.211) 8.736 6.060 ( 1.394 8.539 1.211) 8.736 6.270 ( 0.389 -2.835 3.198) 4.291 6.270 ( 0.389 2.835 3.198) 4.291 6.392 ( 0.353 -5.002 -0.602) 5.051 6.392 ( 0.353 5.002 -0.602) 5.051 6.603 ( -5.473 -3.914 -7.074) 9.763 6.603 ( -5.473 3.914 -7.074) 9.763 6.896 ( 3.067 -2.631 0.277) 4.051 6.896 ( 3.067 2.631 0.277) 4.051 7.245 ( 0.039 -5.360 1.757) 5.641 7.245 ( 0.039 5.360 1.757) 5.641 7.379 ( -8.926 -1.377 2.225) 9.301 7.379 ( -8.926 1.377 2.225) 9.301 7.635 ( 2.472 -5.981 3.941) 7.577 7.635 ( 2.472 5.981 3.941) 7.577 7.849 ( -3.871 -3.712 -6.039) 8.076 7.849 ( -3.871 3.712 -6.039) 8.076 7.958 ( -3.889 -6.093 2.915) 7.794 7.958 ( -3.889 6.093 2.915) 7.794 8.178 ( 4.185 -3.047 -2.750) 5.862 8.178 ( 4.185 3.047 -2.750) 5.862 8.253 ( -0.359 -4.904 -0.819) 4.985 8.253 ( -0.359 4.904 -0.819) 4.985 8.533 ( 2.673 -2.823 -4.585) 6.012 8.533 ( 2.673 2.823 -4.585) 6.012 8.983 ( -4.423 -4.188 3.597) 7.074 8.983 ( -4.423 4.188 3.597) 7.074 9.410 ( -3.123 -7.394 7.128) 10.734 9.410 ( -3.123 7.394 7.128) 10.734 19.065 ( 0.933 -2.248 -0.300) 2.452 19.065 ( 0.933 2.248 -0.300) 2.452 19.406 ( 6.632 -6.039 -0.541) 8.986 19.406 ( 6.632 6.039 -0.541) 8.986 20.420 ( -1.004 -4.127 -0.263) 4.256 20.420 ( -1.004 4.127 -0.263) 4.256 20.870 ( -4.472 -7.550 -5.689) 10.458 20.870 ( -4.472 7.550 -5.689) 10.458 ======================= Grid point 96 (51/128) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 6.869 -4.482 3.103) 8.769 1.920 ( 6.869 4.482 3.103) 8.769 2.121 ( 18.189 -10.350 7.081) 22.093 2.121 ( 18.189 10.350 7.081) 22.093 2.535 ( 2.706 -6.162 0.770) 6.774 2.535 ( 2.706 6.162 0.770) 6.774 2.816 ( -5.159 -4.856 -2.974) 7.683 2.816 ( -5.159 4.856 -2.974) 7.683 2.929 ( 5.132 -6.218 -6.044) 10.076 2.929 ( 5.132 6.218 -6.044) 10.076 3.334 ( 3.083 -3.536 6.562) 8.067 3.334 ( 3.083 3.536 6.562) 8.067 3.437 ( -6.775 -6.746 5.320) 10.941 3.437 ( -6.775 6.746 5.320) 10.941 3.669 ( -6.181 -1.259 2.160) 6.668 3.669 ( -6.181 1.259 2.160) 6.668 4.079 ( -1.346 -0.802 -0.949) 1.833 4.079 ( -1.346 0.802 -0.949) 1.833 4.266 ( 1.904 -2.229 3.472) 4.544 4.266 ( 1.904 2.229 3.472) 4.544 4.399 ( 3.123 -4.413 -2.230) 5.848 4.399 ( 3.123 4.413 -2.230) 5.848 4.676 ( -1.767 -1.883 2.488) 3.586 4.676 ( -1.767 1.883 2.488) 3.586 4.865 ( -2.887 -2.833 -2.465) 4.736 4.865 ( -2.887 2.833 -2.465) 4.736 5.086 ( -0.592 -4.942 -9.076) 10.351 5.086 ( -0.592 4.942 -9.076) 10.351 5.305 ( -0.909 -3.041 -6.015) 6.801 5.305 ( -0.909 3.041 -6.015) 6.801 5.381 ( 1.666 -5.407 0.402) 5.672 5.381 ( 1.666 5.407 0.402) 5.672 5.799 ( -2.912 -3.484 3.593) 5.790 5.799 ( -2.912 3.484 3.593) 5.790 6.123 ( 2.659 -5.576 4.201) 7.471 6.123 ( 2.659 5.576 4.201) 7.471 6.262 ( -2.415 -3.418 0.866) 4.274 6.262 ( -2.415 3.418 0.866) 4.274 6.350 ( -2.145 -5.757 -3.190) 6.922 6.350 ( -2.145 5.757 -3.190) 6.922 6.563 ( 3.136 -4.717 -1.975) 5.999 6.563 ( 3.136 4.717 -1.975) 5.999 6.938 ( -0.345 -2.804 0.333) 2.845 6.938 ( -0.345 2.804 0.333) 2.845 7.229 ( -6.182 -2.037 0.000) 6.509 7.229 ( -6.182 2.037 0.000) 6.509 7.277 ( 2.444 -2.804 -0.373) 3.738 7.277 ( 2.444 2.804 -0.373) 3.738 7.661 ( -3.981 -3.422 1.175) 5.379 7.661 ( -3.981 3.422 1.175) 5.379 7.788 ( 1.778 -0.972 2.260) 3.035 7.788 ( 1.778 0.972 2.260) 3.035 7.919 ( -2.547 -4.536 2.571) 5.803 7.919 ( -2.547 4.536 2.571) 5.803 8.131 ( -2.129 -4.779 -5.607) 7.669 8.131 ( -2.129 4.779 -5.607) 7.669 8.307 ( 2.814 -3.841 1.828) 5.101 8.307 ( 2.814 3.841 1.828) 5.101 8.567 ( 2.528 -2.836 -1.703) 4.163 8.567 ( 2.528 2.836 -1.703) 4.163 8.944 ( -0.920 -3.370 0.406) 3.517 8.944 ( -0.920 3.370 0.406) 3.517 9.374 ( -5.244 -6.762 4.653) 9.740 9.374 ( -5.244 6.762 4.653) 9.740 19.079 ( 0.687 -2.989 0.006) 3.067 19.079 ( 0.687 2.989 0.006) 3.067 19.525 ( 5.871 -7.552 -1.275) 9.651 19.525 ( 5.871 7.552 -1.275) 9.651 20.352 ( -3.579 -5.625 -2.408) 7.088 20.352 ( -3.579 5.625 -2.408) 7.088 20.795 ( -1.445 -7.275 -1.064) 7.493 20.795 ( -1.445 7.275 -1.064) 7.493 ======================= Grid point 98 (52/128) ======================= q-point: ( 0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( -2.332 -3.404 -6.741) 7.904 1.964 ( -2.332 3.404 -6.741) 7.904 2.479 ( 10.315 -7.056 8.672) 15.211 2.479 ( 10.315 7.056 8.672) 15.211 2.584 ( 3.236 -5.558 -1.802) 6.680 2.584 ( 3.236 5.558 -1.802) 6.680 2.731 ( -4.811 -6.729 5.379) 9.867 2.731 ( -4.811 6.729 5.379) 9.867 3.024 ( 6.923 -10.007 0.820) 12.196 3.024 ( 6.923 10.007 0.820) 12.196 3.274 ( -8.946 -2.626 -5.310) 10.730 3.274 ( -8.946 2.626 -5.310) 10.730 3.392 ( 0.416 -6.599 1.302) 6.739 3.392 ( 0.416 6.599 1.302) 6.739 3.646 ( -0.772 -5.450 10.703) 12.035 3.646 ( -0.772 5.450 10.703) 12.035 4.035 ( -2.672 -3.054 -0.680) 4.114 4.035 ( -2.672 3.054 -0.680) 4.114 4.324 ( 0.432 -2.248 7.837) 8.165 4.324 ( 0.432 2.248 7.837) 8.165 4.450 ( 2.673 -2.023 -1.133) 3.538 4.450 ( 2.673 2.023 -1.133) 3.538 4.657 ( -1.724 -3.165 1.816) 4.036 4.657 ( -1.724 3.165 1.816) 4.036 4.822 ( 0.608 -1.273 -2.045) 2.484 4.822 ( 0.608 1.273 -2.045) 2.484 5.008 ( 1.502 -3.484 -12.473) 13.037 5.008 ( 1.502 3.484 -12.473) 13.037 5.265 ( 0.321 -2.592 -6.042) 6.582 5.265 ( 0.321 2.592 -6.042) 6.582 5.452 ( 4.324 -4.692 2.117) 6.723 5.452 ( 4.324 4.692 2.117) 6.723 5.741 ( -4.564 -3.056 3.686) 6.615 5.741 ( -4.564 3.056 3.686) 6.615 6.098 ( -4.163 -4.899 -6.407) 9.076 6.098 ( -4.163 4.899 -6.407) 9.076 6.288 ( 0.277 -3.074 4.794) 5.702 6.288 ( 0.277 3.074 4.794) 5.702 6.326 ( 2.585 -3.388 0.752) 4.328 6.326 ( 2.585 3.388 0.752) 4.328 6.598 ( 0.085 -6.061 -0.024) 6.062 6.598 ( 0.085 6.061 -0.024) 6.062 6.886 ( -1.825 -3.037 -4.168) 5.470 6.886 ( -1.825 3.037 -4.168) 5.470 7.155 ( -1.092 -1.173 -0.865) 1.821 7.155 ( -1.092 1.173 -0.865) 1.821 7.322 ( 1.595 -1.756 -0.806) 2.505 7.322 ( 1.595 1.756 -0.806) 2.505 7.588 ( -3.264 -4.362 1.360) 5.615 7.588 ( -3.264 4.362 1.360) 5.615 7.847 ( -0.611 -3.297 1.638) 3.732 7.847 ( -0.610 3.297 1.638) 3.732 7.879 ( -1.817 -1.630 1.369) 2.799 7.879 ( -1.817 1.630 1.369) 2.799 8.110 ( 3.007 -2.238 0.574) 3.793 8.110 ( 3.007 2.238 0.574) 3.793 8.369 ( 1.947 -3.407 3.518) 5.270 8.369 ( 1.947 3.407 3.518) 5.270 8.588 ( 0.230 -3.644 0.217) 3.658 8.588 ( 0.230 3.644 0.217) 3.658 8.951 ( 1.912 -2.306 -2.363) 3.815 8.951 ( 1.912 2.306 -2.363) 3.815 9.286 ( -5.935 -4.437 1.399) 7.541 9.286 ( -5.935 4.437 1.399) 7.541 19.093 ( 0.447 -3.261 0.707) 3.367 19.093 ( 0.447 3.261 0.707) 3.367 19.590 ( 2.106 -8.910 -3.177) 9.691 19.590 ( 2.106 8.910 -3.177) 9.691 20.305 ( 0.326 -3.867 0.881) 3.979 20.305 ( 0.326 3.867 0.881) 3.979 20.768 ( -0.857 -4.554 -1.037) 4.749 20.768 ( -0.857 4.554 -1.037) 4.749 ======================= Grid point 100 (53/128) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( -11.181 -2.503 -11.830) 16.469 1.748 ( -11.181 2.503 -11.830) 16.469 2.410 ( -14.787 -10.560 2.012) 18.282 2.410 ( -14.787 10.560 2.012) 18.282 2.709 ( -0.569 -13.827 3.424) 14.256 2.709 ( -0.569 13.827 3.424) 14.256 2.800 ( 10.062 -1.816 7.312) 12.571 2.800 ( 10.062 1.816 7.312) 12.571 3.090 ( -3.470 -5.274 -3.030) 7.003 3.090 ( -3.470 5.274 -3.030) 7.003 3.205 ( 6.528 -10.113 4.908) 12.999 3.205 ( 6.528 10.113 4.908) 12.999 3.422 ( 1.103 -5.435 1.512) 5.748 3.422 ( 1.103 5.435 1.512) 5.748 3.687 ( -3.692 -4.092 7.252) 9.109 3.687 ( -3.692 4.092 7.252) 9.109 3.974 ( -2.452 -4.801 -1.312) 5.549 3.974 ( -2.452 4.801 -1.312) 5.549 4.399 ( -0.894 -2.971 8.889) 9.415 4.399 ( -0.894 2.971 8.889) 9.415 4.474 ( 0.054 -2.751 0.465) 2.790 4.474 ( 0.054 2.751 0.465) 2.790 4.665 ( 1.291 -3.178 1.822) 3.884 4.665 ( 1.291 3.178 1.822) 3.884 4.837 ( 1.073 -1.017 -2.487) 2.894 4.837 ( 1.073 1.017 -2.487) 2.894 4.970 ( 4.865 -5.214 -10.571) 12.752 4.970 ( 4.865 5.214 -10.571) 12.752 5.229 ( 2.205 -1.029 -5.461) 5.978 5.229 ( 2.205 1.029 -5.461) 5.978 5.535 ( 1.948 -6.848 0.969) 7.185 5.535 ( 1.948 6.848 0.969) 7.185 5.713 ( -0.369 -0.692 1.186) 1.422 5.713 ( -0.369 0.692 1.186) 1.422 5.970 ( -2.744 -5.703 -6.000) 8.721 5.970 ( -2.744 5.703 -6.000) 8.721 6.278 ( -2.451 -2.500 1.541) 3.825 6.278 ( -2.451 2.500 1.541) 3.825 6.401 ( 1.072 -6.890 1.627) 7.161 6.401 ( 1.072 6.890 1.627) 7.161 6.583 ( 0.746 -7.322 -1.002) 7.427 6.583 ( 0.746 7.322 -1.002) 7.427 6.864 ( 2.239 -2.007 -2.477) 3.896 6.864 ( 2.239 2.007 -2.477) 3.896 7.163 ( 1.963 -1.178 -0.792) 2.423 7.163 ( 1.963 1.178 -0.792) 2.423 7.301 ( -2.579 -2.301 -1.231) 3.670 7.301 ( -2.579 2.301 -1.231) 3.670 7.542 ( -1.826 -1.352 -1.755) 2.871 7.542 ( -1.826 1.352 -1.755) 2.871 7.824 ( -0.712 -5.279 1.357) 5.497 7.824 ( -0.712 5.279 1.357) 5.497 7.894 ( 1.305 -2.925 2.910) 4.328 7.894 ( 1.305 2.925 2.910) 4.328 8.202 ( 3.559 -3.864 1.567) 5.482 8.202 ( 3.559 3.864 1.567) 5.482 8.447 ( 1.427 -0.985 8.065) 8.250 8.447 ( 1.427 0.985 8.065) 8.250 8.589 ( 0.127 -2.764 0.454) 2.804 8.589 ( 0.127 2.764 0.454) 2.804 8.958 ( 0.135 -2.793 -2.167) 3.538 8.958 ( 0.135 2.793 -2.167) 3.538 9.186 ( -3.166 -2.948 -2.849) 5.180 9.186 ( -3.166 2.948 -2.849) 5.180 19.106 ( 0.028 -2.870 1.365) 3.178 19.106 ( 0.028 2.870 1.365) 3.178 19.556 ( -2.251 -8.104 -4.409) 9.497 19.556 ( -2.251 8.104 -4.409) 9.497 20.374 ( 3.848 -4.656 3.495) 6.979 20.374 ( 3.848 4.656 3.495) 6.979 20.751 ( 1.048 -5.933 -2.023) 6.355 20.751 ( 1.048 5.933 -2.023) 6.355 ======================= Grid point 102 (54/128) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( -11.987 -5.468 -12.971) 18.489 1.412 ( -11.987 5.468 -12.971) 18.489 2.103 ( -17.465 -13.835 3.844) 22.610 2.103 ( -17.465 13.835 3.844) 22.610 2.741 ( 1.571 -11.795 1.909) 12.052 2.741 ( 1.571 11.795 1.909) 12.052 2.999 ( 1.954 -3.218 8.813) 9.584 2.999 ( 1.954 3.218 8.813) 9.584 3.029 ( -1.160 -3.096 -0.345) 3.325 3.029 ( -1.160 3.096 -0.345) 3.325 3.343 ( 0.262 -4.724 6.215) 7.811 3.343 ( 0.262 4.724 6.215) 7.811 3.437 ( -1.507 -5.125 7.644) 9.325 3.437 ( -1.507 5.125 7.644) 9.325 3.657 ( 0.445 -1.853 -1.504) 2.427 3.657 ( 0.445 1.853 -1.504) 2.427 3.934 ( 0.169 -4.043 -1.820) 4.437 3.934 ( 0.169 4.043 -1.820) 4.437 4.338 ( -9.631 -2.250 1.817) 10.056 4.338 ( -9.631 2.250 1.817) 10.056 4.479 ( 0.552 -4.672 -1.419) 4.914 4.479 ( 0.552 4.672 -1.419) 4.914 4.684 ( -1.900 -4.155 2.971) 5.450 4.684 ( -1.900 4.155 2.971) 5.450 4.824 ( 3.625 -1.736 -4.548) 6.070 4.824 ( 3.625 1.736 -4.548) 6.070 5.060 ( 7.269 -4.731 -4.514) 9.777 5.060 ( 7.269 4.731 -4.514) 9.777 5.273 ( 3.912 -2.039 -4.493) 6.297 5.273 ( 3.912 2.039 -4.493) 6.297 5.561 ( 0.260 -6.116 2.480) 6.604 5.561 ( 0.260 6.116 2.480) 6.604 5.699 ( -0.799 -2.716 -2.659) 3.884 5.699 ( -0.799 2.716 -2.659) 3.884 5.952 ( 4.383 -3.916 -2.164) 6.264 5.952 ( 4.383 3.916 -2.164) 6.264 6.214 ( -3.352 -1.387 -0.593) 3.676 6.214 ( -3.352 1.387 -0.593) 3.676 6.411 ( -0.026 -4.745 -0.079) 4.746 6.411 ( -0.026 4.745 -0.079) 4.746 6.629 ( 3.962 -0.975 -0.367) 4.096 6.629 ( 3.962 0.975 -0.367) 4.096 6.903 ( 2.128 -4.850 -0.879) 5.369 6.903 ( 2.128 4.850 -0.879) 5.369 7.144 ( -2.396 -2.842 -4.104) 5.537 7.144 ( -2.396 2.842 -4.104) 5.537 7.310 ( 3.816 -2.184 4.825) 6.528 7.310 ( 3.816 2.184 4.825) 6.528 7.501 ( -0.558 -2.998 -2.499) 3.942 7.501 ( -0.558 2.998 -2.499) 3.942 7.838 ( 2.072 -5.779 -0.426) 6.154 7.838 ( 2.072 5.779 -0.426) 6.154 7.974 ( 2.838 -2.805 4.110) 5.729 7.974 ( 2.838 2.805 4.110) 5.729 8.229 ( -0.860 -2.213 -0.941) 2.554 8.229 ( -0.860 2.213 -0.941) 2.554 8.507 ( -2.183 -2.516 6.794) 7.567 8.507 ( -2.183 2.516 6.794) 7.567 8.630 ( 2.641 -1.143 3.444) 4.488 8.630 ( 2.641 1.143 3.444) 4.488 8.925 ( -1.997 -3.742 0.709) 4.301 8.925 ( -1.997 3.742 0.709) 4.301 9.138 ( 1.518 -3.112 -5.516) 6.513 9.138 ( 1.518 3.112 -5.516) 6.513 19.112 ( -0.716 -1.858 1.669) 2.598 19.112 ( -0.716 1.858 1.669) 2.598 19.455 ( -4.316 -6.068 -4.250) 8.574 19.455 ( -4.316 6.068 -4.250) 8.574 20.432 ( -0.705 -4.726 0.683) 4.827 20.432 ( -0.705 4.726 0.683) 4.827 20.825 ( 8.170 -8.063 -0.474) 11.488 20.825 ( 8.170 8.063 -0.474) 11.488 ======================= Grid point 104 (55/128) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -2.067 -15.616 -10.432) 18.894 1.169 ( -2.067 15.616 -10.432) 18.894 1.823 ( -14.586 -16.846 4.621) 22.757 1.823 ( -14.586 16.846 4.621) 22.757 2.753 ( -3.313 -8.806 -0.347) 9.415 2.753 ( -3.313 8.806 -0.347) 9.415 2.948 ( -8.011 -6.570 10.466) 14.727 2.948 ( -8.011 6.570 10.466) 14.727 3.050 ( -2.672 -8.547 2.045) 9.185 3.050 ( -2.672 8.547 2.045) 9.185 3.335 ( -0.283 -6.838 0.828) 6.894 3.335 ( -0.283 6.838 0.828) 6.894 3.486 ( -2.799 -1.328 10.757) 11.195 3.486 ( -2.799 1.328 10.757) 11.195 3.701 ( 2.151 -0.984 1.063) 2.593 3.701 ( 2.151 0.984 1.063) 2.593 3.966 ( 4.688 -4.399 -2.995) 7.092 3.966 ( 4.688 4.399 -2.995) 7.092 4.160 ( -3.752 -1.726 -2.734) 4.953 4.160 ( -3.752 1.726 -2.734) 4.953 4.465 ( 1.179 -3.307 -6.194) 7.120 4.465 ( 1.179 3.307 -6.194) 7.120 4.669 ( -2.406 -4.118 5.286) 7.119 4.669 ( -2.406 4.118 5.286) 7.119 4.915 ( 6.575 -0.314 -0.810) 6.632 4.915 ( 6.575 0.314 -0.810) 6.632 5.094 ( 0.411 -5.173 -7.719) 9.301 5.094 ( 0.411 5.173 -7.719) 9.301 5.249 ( -1.757 -3.052 -6.361) 7.271 5.249 ( -1.757 3.052 -6.361) 7.271 5.543 ( -3.722 -5.287 3.093) 7.167 5.543 ( -3.722 5.287 3.093) 7.167 5.721 ( 3.559 -5.364 0.528) 6.459 5.721 ( 3.559 5.364 0.528) 6.459 5.993 ( -0.955 -5.890 -1.149) 6.077 5.993 ( -0.955 5.890 -1.149) 6.077 6.238 ( 5.062 -4.977 0.871) 7.152 6.238 ( 5.062 4.977 0.871) 7.152 6.391 ( -0.881 -4.085 -1.065) 4.313 6.391 ( -0.881 4.085 -1.065) 4.313 6.727 ( 6.851 -6.812 -2.085) 9.883 6.727 ( 6.851 6.812 -2.085) 9.883 6.920 ( 1.707 -7.623 -1.803) 8.017 6.920 ( 1.707 7.623 -1.803) 8.017 7.102 ( 0.389 -4.897 -0.078) 4.914 7.102 ( 0.389 4.897 -0.078) 4.914 7.437 ( 2.356 -2.070 4.092) 5.156 7.437 ( 2.356 2.070 4.092) 5.156 7.495 ( 2.668 -3.442 0.330) 4.367 7.495 ( 2.668 3.442 0.330) 4.367 7.893 ( 3.455 -4.717 -1.211) 5.971 7.893 ( 3.455 4.717 -1.211) 5.971 8.023 ( 0.251 -1.868 0.015) 1.885 8.023 ( 0.251 1.868 0.015) 1.885 8.184 ( -2.910 -4.466 1.284) 5.483 8.184 ( -2.910 4.466 1.284) 5.483 8.480 ( -2.819 -2.912 0.075) 4.053 8.480 ( -2.819 2.912 0.075) 4.053 8.674 ( -1.149 -4.863 2.178) 5.451 8.674 ( -1.149 4.863 2.178) 5.451 8.936 ( 1.398 -3.281 3.327) 4.877 8.936 ( 1.398 3.281 3.327) 4.877 9.162 ( 3.489 -1.921 -0.068) 3.984 9.162 ( 3.489 1.921 -0.068) 3.984 19.095 ( -2.402 -3.075 1.124) 4.061 19.095 ( -2.402 3.075 1.124) 4.061 19.342 ( -3.894 -5.144 -3.314) 7.253 19.342 ( -3.894 5.144 -3.314) 7.253 20.379 ( -3.297 -2.687 -1.590) 4.540 20.379 ( -3.297 2.687 -1.590) 4.540 21.018 ( 10.771 -6.713 -1.086) 12.738 21.018 ( 10.771 6.713 -1.086) 12.738 ======================= Grid point 106 (56/128) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 9.334 -23.570 -6.869) 26.265 1.190 ( 9.334 23.570 -6.869) 26.265 1.620 ( -9.411 -21.070 4.498) 23.511 1.620 ( -9.411 21.070 4.498) 23.511 2.602 ( -11.266 -22.341 6.073) 25.747 2.602 ( -11.266 22.341 6.073) 25.747 2.864 ( -9.621 -6.148 7.328) 13.567 2.864 ( -9.621 6.148 7.328) 13.567 3.009 ( 0.758 -4.558 -5.256) 6.998 3.009 ( 0.758 4.558 -5.256) 6.998 3.313 ( -2.323 -6.966 -1.893) 7.583 3.313 ( -2.323 6.966 -1.893) 7.583 3.503 ( -3.527 -1.357 9.412) 10.143 3.503 ( -3.527 1.357 9.412) 10.143 3.698 ( -1.610 -3.822 3.167) 5.218 3.698 ( -1.610 3.822 3.167) 5.218 4.046 ( 4.663 -6.023 -1.781) 7.822 4.046 ( 4.663 6.023 -1.781) 7.822 4.252 ( 11.687 -5.199 -0.667) 12.809 4.252 ( 11.687 5.199 -0.667) 12.809 4.456 ( 3.181 -4.143 -5.628) 7.679 4.456 ( 3.181 4.143 -5.628) 7.679 4.655 ( -3.964 -3.419 6.134) 8.064 4.655 ( -3.964 3.419 6.134) 8.064 4.959 ( -4.386 -2.997 -6.427) 8.338 4.959 ( -4.386 2.997 -6.427) 8.338 5.045 ( 3.914 -2.550 -1.564) 4.926 5.045 ( 3.914 2.550 -1.564) 4.926 5.166 ( -0.036 -6.751 -5.806) 8.904 5.166 ( -0.036 6.751 -5.806) 8.904 5.501 ( -3.566 -5.624 4.903) 8.270 5.501 ( -3.566 5.624 4.903) 8.270 5.788 ( 2.131 -5.216 -0.024) 5.635 5.788 ( 2.131 5.216 -0.024) 5.635 5.970 ( 0.897 -6.716 -1.473) 6.934 5.970 ( 0.897 6.716 -1.473) 6.934 6.228 ( -4.895 -5.415 -0.538) 7.319 6.228 ( -4.895 5.415 -0.538) 7.319 6.428 ( 3.277 -3.066 -1.198) 4.645 6.428 ( 3.277 3.066 -1.198) 4.645 6.828 ( 5.119 -6.183 -4.374) 9.141 6.828 ( 5.119 6.183 -4.374) 9.141 6.995 ( 6.729 -11.601 0.580) 13.424 6.995 ( 6.729 11.601 0.580) 13.424 7.133 ( 0.584 -4.758 1.822) 5.128 7.133 ( 0.584 4.758 1.822) 5.128 7.446 ( 0.471 -1.978 -1.337) 2.433 7.446 ( 0.471 1.978 -1.337) 2.433 7.587 ( 1.974 -1.749 3.987) 4.781 7.587 ( 1.974 1.749 3.987) 4.781 7.921 ( 0.987 -2.885 -1.463) 3.382 7.921 ( 0.987 2.885 -1.463) 3.382 8.007 ( -1.866 -3.872 1.039) 4.422 8.007 ( -1.866 3.872 1.039) 4.422 8.149 ( -1.741 -2.111 0.278) 2.750 8.149 ( -1.741 2.111 0.278) 2.750 8.413 ( -2.005 -3.385 -4.260) 5.799 8.413 ( -2.005 3.385 -4.260) 5.799 8.643 ( -1.567 -4.035 -2.055) 4.792 8.643 ( -1.567 4.035 -2.055) 4.792 8.993 ( 1.357 -0.959 4.029) 4.358 8.993 ( 1.357 0.959 4.029) 4.358 9.262 ( 2.751 -0.805 7.721) 8.236 9.262 ( 2.751 0.805 7.721) 8.236 19.038 ( -3.235 -5.231 0.225) 6.155 19.038 ( -3.235 5.231 0.225) 6.155 19.272 ( -1.308 -6.979 -1.820) 7.330 19.272 ( -1.308 6.979 -1.820) 7.330 20.317 ( -1.562 -1.898 -0.475) 2.504 20.317 ( -1.562 1.898 -0.475) 2.504 21.173 ( 6.881 -5.168 -5.361) 10.139 21.173 ( 6.881 5.168 -5.361) 10.139 ======================= Grid point 126 (57/128) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 6.215 0.000 21.050) 21.948 1.047 ( 5.976 0.000 23.928) 24.663 1.821 ( 2.622 0.000 38.322) 38.412 2.048 ( -6.056 0.000 -8.293) 10.269 2.510 ( 0.097 0.000 4.423) 4.424 2.561 ( -8.115 0.000 -8.903) 12.046 2.627 ( 4.975 0.000 -7.718) 9.182 2.900 ( 1.856 0.000 3.481) 3.945 3.029 ( 0.050 0.000 5.679) 5.679 3.168 ( -7.385 0.000 -2.693) 7.861 3.329 ( 0.383 0.000 3.792) 3.811 3.341 ( -1.604 0.000 0.616) 1.718 3.456 ( -7.920 0.000 2.216) 8.224 3.710 ( 0.814 0.000 1.252) 1.493 3.739 ( -4.213 0.000 -2.910) 5.120 3.881 ( 0.107 0.000 -1.661) 1.664 3.998 ( 0.974 0.000 -4.285) 4.394 4.021 ( -0.185 0.000 -1.062) 1.078 4.098 ( -4.036 0.000 -3.216) 5.161 4.259 ( 1.588 0.000 -14.079) 14.169 4.345 ( -3.092 0.000 -1.770) 3.563 4.436 ( 0.704 0.000 -0.598) 0.924 4.515 ( -9.507 0.000 4.049) 10.333 4.737 ( 8.899 0.000 2.270) 9.184 4.831 ( -2.417 0.000 2.272) 3.317 4.920 ( 2.581 0.000 -0.087) 2.583 5.023 ( 0.625 0.000 3.683) 3.736 5.149 ( 9.040 0.000 1.160) 9.114 5.263 ( 6.907 0.000 6.350) 9.382 5.324 ( 3.270 0.000 -1.437) 3.572 5.451 ( 5.807 0.000 4.845) 7.562 5.526 ( -2.574 0.000 -2.298) 3.450 5.613 ( -0.901 0.000 -2.004) 2.197 5.774 ( -6.460 0.000 -4.554) 7.904 5.913 ( 4.743 0.000 -2.302) 5.272 6.090 ( 0.791 0.000 4.426) 4.496 6.150 ( 3.205 0.000 -9.763) 10.276 6.221 ( 1.321 0.000 2.895) 3.182 6.371 ( -1.067 0.000 3.304) 3.472 6.420 ( -0.849 0.000 2.553) 2.690 6.595 ( 0.199 0.000 -0.103) 0.225 6.711 ( 3.436 0.000 9.766) 10.353 6.822 ( -1.764 0.000 -5.717) 5.983 7.053 ( -4.297 0.000 -7.998) 9.079 7.192 ( 0.672 0.000 -1.889) 2.005 7.259 ( -3.069 0.000 -4.920) 5.799 7.468 ( 1.457 0.000 -0.166) 1.467 7.492 ( 2.528 0.000 -8.141) 8.525 7.616 ( -4.263 0.000 4.547) 6.233 7.741 ( -1.580 0.000 2.915) 3.315 7.767 ( 3.752 0.000 0.650) 3.807 7.810 ( 7.505 0.000 2.448) 7.894 7.968 ( 0.405 0.000 0.906) 0.992 8.010 ( -0.032 0.000 -3.387) 3.387 8.202 ( 1.300 0.000 0.810) 1.532 8.212 ( -5.264 0.000 -4.636) 7.015 8.326 ( -2.418 0.000 9.341) 9.649 8.360 ( -2.806 0.000 -0.509) 2.851 8.412 ( -0.943 0.000 -2.761) 2.918 8.641 ( -3.056 0.000 1.318) 3.328 8.811 ( 2.192 0.000 -4.788) 5.266 8.938 ( -2.583 0.000 -0.230) 2.593 9.728 ( 6.770 0.000 12.170) 13.926 10.290 ( -13.525 0.000 -5.800) 14.716 18.840 ( 1.092 0.000 1.643) 1.973 18.963 ( -1.080 0.000 -1.896) 2.182 19.244 ( -1.154 0.000 2.686) 2.923 19.480 ( 2.913 0.000 -4.024) 4.968 20.289 ( 6.769 0.000 0.126) 6.770 20.327 ( -4.127 0.000 -0.672) 4.181 20.530 ( 14.264 0.000 4.637) 14.999 20.855 ( -3.879 0.000 -4.807) 6.177 ======================= Grid point 127 (58/128) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 12.353 0.000 13.270) 18.130 1.376 ( 8.763 0.000 21.753) 23.452 1.928 ( 2.147 0.000 -12.349) 12.535 2.213 ( 8.430 0.000 1.145) 8.508 2.384 ( -1.804 0.000 21.846) 21.920 2.545 ( 0.439 0.000 2.650) 2.686 2.707 ( 7.276 0.000 -4.100) 8.352 2.959 ( -0.052 0.000 8.456) 8.456 3.048 ( -0.909 0.000 0.028) 0.910 3.072 ( -2.762 0.000 8.997) 9.411 3.319 ( -7.833 0.000 3.015) 8.393 3.351 ( -1.327 0.000 2.356) 2.704 3.385 ( 4.742 0.000 -1.852) 5.091 3.700 ( 2.761 0.000 -1.750) 3.269 3.718 ( -3.470 0.000 3.970) 5.273 3.837 ( -3.447 0.000 -1.639) 3.817 3.926 ( -1.304 0.000 -9.448) 9.538 4.005 ( 3.012 0.000 -10.027) 10.469 4.063 ( 1.396 0.000 -3.478) 3.748 4.247 ( 5.428 0.000 -4.739) 7.206 4.273 ( -1.899 0.000 -5.988) 6.282 4.367 ( -5.683 0.000 3.959) 6.926 4.418 ( -1.990 0.000 0.291) 2.011 4.809 ( -1.478 0.000 1.356) 2.006 4.876 ( 1.782 0.000 0.186) 1.791 4.998 ( 4.790 0.000 6.003) 7.680 5.076 ( 1.359 0.000 5.061) 5.240 5.159 ( -4.363 0.000 -4.133) 6.010 5.337 ( -1.978 0.000 4.300) 4.733 5.396 ( -5.038 0.000 -1.084) 5.154 5.501 ( -6.042 0.000 -1.510) 6.227 5.534 ( 6.889 0.000 1.644) 7.082 5.546 ( -1.230 0.000 -0.128) 1.236 5.579 ( -5.931 0.000 -9.971) 11.601 5.971 ( 4.097 0.000 -0.070) 4.098 6.030 ( -2.626 0.000 -10.288) 10.618 6.196 ( 2.439 0.000 6.862) 7.283 6.275 ( 1.164 0.000 5.718) 5.835 6.455 ( 4.348 0.000 2.472) 5.001 6.567 ( 9.986 0.000 3.026) 10.434 6.603 ( 0.229 0.000 2.085) 2.097 6.695 ( -3.913 0.000 -11.718) 12.354 6.851 ( 7.339 0.000 4.588) 8.655 6.924 ( -2.890 0.000 -3.127) 4.258 7.186 ( -1.459 0.000 -5.688) 5.872 7.235 ( 1.928 0.000 -2.304) 3.004 7.425 ( -2.841 0.000 -1.837) 3.383 7.503 ( 2.735 0.000 -3.582) 4.507 7.593 ( -1.657 0.000 5.440) 5.687 7.678 ( -6.429 0.000 1.930) 6.712 7.821 ( -0.251 0.000 -2.881) 2.892 7.908 ( -1.366 0.000 1.349) 1.919 7.968 ( -1.741 0.000 -0.489) 1.809 8.014 ( 5.249 0.000 -6.277) 8.183 8.047 ( -4.981 0.000 0.213) 4.985 8.201 ( -2.382 0.000 3.045) 3.866 8.295 ( -0.716 0.000 -2.620) 2.716 8.383 ( 0.343 0.000 7.487) 7.494 8.447 ( 5.259 0.000 -1.078) 5.368 8.645 ( -1.154 0.000 8.378) 8.458 8.817 ( 0.951 0.000 -5.096) 5.184 8.864 ( -2.880 0.000 -1.825) 3.410 9.882 ( -22.239 0.000 -0.191) 22.240 9.888 ( -0.268 0.000 11.796) 11.799 18.896 ( 3.011 0.000 1.898) 3.560 18.940 ( 0.414 0.000 -2.217) 2.255 19.245 ( -0.756 0.000 2.523) 2.633 19.507 ( 3.010 0.000 -4.483) 5.399 20.241 ( -3.324 0.000 -1.744) 3.753 20.411 ( 5.799 0.000 1.175) 5.917 20.718 ( -5.445 0.000 -6.078) 8.160 20.871 ( 16.122 0.000 -4.935) 16.861 ======================= Grid point 128 (59/128) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 9.561 0.000 -4.692) 10.650 1.678 ( 6.703 0.000 16.660) 17.958 1.939 ( 8.105 0.000 -11.454) 14.031 2.171 ( -1.016 0.000 6.826) 6.901 2.549 ( -2.071 0.000 1.374) 2.485 2.688 ( 4.119 0.000 10.555) 11.330 2.847 ( 10.031 0.000 -2.473) 10.332 3.022 ( -7.631 0.000 12.691) 14.808 3.092 ( 3.575 0.000 12.956) 13.440 3.209 ( 2.659 0.000 6.470) 6.995 3.232 ( -2.429 0.000 1.079) 2.657 3.337 ( 7.830 0.000 10.017) 12.714 3.481 ( 6.485 0.000 -2.283) 6.875 3.565 ( -15.222 0.000 5.945) 16.342 3.728 ( -4.593 0.000 -4.177) 6.208 3.756 ( 6.298 0.000 -11.709) 13.295 3.905 ( 7.153 0.000 -11.666) 13.684 4.015 ( 4.227 0.000 -3.612) 5.560 4.055 ( 0.335 0.000 -1.084) 1.135 4.254 ( 5.324 0.000 -4.934) 7.258 4.338 ( 0.417 0.000 -2.013) 2.055 4.348 ( -0.481 0.000 1.394) 1.475 4.446 ( 9.486 0.000 2.851) 9.905 4.780 ( -3.564 0.000 2.730) 4.489 4.832 ( -5.038 0.000 -0.604) 5.074 4.964 ( -9.269 0.000 -6.011) 11.047 5.136 ( -1.683 0.000 9.144) 9.298 5.162 ( -3.701 0.000 5.188) 6.373 5.186 ( -7.037 0.000 0.669) 7.068 5.301 ( -1.880 0.000 -3.622) 4.081 5.323 ( -7.507 0.000 0.272) 7.512 5.391 ( -3.354 0.000 -5.409) 6.364 5.513 ( -2.703 0.000 -1.179) 2.949 5.632 ( 0.825 0.000 -7.240) 7.287 6.011 ( 7.427 0.000 -7.521) 10.570 6.075 ( 5.629 0.000 -0.785) 5.683 6.241 ( -1.539 0.000 -0.222) 1.555 6.350 ( 1.582 0.000 3.582) 3.916 6.399 ( -8.366 0.000 5.292) 9.899 6.515 ( -2.748 0.000 -9.304) 9.701 6.751 ( 8.361 0.000 6.436) 10.551 6.787 ( 7.705 0.000 1.587) 7.867 6.891 ( 1.115 0.000 -1.902) 2.205 7.010 ( 2.260 0.000 -4.858) 5.358 7.123 ( 1.380 0.000 1.438) 1.993 7.163 ( -4.946 0.000 -3.654) 6.149 7.389 ( -1.674 0.000 -0.265) 1.694 7.462 ( -4.975 0.000 -4.163) 6.488 7.543 ( -8.965 0.000 -1.401) 9.074 7.656 ( 3.556 0.000 5.981) 6.958 7.762 ( 1.784 0.000 3.042) 3.526 7.833 ( -3.652 0.000 -3.524) 5.075 7.924 ( -1.305 0.000 -0.968) 1.625 8.044 ( 1.380 0.000 -3.973) 4.206 8.078 ( 2.561 0.000 4.040) 4.783 8.155 ( -3.448 0.000 3.582) 4.972 8.349 ( 5.321 0.000 0.490) 5.344 8.436 ( -0.085 0.000 5.554) 5.555 8.546 ( 4.513 0.000 -2.276) 5.054 8.687 ( -1.456 0.000 8.218) 8.346 8.733 ( -3.342 0.000 -2.390) 4.109 8.854 ( 2.204 0.000 -4.378) 4.902 9.488 ( -18.339 0.000 0.490) 18.345 9.885 ( -8.033 0.000 8.516) 11.707 18.944 ( 1.580 0.000 -1.921) 2.487 18.970 ( 3.029 0.000 1.269) 3.284 19.251 ( -0.575 0.000 2.222) 2.295 19.523 ( 2.219 0.000 -4.583) 5.092 20.191 ( -0.562 0.000 -0.657) 0.865 20.536 ( 6.303 0.000 0.662) 6.337 20.578 ( -4.348 0.000 -4.297) 6.113 21.030 ( 5.491 0.000 -6.755) 8.706 ======================= Grid point 129 (60/128) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 8.569 0.000 -14.390) 16.748 1.884 ( 3.790 0.000 11.677) 12.277 2.065 ( 11.779 0.000 -5.707) 13.089 2.337 ( 5.532 0.000 19.074) 19.860 2.457 ( -9.941 0.000 2.519) 10.255 2.730 ( -4.944 0.000 6.233) 7.956 2.964 ( -6.888 0.000 10.468) 12.530 3.040 ( -2.404 0.000 4.906) 5.464 3.082 ( 5.369 0.000 -8.034) 9.662 3.169 ( -2.896 0.000 2.747) 3.992 3.316 ( -10.758 0.000 3.855) 11.428 3.367 ( 9.116 0.000 13.283) 16.111 3.600 ( 7.174 0.000 -1.086) 7.256 3.633 ( -2.158 0.000 -0.761) 2.288 3.754 ( 11.477 0.000 6.391) 13.136 3.776 ( 8.628 0.000 -16.524) 18.641 4.001 ( 5.564 0.000 -6.924) 8.882 4.090 ( 7.338 0.000 0.474) 7.353 4.096 ( 3.113 0.000 2.862) 4.229 4.312 ( 0.308 0.000 -1.033) 1.078 4.316 ( -0.147 0.000 -0.024) 0.149 4.403 ( 10.089 0.000 -1.377) 10.183 4.647 ( 0.118 0.000 -7.983) 7.984 4.705 ( -6.439 0.000 5.317) 8.351 4.711 ( -9.893 0.000 -0.458) 9.903 4.757 ( 2.581 0.000 0.486) 2.626 4.901 ( -9.876 0.000 2.412) 10.166 5.109 ( -6.211 0.000 2.421) 6.666 5.215 ( -2.698 0.000 3.153) 4.150 5.253 ( -1.958 0.000 -4.717) 5.108 5.296 ( 0.610 0.000 -1.055) 1.219 5.315 ( -0.308 0.000 1.401) 1.435 5.435 ( -3.564 0.000 -0.999) 3.702 5.567 ( 0.421 0.000 -5.573) 5.589 6.038 ( -10.304 0.000 -3.776) 10.974 6.098 ( 4.751 0.000 -5.260) 7.088 6.168 ( 0.789 0.000 -4.686) 4.752 6.285 ( -3.478 0.000 -6.901) 7.728 6.389 ( 0.342 0.000 9.016) 9.023 6.554 ( 6.277 0.000 1.515) 6.457 6.844 ( 0.134 0.000 -4.823) 4.825 6.854 ( -6.591 0.000 -9.387) 11.470 6.928 ( 2.525 0.000 -2.657) 3.665 6.937 ( 3.431 0.000 7.981) 8.687 7.073 ( -1.193 0.000 0.394) 1.256 7.207 ( -0.296 0.000 -0.685) 0.746 7.328 ( -4.187 0.000 -0.354) 4.202 7.335 ( -2.491 0.000 -0.227) 2.502 7.416 ( -2.076 0.000 1.968) 2.860 7.716 ( -2.171 0.000 2.010) 2.959 7.807 ( 2.196 0.000 1.161) 2.484 7.879 ( -1.852 0.000 -1.325) 2.277 7.903 ( 5.970 0.000 5.487) 8.109 8.036 ( 0.843 0.000 -2.665) 2.795 8.150 ( -0.051 0.000 5.781) 5.781 8.177 ( 4.501 0.000 4.501) 6.366 8.441 ( 2.206 0.000 -1.227) 2.525 8.472 ( 0.427 0.000 7.178) 7.191 8.518 ( -2.978 0.000 -5.254) 6.039 8.714 ( -0.008 0.000 3.541) 3.541 8.726 ( 1.201 0.000 1.252) 1.735 8.860 ( 2.035 0.000 -4.888) 5.295 9.191 ( -11.809 0.000 -0.573) 11.823 9.719 ( -13.278 0.000 3.509) 13.734 18.968 ( 2.021 0.000 -1.204) 2.352 19.020 ( 1.502 0.000 0.097) 1.505 19.256 ( -0.533 0.000 1.679) 1.761 19.521 ( 1.266 0.000 -4.832) 4.995 20.214 ( 2.219 0.000 2.140) 3.083 20.501 ( -1.654 0.000 -0.190) 1.665 20.658 ( 6.248 0.000 -1.231) 6.368 21.015 ( -1.159 0.000 -5.897) 6.010 ======================= Grid point 130 (61/128) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 8.169 0.000 -6.559) 10.477 1.992 ( -1.597 0.000 4.682) 4.947 2.201 ( -14.171 0.000 8.137) 16.341 2.321 ( 13.633 0.000 -1.201) 13.685 2.550 ( -6.866 0.000 4.420) 8.166 2.632 ( 0.165 0.000 16.765) 16.766 2.878 ( -3.817 0.000 -4.849) 6.171 2.904 ( -4.595 0.000 4.619) 6.515 3.098 ( -7.596 0.000 3.786) 8.487 3.247 ( -2.400 0.000 9.504) 9.803 3.330 ( 13.250 0.000 -1.939) 13.392 3.587 ( 3.468 0.000 6.646) 7.497 3.637 ( 1.803 0.000 -1.331) 2.241 3.727 ( 6.422 0.000 -0.133) 6.423 3.870 ( 0.705 0.000 2.139) 2.252 3.895 ( -8.856 0.000 -4.286) 9.839 3.898 ( 10.912 0.000 -3.740) 11.535 4.147 ( 2.309 0.000 -1.798) 2.926 4.172 ( 3.322 0.000 -4.221) 5.372 4.339 ( -0.268 0.000 -0.156) 0.310 4.401 ( 3.668 0.000 2.549) 4.467 4.490 ( -0.195 0.000 -5.275) 5.279 4.564 ( -9.011 0.000 -1.174) 9.087 4.567 ( 3.495 0.000 -3.751) 5.127 4.670 ( -4.496 0.000 -0.350) 4.509 4.733 ( 4.524 0.000 10.313) 11.261 4.922 ( -1.103 0.000 -1.442) 1.816 4.942 ( -8.788 0.000 -5.223) 10.223 5.195 ( 3.786 0.000 -4.352) 5.768 5.207 ( -3.391 0.000 5.170) 6.183 5.302 ( 0.370 0.000 1.605) 1.647 5.330 ( 2.207 0.000 -0.261) 2.222 5.419 ( 2.020 0.000 2.880) 3.518 5.576 ( 1.311 0.000 -0.653) 1.465 5.829 ( -5.654 0.000 -4.283) 7.093 6.081 ( -0.861 0.000 -7.815) 7.862 6.105 ( -2.886 0.000 -4.354) 5.224 6.224 ( 1.085 0.000 -3.371) 3.542 6.484 ( 2.920 0.000 4.266) 5.170 6.666 ( 4.328 0.000 -1.492) 4.578 6.692 ( -3.856 0.000 -3.521) 5.222 6.764 ( -4.100 0.000 -3.711) 5.530 6.910 ( 0.391 0.000 -5.256) 5.271 6.990 ( -3.199 0.000 1.931) 3.736 7.114 ( -1.612 0.000 -3.250) 3.628 7.144 ( 4.985 0.000 4.180) 6.506 7.254 ( -1.307 0.000 -2.212) 2.570 7.383 ( 2.566 0.000 3.065) 3.997 7.454 ( 1.817 0.000 3.853) 4.260 7.700 ( -1.318 0.000 2.074) 2.457 7.808 ( -2.504 0.000 1.138) 2.751 7.846 ( -0.706 0.000 1.582) 1.733 8.016 ( -1.834 0.000 -0.199) 1.844 8.028 ( 3.151 0.000 3.444) 4.668 8.255 ( 4.713 0.000 6.399) 7.947 8.296 ( 0.779 0.000 3.245) 3.338 8.422 ( -2.752 0.000 1.092) 2.961 8.445 ( 2.047 0.000 -2.012) 2.870 8.540 ( -0.373 0.000 7.225) 7.235 8.720 ( -3.162 0.000 1.364) 3.444 8.755 ( 4.461 0.000 -3.511) 5.677 8.844 ( 0.219 0.000 -5.602) 5.607 9.069 ( -0.074 0.000 0.278) 0.288 9.453 ( -14.534 0.000 -0.919) 14.563 18.999 ( 1.666 0.000 -0.489) 1.737 19.032 ( -0.025 0.000 -0.553) 0.553 19.253 ( -0.877 0.000 1.255) 1.531 19.501 ( 0.635 0.000 -5.192) 5.231 20.296 ( 3.084 0.000 4.697) 5.619 20.512 ( 1.505 0.000 3.452) 3.766 20.728 ( 1.525 0.000 -4.063) 4.340 20.944 ( 0.171 0.000 -5.370) 5.373 ======================= Grid point 131 (62/128) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( -21.044 0.000 -3.282) 21.299 1.719 ( -5.939 0.000 7.106) 9.261 2.181 ( 0.086 0.000 10.032) 10.033 2.351 ( -7.405 0.000 -0.496) 7.421 2.552 ( 4.404 0.000 6.044) 7.479 2.812 ( -2.900 0.000 -2.215) 3.649 2.881 ( 12.146 0.000 -0.574) 12.160 2.935 ( -12.660 0.000 6.839) 14.389 2.963 ( 11.990 0.000 0.601) 12.005 3.268 ( -4.676 0.000 9.932) 10.977 3.444 ( -9.316 0.000 -1.070) 9.377 3.503 ( -3.804 0.000 6.769) 7.765 3.590 ( -5.287 0.000 -0.123) 5.289 3.832 ( 1.979 0.000 0.077) 1.981 3.853 ( 6.141 0.000 -1.651) 6.359 3.956 ( 7.930 0.000 1.741) 8.119 3.997 ( -1.789 0.000 9.360) 9.530 4.147 ( -0.391 0.000 -9.722) 9.730 4.248 ( 5.150 0.000 0.022) 5.150 4.283 ( -6.991 0.000 -4.892) 8.533 4.378 ( 2.739 0.000 -1.512) 3.129 4.463 ( -6.903 0.000 1.718) 7.114 4.485 ( -0.691 0.000 0.269) 0.741 4.542 ( -4.088 0.000 -5.255) 6.658 4.691 ( 11.943 0.000 -2.250) 12.154 4.787 ( 3.248 0.000 -8.405) 9.011 4.836 ( -4.209 0.000 5.949) 7.287 4.884 ( 0.258 0.000 4.927) 4.933 5.152 ( -5.591 0.000 3.462) 6.577 5.229 ( 1.598 0.000 -3.068) 3.459 5.309 ( -1.091 0.000 3.199) 3.380 5.453 ( -2.846 0.000 -1.622) 3.276 5.460 ( 8.023 0.000 4.642) 9.269 5.582 ( 1.989 0.000 -4.288) 4.726 5.832 ( 8.922 0.000 -4.246) 9.881 5.989 ( -1.512 0.000 -9.391) 9.512 6.054 ( 0.623 0.000 -1.324) 1.463 6.200 ( -1.447 0.000 -5.683) 5.864 6.524 ( -1.298 0.000 1.239) 1.794 6.633 ( -2.848 0.000 2.027) 3.496 6.681 ( 0.194 0.000 -2.344) 2.352 6.697 ( -0.124 0.000 -2.594) 2.597 6.906 ( -2.002 0.000 -5.553) 5.903 6.919 ( 4.121 0.000 -1.927) 4.550 7.131 ( 2.712 0.000 3.199) 4.194 7.242 ( 2.069 0.000 0.075) 2.070 7.296 ( 6.042 0.000 2.044) 6.378 7.435 ( 2.279 0.000 -1.975) 3.016 7.514 ( 1.726 0.000 3.598) 3.991 7.651 ( -4.556 0.000 -0.783) 4.623 7.772 ( -3.045 0.000 3.354) 4.530 7.885 ( 2.629 0.000 2.667) 3.745 7.981 ( -2.001 0.000 2.183) 2.961 8.090 ( -0.177 0.000 4.380) 4.383 8.214 ( -5.684 0.000 -1.428) 5.861 8.340 ( -1.204 0.000 -0.443) 1.282 8.413 ( 1.089 0.000 6.917) 7.002 8.556 ( -2.159 0.000 3.456) 4.075 8.568 ( 3.656 0.000 3.633) 5.154 8.676 ( 0.906 0.000 1.201) 1.505 8.813 ( 1.535 0.000 -5.903) 6.100 8.826 ( 4.696 0.000 -2.255) 5.209 9.147 ( 5.550 0.000 4.050) 6.871 9.179 ( -10.607 0.000 -4.398) 11.483 19.009 ( -1.854 0.000 -0.840) 2.035 19.021 ( 0.753 0.000 -0.148) 0.768 19.247 ( -0.814 0.000 1.719) 1.902 19.473 ( 0.784 0.000 -5.312) 5.369 20.381 ( 1.065 0.000 5.966) 6.061 20.610 ( 5.188 0.000 4.583) 6.922 20.637 ( -5.728 0.000 -4.948) 7.569 20.962 ( 5.328 0.000 -8.575) 10.095 ======================= Grid point 132 (63/128) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( -20.687 0.000 -2.053) 20.789 1.541 ( -19.764 0.000 15.975) 25.413 2.241 ( -0.546 0.000 6.748) 6.770 2.243 ( -7.746 0.000 -6.647) 10.207 2.559 ( -16.453 0.000 1.781) 16.549 2.652 ( 2.977 0.000 5.559) 6.306 2.749 ( -11.815 0.000 10.090) 15.537 3.005 ( 6.716 0.000 -9.115) 11.322 3.236 ( -7.044 0.000 0.799) 7.089 3.301 ( 12.480 0.000 7.456) 14.537 3.416 ( -5.335 0.000 -6.119) 8.118 3.440 ( 9.169 0.000 11.118) 14.411 3.555 ( -0.534 0.000 12.113) 12.125 3.719 ( -10.806 0.000 -2.439) 11.078 3.947 ( 4.261 0.000 -2.830) 5.115 3.992 ( -5.481 0.000 -8.328) 9.970 4.032 ( -3.962 0.000 4.388) 5.912 4.139 ( 9.100 0.000 -1.840) 9.284 4.203 ( -10.443 0.000 -3.202) 10.923 4.205 ( -0.382 0.000 1.496) 1.544 4.352 ( 3.779 0.000 1.735) 4.158 4.386 ( 2.238 0.000 -3.278) 3.969 4.456 ( 2.046 0.000 -6.127) 6.460 4.626 ( 5.372 0.000 8.829) 10.335 4.728 ( -9.299 0.000 1.860) 9.483 4.840 ( 5.469 0.000 -2.707) 6.102 4.887 ( 2.236 0.000 2.101) 3.068 4.987 ( 6.189 0.000 0.544) 6.213 5.077 ( -3.415 0.000 2.261) 4.096 5.219 ( 2.146 0.000 -4.583) 5.060 5.290 ( -3.761 0.000 -1.944) 4.233 5.365 ( -0.787 0.000 -1.522) 1.714 5.610 ( 5.103 0.000 -6.723) 8.440 5.667 ( 7.712 0.000 6.954) 10.384 5.907 ( 1.326 0.000 -7.896) 8.006 5.962 ( 6.974 0.000 -6.907) 9.815 6.089 ( 1.586 0.000 2.593) 3.039 6.107 ( -1.887 0.000 -5.625) 5.933 6.482 ( -3.022 0.000 1.876) 3.557 6.583 ( -4.555 0.000 2.768) 5.330 6.618 ( -3.887 0.000 -2.052) 4.395 6.758 ( 7.078 0.000 -3.417) 7.860 6.811 ( -3.731 0.000 -5.636) 6.759 7.026 ( 6.833 0.000 0.021) 6.833 7.266 ( 6.638 0.000 3.327) 7.425 7.299 ( 3.208 0.000 -0.151) 3.212 7.392 ( 1.481 0.000 0.304) 1.511 7.451 ( 4.148 0.000 -7.121) 8.241 7.566 ( -1.884 0.000 -0.209) 1.895 7.600 ( 3.757 0.000 5.823) 6.930 7.709 ( -6.203 0.000 4.610) 7.728 7.936 ( 0.078 0.000 -2.773) 2.775 7.982 ( -0.258 0.000 2.682) 2.694 8.037 ( -6.317 0.000 2.640) 6.847 8.162 ( 0.362 0.000 1.147) 1.203 8.280 ( -4.568 0.000 1.169) 4.715 8.445 ( -2.637 0.000 0.341) 2.659 8.535 ( -0.719 0.000 0.588) 0.929 8.577 ( -0.590 0.000 -0.732) 0.940 8.787 ( 4.667 0.000 0.331) 4.679 8.826 ( 3.740 0.000 -1.219) 3.934 8.872 ( -3.269 0.000 7.154) 7.865 9.047 ( 4.195 0.000 -7.774) 8.834 9.351 ( 10.202 0.000 11.983) 15.738 18.950 ( -3.372 0.000 -0.745) 3.454 19.024 ( -0.213 0.000 -0.274) 0.347 19.249 ( -0.727 0.000 2.486) 2.590 19.456 ( 1.631 0.000 -4.962) 5.223 20.425 ( -0.861 0.000 5.363) 5.432 20.481 ( -6.093 0.000 -4.279) 7.446 20.759 ( 6.248 0.000 3.795) 7.310 20.955 ( 1.978 0.000 -15.218) 15.346 ======================= Grid point 133 (64/128) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -15.008 0.000 6.245) 16.256 1.239 ( -23.032 0.000 12.227) 26.076 1.836 ( -28.536 0.000 18.127) 33.806 2.282 ( 1.388 0.000 1.340) 1.929 2.494 ( 4.916 0.000 -4.994) 7.007 2.568 ( -12.321 0.000 12.631) 17.645 2.813 ( 4.994 0.000 3.977) 6.383 2.978 ( -2.119 0.000 -12.672) 12.848 3.131 ( -12.096 0.000 0.452) 12.105 3.166 ( -0.835 0.000 5.413) 5.477 3.468 ( -9.474 0.000 -4.423) 10.455 3.596 ( 0.948 0.000 3.705) 3.824 3.664 ( -0.067 0.000 5.888) 5.889 3.698 ( 10.611 0.000 6.271) 12.325 3.788 ( -6.707 0.000 -5.921) 8.947 3.962 ( 1.077 0.000 -7.581) 7.658 3.978 ( -0.847 0.000 -0.976) 1.292 4.066 ( -2.122 0.000 2.075) 2.968 4.242 ( 2.228 0.000 -2.440) 3.304 4.270 ( 2.854 0.000 3.981) 4.899 4.415 ( 1.882 0.000 -7.660) 7.888 4.458 ( 5.373 0.000 2.180) 5.798 4.495 ( 5.732 0.000 -0.813) 5.789 4.558 ( -6.627 0.000 -1.067) 6.713 4.780 ( 1.354 0.000 13.613) 13.680 4.886 ( -2.029 0.000 1.977) 2.833 4.904 ( 0.527 0.000 1.701) 1.781 4.959 ( -3.492 0.000 -4.655) 5.819 5.045 ( -0.698 0.000 -2.081) 2.195 5.228 ( 1.834 0.000 -2.059) 2.757 5.292 ( 7.097 0.000 -7.999) 10.694 5.392 ( 3.270 0.000 1.792) 3.729 5.613 ( 0.869 0.000 -6.477) 6.535 5.839 ( 4.006 0.000 5.293) 6.638 5.958 ( 7.555 0.000 -5.613) 9.411 5.991 ( 2.512 0.000 -9.356) 9.687 6.094 ( 3.613 0.000 -1.311) 3.843 6.127 ( -0.584 0.000 3.287) 3.338 6.460 ( -1.670 0.000 2.139) 2.713 6.506 ( -5.089 0.000 5.847) 7.752 6.533 ( -3.782 0.000 1.102) 3.939 6.695 ( -3.980 0.000 -3.464) 5.277 6.858 ( 5.239 0.000 -4.744) 7.068 7.168 ( 7.515 0.000 0.316) 7.522 7.261 ( -4.196 0.000 -5.212) 6.691 7.352 ( 2.501 0.000 -1.740) 3.047 7.429 ( 0.928 0.000 1.308) 1.604 7.520 ( 5.714 0.000 -4.678) 7.385 7.555 ( 0.402 0.000 0.268) 0.483 7.666 ( -1.338 0.000 4.096) 4.309 7.737 ( 5.038 0.000 4.326) 6.641 7.838 ( -4.703 0.000 -4.818) 6.733 7.914 ( -7.006 0.000 -0.539) 7.027 7.996 ( -0.346 0.000 2.976) 2.997 8.193 ( -4.768 0.000 2.048) 5.189 8.225 ( 4.174 0.000 0.491) 4.203 8.372 ( -2.840 0.000 -1.810) 3.367 8.503 ( -4.691 0.000 4.007) 6.169 8.554 ( -0.145 0.000 -4.328) 4.330 8.820 ( -2.721 0.000 -3.219) 4.215 8.821 ( 1.611 0.000 -3.227) 3.607 8.914 ( 3.086 0.000 1.728) 3.537 9.200 ( 10.473 0.000 4.751) 11.501 9.756 ( 19.261 0.000 19.267) 27.244 18.880 ( -3.275 0.000 -0.088) 3.277 19.012 ( -0.635 0.000 -0.454) 0.781 19.252 ( -1.138 0.000 2.842) 3.061 19.460 ( 2.317 0.000 -4.519) 5.078 20.352 ( -4.162 0.000 -3.288) 5.304 20.431 ( -2.079 0.000 3.585) 4.144 20.759 ( -8.899 0.000 -19.833) 21.738 20.883 ( 3.963 0.000 1.521) 4.245 ======================= Grid point 134 (65/128) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( -3.647 0.000 19.121) 19.466 0.882 ( -19.192 0.000 14.732) 24.194 1.634 ( -14.258 0.000 37.972) 40.560 2.239 ( -6.895 0.000 -2.921) 7.488 2.485 ( -2.912 0.000 6.924) 7.511 2.558 ( 5.660 0.000 -6.491) 8.612 2.801 ( -5.612 0.000 -12.403) 13.613 2.866 ( -0.560 0.000 1.384) 1.493 3.011 ( -2.879 0.000 5.241) 5.980 3.214 ( 0.974 0.000 2.896) 3.055 3.325 ( -3.422 0.000 1.739) 3.838 3.517 ( -8.905 0.000 -6.821) 11.217 3.596 ( -7.588 0.000 -0.610) 7.613 3.674 ( 0.998 0.000 2.822) 2.993 3.829 ( -1.535 0.000 -1.262) 1.987 3.896 ( -0.037 0.000 -7.468) 7.469 4.014 ( 1.559 0.000 2.187) 2.686 4.042 ( -4.405 0.000 3.144) 5.411 4.200 ( -3.292 0.000 -2.702) 4.259 4.324 ( 1.585 0.000 -3.849) 4.162 4.409 ( 3.434 0.000 -6.572) 7.415 4.430 ( -4.506 0.000 -1.219) 4.668 4.578 ( -0.059 0.000 5.991) 5.991 4.583 ( 6.576 0.000 -4.169) 7.786 4.868 ( -2.892 0.000 3.068) 4.216 4.881 ( 0.760 0.000 0.818) 1.117 4.952 ( 5.257 0.000 3.267) 6.190 4.969 ( 4.253 0.000 11.399) 12.167 5.036 ( 4.189 0.000 0.080) 4.190 5.309 ( 5.199 0.000 2.249) 5.665 5.323 ( 3.024 0.000 -8.304) 8.838 5.533 ( 7.984 0.000 2.746) 8.443 5.575 ( -0.775 0.000 -3.183) 3.276 5.882 ( -2.320 0.000 0.642) 2.407 5.920 ( -1.777 0.000 -8.201) 8.391 6.063 ( 8.665 0.000 -6.820) 11.027 6.106 ( -2.406 0.000 0.368) 2.434 6.168 ( 3.387 0.000 -0.335) 3.404 6.409 ( -4.228 0.000 3.583) 5.542 6.488 ( -3.975 0.000 2.958) 4.955 6.559 ( 2.655 0.000 10.521) 10.851 6.620 ( -1.921 0.000 -1.550) 2.468 6.872 ( 0.009 0.000 -3.638) 3.638 7.144 ( -2.641 0.000 -5.074) 5.720 7.264 ( 0.739 0.000 -4.740) 4.798 7.359 ( -1.935 0.000 -1.722) 2.590 7.411 ( 0.693 0.000 0.360) 0.781 7.526 ( 1.227 0.000 -10.149) 10.223 7.630 ( 2.514 0.000 4.526) 5.177 7.673 ( 1.857 0.000 0.407) 1.901 7.729 ( -2.069 0.000 -0.733) 2.195 7.756 ( -2.311 0.000 1.837) 2.952 7.915 ( 3.675 0.000 2.265) 4.317 8.024 ( 0.635 0.000 0.862) 1.071 8.155 ( -0.755 0.000 3.848) 3.921 8.277 ( 1.411 0.000 -3.211) 3.508 8.328 ( -2.167 0.000 2.982) 3.686 8.428 ( -5.606 0.000 3.614) 6.670 8.493 ( -2.601 0.000 -4.970) 5.610 8.727 ( -3.299 0.000 -5.260) 6.209 8.815 ( 1.215 0.000 -4.506) 4.667 8.957 ( 0.136 0.000 1.320) 1.327 9.469 ( 10.567 0.000 10.109) 14.624 10.271 ( 17.503 0.000 5.114) 18.235 18.834 ( -1.496 0.000 0.846) 1.719 18.995 ( -0.742 0.000 -0.892) 1.160 19.248 ( -1.392 0.000 2.836) 3.160 19.468 ( 1.802 0.000 -4.236) 4.603 20.251 ( -3.843 0.000 -4.123) 5.636 20.398 ( -3.311 0.000 1.385) 3.589 20.441 ( -7.344 0.000 -1.660) 7.529 20.921 ( -0.106 0.000 -1.716) 1.719 ======================= Grid point 135 (66/128) ======================= q-point: ( 0.00 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( 8.221 3.495 21.106) 22.919 1.080 ( 4.022 6.775 21.629) 23.019 1.858 ( 0.986 -1.650 9.671) 9.860 2.076 ( -4.163 4.002 11.113) 12.523 2.454 ( -4.262 -1.912 0.551) 4.703 2.489 ( 4.731 -8.258 -1.918) 9.708 2.607 ( -0.340 0.532 -8.499) 8.522 2.830 ( -3.486 -8.571 -1.742) 9.415 3.062 ( -4.608 -8.178 -2.623) 9.746 3.116 ( -5.371 1.692 8.449) 10.154 3.215 ( 1.318 3.641 0.722) 3.939 3.394 ( -2.191 -3.852 -2.393) 5.036 3.467 ( -4.855 5.290 6.202) 9.488 3.735 ( 0.499 -3.234 0.067) 3.273 3.845 ( -3.502 5.040 8.045) 10.119 3.880 ( -3.916 0.202 -3.274) 5.109 4.007 ( 0.181 3.814 -4.665) 6.028 4.085 ( -0.899 1.596 -4.088) 4.480 4.154 ( 2.838 7.182 -6.106) 9.845 4.206 ( -0.757 -1.571 -1.931) 2.602 4.314 ( 0.408 1.633 -4.500) 4.805 4.498 ( -2.553 0.984 -0.376) 2.762 4.511 ( -2.541 -0.627 -1.425) 2.980 4.750 ( 4.968 2.318 2.904) 6.204 4.855 ( -2.735 2.387 4.577) 5.842 4.885 ( 0.776 -2.497 1.404) 2.968 5.044 ( 3.136 1.970 0.998) 3.835 5.134 ( 9.946 -3.371 5.136) 11.690 5.253 ( 7.701 -1.478 5.397) 9.519 5.283 ( 1.724 -1.071 -5.493) 5.856 5.440 ( 2.339 1.119 3.209) 4.125 5.547 ( -2.851 -2.823 -3.110) 5.077 5.583 ( -0.145 2.674 -2.366) 3.574 5.779 ( -2.053 -1.348 -5.814) 6.311 5.937 ( -0.468 -1.344 -2.097) 2.535 6.074 ( 0.963 0.176 4.179) 4.292 6.134 ( 5.145 -2.406 -8.815) 10.486 6.258 ( 1.935 2.921 3.642) 5.054 6.425 ( -1.178 4.837 4.955) 7.024 6.445 ( -1.303 -0.591 1.347) 1.964 6.596 ( -0.063 0.200 -2.455) 2.464 6.702 ( 1.464 5.144 5.448) 7.634 6.894 ( -1.159 3.998 -3.481) 5.426 6.991 ( -2.933 -5.199 -6.733) 8.998 7.121 ( -1.781 -4.238 -3.221) 5.613 7.299 ( -1.952 2.198 -3.655) 4.690 7.474 ( 0.818 0.279 -2.891) 3.017 7.544 ( 4.398 3.702 -3.641) 6.804 7.637 ( -0.344 0.900 3.492) 3.623 7.711 ( 1.667 -4.088 2.522) 5.084 7.795 ( -0.981 4.698 0.556) 4.831 7.849 ( 4.593 3.641 2.352) 6.315 7.963 ( -0.911 -0.233 0.544) 1.086 8.000 ( -0.251 -0.972 -3.037) 3.198 8.168 ( -0.272 -3.063 -0.775) 3.171 8.191 ( -3.883 -2.214 -0.306) 4.480 8.290 ( -2.054 -3.114 6.791) 7.748 8.361 ( -0.541 0.203 -1.822) 1.911 8.427 ( -2.047 1.177 -3.742) 4.424 8.575 ( -2.100 -4.626 -2.743) 5.773 8.902 ( 1.801 7.217 -0.446) 7.452 9.000 ( -2.767 5.717 1.007) 6.431 9.683 ( 6.394 -4.443 11.179) 13.623 10.067 ( -11.549 -19.026 2.644) 22.413 18.872 ( 1.260 2.996 1.315) 3.506 18.987 ( -0.882 2.631 -1.949) 3.391 19.222 ( 0.055 -2.294 2.604) 3.470 19.442 ( 2.214 -3.788 -3.664) 5.716 20.293 ( 4.687 1.438 1.160) 5.038 20.399 ( -2.995 2.325 0.918) 3.901 20.656 ( 10.298 12.653 -5.925) 17.357 20.883 ( -3.144 2.685 -5.690) 7.034 ======================= Grid point 136 (67/128) ======================= q-point: ( 0.11 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 10.620 4.121 13.811) 17.903 1.398 ( 9.841 2.900 20.339) 22.780 1.865 ( 3.462 -5.654 -8.603) 10.861 2.158 ( 2.607 -6.192 -6.166) 9.120 2.431 ( 0.971 4.276 11.209) 12.036 2.598 ( 5.468 0.443 1.318) 5.642 2.636 ( 3.618 -2.660 1.821) 4.846 2.776 ( 1.136 -12.858 8.334) 15.365 3.031 ( 0.608 -8.594 -1.534) 8.751 3.087 ( -3.858 1.532 10.128) 10.945 3.219 ( -1.175 3.356 0.599) 3.606 3.373 ( 0.872 -5.549 -0.312) 5.626 3.440 ( -3.763 7.329 5.501) 9.906 3.740 ( -2.204 -5.509 -2.567) 6.465 3.779 ( -6.867 4.194 7.108) 10.736 3.828 ( 0.580 5.862 4.573) 7.457 3.993 ( 2.682 6.316 -10.143) 12.246 4.012 ( -2.352 2.113 -10.545) 11.009 4.116 ( 5.165 -5.104 -7.956) 10.772 4.226 ( -0.062 10.284 -1.923) 10.462 4.338 ( 3.452 2.070 0.861) 4.116 4.361 ( -5.879 1.941 2.166) 6.559 4.496 ( -0.524 3.715 -4.143) 5.589 4.769 ( -4.661 -0.861 5.210) 7.044 4.868 ( 0.295 -2.391 -0.662) 2.498 4.980 ( 5.870 -0.097 5.966) 8.370 5.106 ( 1.376 1.305 1.220) 2.255 5.210 ( -4.040 4.717 -3.222) 6.997 5.234 ( -1.693 -6.348 -1.286) 6.695 5.370 ( -6.262 -5.715 0.068) 8.479 5.415 ( -0.311 -1.933 2.460) 3.144 5.550 ( 4.704 -0.018 -1.539) 4.949 5.563 ( -2.010 2.372 -4.374) 5.367 5.679 ( -1.013 4.409 -4.962) 6.714 5.895 ( -0.984 -2.599 -4.505) 5.293 6.142 ( 3.745 3.414 -3.318) 6.058 6.184 ( 3.481 -0.954 4.834) 6.033 6.307 ( -0.383 3.219 4.981) 5.943 6.469 ( 1.935 1.146 1.395) 2.646 6.523 ( 4.630 -2.260 4.950) 7.145 6.609 ( 2.114 -2.193 -2.133) 3.718 6.684 ( -1.526 0.242 -6.148) 6.339 6.786 ( -1.543 -3.509 -1.745) 4.212 6.938 ( -0.463 0.023 -1.105) 1.198 7.145 ( 2.321 -2.547 -0.697) 3.515 7.273 ( 2.475 3.552 -3.332) 5.463 7.415 ( -3.065 -0.430 -2.014) 3.693 7.565 ( -0.786 4.171 -0.655) 4.294 7.610 ( -3.529 1.109 0.290) 3.711 7.730 ( -4.890 4.908 0.265) 6.934 7.794 ( 1.844 -2.615 0.166) 3.204 7.899 ( -2.524 -2.149 1.144) 3.507 7.949 ( -1.623 -0.200 -0.171) 1.644 8.004 ( 4.241 -0.777 -5.318) 6.846 8.066 ( -2.941 1.720 0.906) 3.526 8.189 ( -1.404 -1.165 3.152) 3.641 8.306 ( -1.026 0.330 0.533) 1.202 8.352 ( 1.733 -1.905 1.470) 2.965 8.402 ( 2.261 -4.041 0.216) 4.636 8.565 ( 0.761 -4.796 0.405) 4.873 8.915 ( -3.820 4.808 -0.273) 6.147 8.951 ( 0.744 9.871 0.597) 9.917 9.761 ( -18.500 -10.646 2.794) 21.526 9.836 ( -0.393 -5.461 10.500) 11.842 18.924 ( 2.352 2.567 1.147) 3.665 18.971 ( 1.298 3.159 -1.671) 3.802 19.244 ( 0.136 -0.444 1.686) 1.748 19.472 ( 3.696 -3.561 -3.925) 6.461 20.287 ( -4.132 4.303 -1.948) 6.276 20.426 ( 4.962 1.315 1.823) 5.447 20.731 ( -4.647 1.546 -5.729) 7.537 20.884 ( 11.582 0.874 -6.579) 13.349 ======================= Grid point 137 (68/128) ======================= q-point: ( 0.22 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 9.009 1.828 -4.687) 10.319 1.712 ( 7.624 2.954 16.011) 17.978 1.937 ( 10.443 -0.003 -9.711) 14.260 2.172 ( 2.885 -1.306 6.226) 6.985 2.440 ( -2.419 -6.846 -0.559) 7.283 2.728 ( 9.687 -8.032 -4.943) 13.520 2.768 ( 2.573 2.275 10.907) 11.435 2.974 ( -2.015 -5.075 10.445) 11.786 3.012 ( 1.884 -7.497 6.500) 10.099 3.174 ( -4.021 -1.629 2.686) 5.102 3.200 ( 4.795 -1.134 9.144) 10.387 3.413 ( 3.950 -2.185 1.877) 4.889 3.459 ( 4.083 6.044 9.848) 12.255 3.617 ( -7.977 5.465 -2.704) 10.041 3.677 ( -6.798 -2.807 3.891) 8.320 3.815 ( -3.711 3.575 -7.474) 9.078 3.973 ( 5.790 3.334 -6.095) 9.044 4.033 ( 8.429 5.955 -4.891) 11.421 4.166 ( 1.524 2.509 -4.755) 5.589 4.215 ( 4.027 0.027 -2.191) 4.585 4.315 ( -0.833 1.395 1.256) 2.054 4.445 ( -0.629 5.858 -3.872) 7.050 4.455 ( 5.995 -0.349 2.607) 6.547 4.715 ( -4.312 -1.526 4.403) 6.349 4.842 ( -2.181 -1.692 -1.400) 3.095 5.006 ( -6.880 2.670 -6.473) 9.816 5.065 ( -9.583 -5.765 -4.148) 11.928 5.120 ( 1.556 -1.046 4.293) 4.685 5.190 ( -1.666 0.547 5.028) 5.325 5.278 ( -5.665 -3.222 4.011) 7.652 5.349 ( -2.699 -1.856 -6.464) 7.247 5.442 ( -2.583 8.766 -2.858) 9.575 5.531 ( -3.085 0.102 -2.688) 4.093 5.689 ( 0.273 5.215 -4.931) 7.182 5.941 ( 8.317 -1.094 -1.868) 8.594 6.201 ( 4.317 4.805 -4.928) 8.124 6.256 ( -0.116 2.680 0.987) 2.858 6.348 ( 0.777 -0.072 4.839) 4.902 6.385 ( -9.395 -0.652 3.940) 10.209 6.484 ( -3.012 -3.123 -9.360) 10.317 6.667 ( 3.387 -7.185 6.447) 10.231 6.736 ( 5.881 -6.363 -2.609) 9.049 6.868 ( 6.266 -1.975 -2.217) 6.934 7.000 ( 5.864 -0.228 3.914) 7.054 7.100 ( -2.860 0.246 -5.015) 5.779 7.227 ( -4.992 3.988 -1.572) 6.580 7.424 ( -2.631 1.750 -1.439) 3.472 7.474 ( -7.195 -0.152 -2.330) 7.564 7.574 ( 2.623 -3.772 3.004) 5.490 7.600 ( -4.969 5.578 0.387) 7.480 7.767 ( -4.572 0.377 0.529) 4.618 7.880 ( 1.067 1.696 2.686) 3.351 7.915 ( 0.960 -0.856 -1.605) 2.056 8.019 ( -0.502 -1.534 -2.619) 3.077 8.095 ( 1.879 2.144 1.082) 3.049 8.168 ( -2.189 0.379 4.497) 5.016 8.352 ( 5.475 0.675 -0.395) 5.531 8.398 ( 0.555 -3.169 2.526) 4.090 8.492 ( 4.125 -7.994 3.566) 9.676 8.565 ( -0.468 -3.267 -1.803) 3.761 8.828 ( -3.493 5.072 -0.521) 6.180 8.971 ( 0.043 8.825 0.199) 8.827 9.439 ( -15.563 -4.170 1.539) 16.186 9.834 ( -7.289 -5.155 7.641) 11.752 18.951 ( 1.253 1.457 -1.076) 2.202 19.029 ( 3.899 4.629 0.499) 6.073 19.250 ( -0.613 0.035 1.003) 1.176 19.516 ( 3.790 -1.041 -3.938) 5.564 20.213 ( -1.551 2.466 -1.206) 3.153 20.525 ( 2.419 -1.322 -0.354) 2.779 20.604 ( -2.024 2.799 -2.864) 4.487 20.997 ( 4.379 -3.372 -5.719) 7.953 ======================= Grid point 138 (69/128) ======================= q-point: ( 0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 9.317 3.108 -13.897) 17.018 1.927 ( 4.975 4.068 9.521) 11.487 2.082 ( 9.946 1.330 -3.417) 10.600 2.320 ( 0.900 -5.357 -1.428) 5.616 2.431 ( 1.451 4.265 17.559) 18.128 2.828 ( -0.094 3.714 1.647) 4.064 2.883 ( -9.597 -5.415 8.634) 13.999 2.938 ( 7.569 -6.991 4.743) 11.343 3.035 ( -3.173 -3.127 1.103) 4.589 3.147 ( -3.219 -5.375 5.850) 8.571 3.298 ( 0.636 -1.104 4.581) 4.755 3.398 ( -2.405 0.087 -0.476) 2.453 3.576 ( 1.500 2.244 7.629) 8.092 3.593 ( 0.163 -2.078 -1.653) 2.660 3.711 ( 0.485 -5.043 -8.573) 9.958 3.817 ( 14.120 1.098 10.995) 17.930 4.043 ( 7.871 4.106 -7.796) 11.815 4.103 ( 0.096 6.153 -3.898) 7.284 4.208 ( 5.176 5.850 0.248) 7.815 4.249 ( -2.841 -5.059 1.222) 5.929 4.353 ( 5.602 -1.235 -0.297) 5.744 4.451 ( 4.974 7.701 -1.436) 9.279 4.542 ( -0.712 -6.592 3.051) 7.299 4.666 ( -4.032 -0.354 -6.320) 7.505 4.751 ( -5.641 2.317 -0.902) 6.165 4.795 ( -6.506 -0.074 -3.605) 7.438 4.943 ( 0.530 1.109 3.360) 3.578 5.084 ( -10.395 -3.106 3.177) 11.305 5.175 ( 0.565 -2.424 1.126) 2.732 5.206 ( -2.541 -3.706 -9.529) 10.535 5.291 ( 1.076 3.541 3.661) 5.206 5.425 ( -0.593 9.072 0.372) 9.099 5.453 ( -2.210 0.686 -2.775) 3.614 5.663 ( 1.078 7.977 -3.169) 8.651 6.029 ( -4.721 1.087 -3.368) 5.900 6.105 ( -1.443 -0.683 -4.811) 5.069 6.196 ( -2.509 1.980 -3.453) 4.705 6.320 ( -2.026 3.105 -5.175) 6.366 6.395 ( 2.120 1.140 7.611) 7.983 6.482 ( 3.852 -6.270 0.062) 7.359 6.749 ( 1.058 -9.255 2.617) 9.676 6.801 ( 4.065 -6.506 -2.759) 8.152 6.895 ( -3.030 1.389 -7.055) 7.803 6.987 ( -1.164 0.333 -3.021) 3.254 7.119 ( -0.672 4.044 4.561) 6.133 7.165 ( -0.648 -2.620 -1.955) 3.332 7.271 ( -5.194 -2.818 -2.850) 6.560 7.377 ( -2.669 0.019 3.078) 4.074 7.476 ( -3.752 6.281 -0.294) 7.322 7.721 ( -0.414 0.468 2.741) 2.811 7.768 ( 6.028 -1.679 4.763) 7.864 7.864 ( -2.922 -0.573 -0.609) 3.039 7.952 ( 1.265 1.593 0.740) 2.164 8.029 ( 2.258 -0.005 -0.711) 2.368 8.092 ( 0.016 -3.537 2.675) 4.435 8.228 ( 2.961 2.662 6.340) 7.487 8.400 ( -1.160 -5.041 -2.071) 5.572 8.453 ( 2.282 -0.322 1.568) 2.788 8.501 ( -1.722 -3.814 2.830) 5.052 8.629 ( 5.903 -2.231 1.094) 6.405 8.778 ( -1.616 3.408 -1.025) 3.909 8.946 ( -1.872 5.027 -2.115) 5.766 9.204 ( -8.877 2.063 0.152) 9.115 9.680 ( -12.294 -3.952 2.997) 13.256 18.972 ( 1.532 1.276 -0.518) 2.060 19.100 ( 3.040 6.470 -0.410) 7.160 19.237 ( -1.225 -1.124 0.792) 1.842 19.549 ( 2.633 1.977 -4.492) 5.569 20.218 ( 1.798 0.635 1.682) 2.543 20.480 ( -1.992 -2.259 -0.544) 3.061 20.660 ( 4.671 0.541 -0.706) 4.755 20.980 ( -1.335 -3.512 -4.803) 6.098 ======================= Grid point 139 (70/128) ======================= q-point: (-0.56 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 4.897 0.790 -7.357) 8.873 1.996 ( -6.316 -2.506 -2.328) 7.183 2.168 ( -2.018 0.336 6.710) 7.015 2.368 ( 11.536 5.398 0.650) 12.753 2.619 ( -7.570 4.984 5.194) 10.446 2.685 ( -1.361 5.081 16.313) 17.140 2.865 ( 0.603 -1.101 -2.949) 3.205 2.924 ( -4.280 2.584 1.911) 5.352 3.107 ( -3.693 -1.974 5.011) 6.530 3.166 ( 0.221 -8.569 1.548) 8.711 3.233 ( 1.328 -4.458 7.120) 8.505 3.521 ( 6.978 -6.880 3.858) 10.531 3.607 ( 2.795 -5.278 -0.608) 6.003 3.644 ( -3.788 -5.486 0.261) 6.672 3.745 ( 5.347 -2.859 1.798) 6.325 3.986 ( -0.446 2.916 0.512) 2.994 4.070 ( -0.422 11.492 0.975) 11.541 4.142 ( 6.776 -0.531 -7.040) 9.786 4.176 ( -2.651 -4.000 0.354) 4.812 4.293 ( 3.251 2.968 -0.424) 4.422 4.441 ( 0.490 -2.629 3.183) 4.157 4.515 ( 0.044 6.624 -4.517) 8.017 4.546 ( -0.599 -1.040 -1.378) 1.828 4.604 ( -0.720 -3.196 5.882) 6.732 4.635 ( 0.210 3.872 -1.735) 4.248 4.734 ( 1.945 1.984 -2.247) 3.573 4.911 ( -6.735 -2.080 -0.585) 7.074 5.011 ( -3.735 2.455 -1.037) 4.589 5.073 ( 2.298 -3.948 -5.522) 7.167 5.224 ( 2.319 -4.289 1.193) 5.020 5.351 ( 0.445 3.472 0.070) 3.501 5.375 ( -0.452 0.548 -2.771) 2.861 5.469 ( 3.540 11.316 4.832) 12.804 5.663 ( -0.318 6.601 -1.523) 6.782 5.837 ( -6.200 1.066 -3.968) 7.437 6.077 ( -1.945 -0.769 -6.803) 7.117 6.117 ( -1.487 1.587 -3.369) 4.010 6.258 ( -0.515 2.748 -3.532) 4.504 6.492 ( 2.290 0.388 3.657) 4.333 6.546 ( 2.969 -6.689 0.369) 7.327 6.734 ( -4.368 -1.982 -4.013) 6.254 6.764 ( -0.819 1.622 -3.317) 3.782 6.852 ( 1.606 -5.477 -0.675) 5.748 6.940 ( -3.701 -7.061 -3.149) 8.572 7.087 ( 2.286 -0.963 -1.289) 2.796 7.159 ( -0.042 1.884 2.083) 2.808 7.227 ( -0.364 -1.722 -1.212) 2.137 7.396 ( 0.209 -1.103 3.035) 3.236 7.457 ( 0.881 2.870 1.773) 3.487 7.738 ( -1.232 1.380 1.613) 2.454 7.817 ( -1.788 0.703 1.294) 2.317 7.841 ( 1.169 1.067 2.954) 3.351 7.968 ( -4.499 -4.002 -0.730) 6.066 8.028 ( 3.581 -1.048 3.518) 5.128 8.197 ( 2.225 -4.663 1.779) 5.464 8.319 ( -0.667 -1.218 0.910) 1.660 8.353 ( 2.628 -1.861 3.861) 5.028 8.474 ( 1.316 1.567 3.803) 4.318 8.553 ( 0.553 0.501 5.606) 5.655 8.718 ( -3.176 -0.432 2.219) 3.898 8.756 ( 5.726 1.480 -4.552) 7.463 8.890 ( -0.014 2.913 -4.662) 5.497 9.104 ( -1.798 3.554 -0.263) 3.991 9.430 ( -13.638 -2.329 -1.147) 13.883 18.999 ( 1.306 1.376 0.333) 1.926 19.126 ( 0.160 7.955 -1.923) 8.186 19.230 ( -0.020 -1.943 1.755) 2.619 19.542 ( 0.635 3.301 -5.558) 6.496 20.295 ( 3.195 0.023 4.403) 5.440 20.485 ( 1.530 -2.719 3.109) 4.405 20.713 ( 1.096 -1.295 -3.297) 3.708 20.910 ( -0.536 -3.403 -4.763) 5.878 ======================= Grid point 140 (71/128) ======================= q-point: (-0.44 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.650 ( -10.360 -4.854 3.012) 11.831 1.682 ( -15.124 -3.644 -4.184) 16.109 2.251 ( -0.330 -3.002 0.096) 3.022 2.314 ( -10.221 8.629 8.686) 15.949 2.675 ( 6.028 8.501 4.869) 11.503 2.799 ( -6.720 -1.043 -0.240) 6.805 2.895 ( 10.801 1.256 -3.199) 11.335 2.973 ( 11.388 1.718 0.429) 11.525 2.998 ( -6.900 5.050 6.694) 10.859 3.207 ( -0.920 -10.303 7.938) 13.038 3.311 ( -6.948 -5.342 5.684) 10.447 3.463 ( -8.555 -3.057 7.396) 11.714 3.603 ( -4.302 -1.598 -0.687) 4.641 3.674 ( 6.596 -8.141 1.641) 10.605 3.826 ( 2.398 -7.060 -4.454) 8.685 3.939 ( -3.033 -1.751 3.849) 5.204 4.103 ( -3.448 -3.056 6.632) 8.076 4.119 ( 0.379 7.626 -0.109) 7.636 4.250 ( 7.459 4.779 -10.061) 13.405 4.366 ( -4.044 -4.604 1.904) 6.417 4.371 ( 0.039 5.413 -0.106) 5.414 4.440 ( -2.518 5.155 2.719) 6.349 4.584 ( 0.841 1.649 -1.985) 2.714 4.600 ( -3.096 6.651 -4.840) 8.789 4.699 ( 10.454 -0.265 -0.877) 10.494 4.773 ( 0.301 0.253 1.755) 1.798 4.818 ( 0.328 1.280 -3.686) 3.916 4.894 ( -2.900 -1.422 -0.747) 3.315 5.140 ( 3.601 -0.775 -0.230) 3.691 5.256 ( -4.125 0.173 -3.087) 5.156 5.289 ( 1.937 -0.898 2.897) 3.599 5.482 ( 4.408 3.384 1.361) 5.722 5.528 ( 0.490 6.954 1.450) 7.120 5.631 ( -1.026 4.418 -3.122) 5.506 5.799 ( 6.473 -3.068 -4.875) 8.665 5.982 ( -1.208 -0.765 -7.074) 7.217 6.094 ( 1.681 4.151 -1.530) 4.732 6.210 ( -2.512 0.751 -5.206) 5.829 6.493 ( -4.092 -3.515 1.858) 5.705 6.601 ( 1.462 -2.545 1.351) 3.231 6.678 ( 1.821 -1.332 -2.215) 3.162 6.709 ( -2.713 1.902 -1.651) 3.702 6.856 ( -1.162 -5.607 -5.523) 7.955 6.900 ( 4.687 -1.626 -0.770) 5.020 7.141 ( 2.832 0.487 1.209) 3.117 7.208 ( 2.171 -3.153 0.034) 3.828 7.255 ( 4.385 -2.871 1.869) 5.564 7.403 ( -0.046 -3.178 -0.081) 3.179 7.490 ( 0.817 -0.317 1.737) 1.945 7.683 ( -3.954 1.785 -1.591) 4.620 7.824 ( -0.550 3.805 4.270) 5.745 7.883 ( -3.014 -4.990 3.607) 6.855 7.908 ( 1.352 -0.302 2.279) 2.667 8.067 ( -2.237 -5.155 0.427) 5.636 8.171 ( -0.557 -0.346 0.925) 1.134 8.343 ( 1.444 -2.330 -2.404) 3.646 8.452 ( 1.860 4.110 6.671) 8.053 8.561 ( 0.213 1.639 5.585) 5.824 8.593 ( 1.019 1.500 2.901) 3.421 8.653 ( -1.658 -1.239 1.947) 2.841 8.814 ( 2.779 1.486 -3.103) 4.423 8.905 ( 4.217 5.041 -4.210) 7.805 9.117 ( 0.218 -2.518 2.455) 3.523 9.177 ( -7.213 -0.452 -3.402) 7.988 19.022 ( 0.313 2.127 0.857) 2.315 19.085 ( -2.100 5.176 -2.037) 5.945 19.257 ( 0.672 1.278 2.243) 2.667 19.498 ( -0.275 2.086 -6.013) 6.370 20.380 ( 1.006 -0.044 5.462) 5.554 20.579 ( 5.020 -2.299 2.527) 6.072 20.635 ( -4.817 -0.680 -2.687) 5.557 20.918 ( 5.048 -4.302 -7.497) 10.010 ======================= Grid point 141 (72/128) ======================= q-point: (-0.33 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -21.401 -3.576 -1.911) 21.782 1.535 ( -12.847 -1.484 12.284) 17.837 1.996 ( -13.215 -10.081 -3.132) 16.914 2.432 ( 5.810 3.173 0.956) 6.689 2.574 ( -16.523 5.342 6.381) 18.500 2.768 ( -8.943 5.899 1.958) 10.891 2.798 ( -5.966 8.908 8.679) 13.793 3.010 ( 5.008 -1.825 -9.219) 10.649 3.148 ( -6.010 -5.737 6.392) 10.483 3.290 ( 14.623 -2.083 3.842) 15.262 3.383 ( 4.728 -0.680 2.849) 5.562 3.438 ( -2.556 -1.525 5.361) 6.131 3.526 ( -0.988 -2.392 10.276) 10.596 3.740 ( -3.476 -1.211 -0.987) 3.810 3.821 ( 4.308 -7.814 -1.832) 9.109 3.915 ( -2.940 -5.239 -3.015) 6.721 4.007 ( -3.149 -2.075 -1.406) 4.025 4.133 ( -9.230 1.598 -2.791) 9.774 4.172 ( -3.830 -0.094 4.921) 6.236 4.276 ( 1.854 0.471 -4.408) 4.805 4.446 ( 1.318 2.635 4.333) 5.240 4.467 ( 2.700 9.536 1.195) 9.983 4.535 ( -0.090 4.410 -5.837) 7.316 4.567 ( -1.336 -3.044 -0.733) 3.404 4.706 ( -2.025 1.183 2.494) 3.423 4.819 ( 2.172 -2.412 -2.084) 3.857 4.917 ( 3.746 -1.746 1.966) 4.576 4.961 ( 8.249 1.221 -4.665) 9.555 5.141 ( -2.408 4.569 1.840) 5.483 5.223 ( 3.017 3.521 -3.509) 5.815 5.292 ( -2.605 -0.606 -3.759) 4.613 5.449 ( 0.476 6.788 0.177) 6.807 5.601 ( 2.095 -0.147 -4.734) 5.178 5.692 ( 7.140 1.214 5.344) 9.001 5.862 ( 3.983 -2.135 -7.192) 8.494 5.989 ( 5.353 1.812 -3.915) 6.875 6.113 ( -1.417 0.816 -4.618) 4.899 6.142 ( 2.580 4.672 1.054) 5.440 6.407 ( -5.384 -6.196 2.495) 8.579 6.612 ( -0.727 0.596 -0.165) 0.954 6.631 ( -4.966 1.996 1.242) 5.495 6.749 ( 6.316 -1.257 -4.065) 7.615 6.776 ( -3.157 -3.646 -4.978) 6.931 6.999 ( 6.030 -2.416 -0.916) 6.560 7.227 ( -0.021 -8.220 -4.232) 9.245 7.251 ( 5.506 -2.011 2.526) 6.383 7.354 ( 4.806 -0.317 4.826) 6.818 7.428 ( 3.923 -1.702 -4.609) 6.287 7.553 ( 2.980 -2.182 7.108) 8.011 7.607 ( -1.956 2.653 -0.650) 3.359 7.758 ( -6.822 -0.968 3.470) 7.715 7.896 ( -0.698 -1.072 2.251) 2.589 7.936 ( -0.488 -0.242 -2.681) 2.736 8.042 ( 0.648 -1.584 2.507) 3.036 8.167 ( -0.529 0.545 -0.758) 1.073 8.339 ( -1.818 3.102 0.690) 3.662 8.456 ( -3.645 1.287 -0.195) 3.870 8.556 ( -2.514 -0.139 -0.690) 2.611 8.574 ( -1.025 1.889 0.337) 2.175 8.754 ( 4.465 -1.593 5.732) 7.438 8.831 ( 1.416 1.899 -2.896) 3.742 8.933 ( -2.687 3.155 3.123) 5.189 9.050 ( 5.630 0.493 -5.926) 8.189 9.299 ( 8.445 -4.906 11.511) 15.096 18.991 ( -3.453 3.933 -0.806) 5.295 19.055 ( -0.223 3.066 0.119) 3.077 19.275 ( -0.627 2.273 2.027) 3.110 19.455 ( 0.574 -0.351 -5.257) 5.300 20.395 ( -2.842 -2.062 1.290) 3.741 20.510 ( -4.158 1.921 -0.472) 4.605 20.722 ( 5.967 -2.901 0.729) 6.675 20.948 ( 4.583 -1.171 -10.541) 11.553 ======================= Grid point 142 (73/128) ======================= q-point: (-0.22 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -17.368 -4.866 7.630) 19.584 1.321 ( -20.133 8.471 12.131) 24.985 1.773 ( -8.064 -10.587 3.004) 13.643 2.270 ( -14.065 3.516 9.133) 17.135 2.511 ( -7.064 0.401 5.872) 9.195 2.592 ( -2.338 2.842 3.209) 4.882 2.881 ( 2.050 5.786 -0.481) 6.157 2.947 ( -2.747 -2.855 -7.564) 8.538 3.119 ( -2.474 -1.454 1.794) 3.384 3.209 ( -8.183 5.080 4.910) 10.811 3.467 ( -5.961 -4.469 -0.617) 7.476 3.553 ( 1.293 -5.828 3.120) 6.736 3.652 ( 3.551 2.797 -0.891) 4.607 3.685 ( -0.377 1.379 -0.717) 1.600 3.812 ( -3.299 2.981 4.453) 6.292 3.858 ( 4.059 -2.007 -3.196) 5.542 3.965 ( -2.677 -6.950 2.077) 7.732 4.048 ( 5.742 -8.943 -0.108) 10.629 4.193 ( 0.767 5.416 0.849) 5.535 4.279 ( -0.966 -5.526 1.962) 5.943 4.419 ( -7.083 -7.318 3.038) 10.627 4.454 ( -1.127 -3.848 -6.252) 7.427 4.538 ( 4.404 7.218 -2.544) 8.830 4.577 ( 4.004 9.430 1.540) 10.360 4.764 ( 3.465 2.226 1.513) 4.388 4.853 ( 1.497 -3.815 1.876) 4.507 4.928 ( -2.712 -0.523 -6.312) 6.890 4.990 ( 0.565 1.377 2.480) 2.893 5.094 ( -3.995 5.375 -1.732) 6.918 5.213 ( 2.214 0.148 -3.684) 4.300 5.314 ( 6.593 1.925 -5.569) 8.843 5.491 ( 2.408 8.097 1.583) 8.594 5.612 ( 1.610 -0.759 -3.362) 3.804 5.825 ( 4.114 -3.782 -1.610) 5.815 5.920 ( 4.344 2.649 -0.257) 5.095 6.053 ( 4.101 3.313 -3.044) 6.088 6.089 ( 1.094 0.750 -4.577) 4.765 6.210 ( 3.118 5.890 1.291) 6.788 6.353 ( -2.273 -7.285 4.074) 8.651 6.536 ( -5.717 1.079 3.674) 6.881 6.587 ( -1.960 4.042 1.131) 4.632 6.674 ( -2.934 -2.134 -2.923) 4.659 6.845 ( 5.870 -1.106 -4.129) 7.262 7.121 ( 6.269 -4.895 -1.856) 8.167 7.174 ( 0.119 -7.173 -4.027) 8.227 7.331 ( 1.024 -2.364 0.396) 2.607 7.424 ( 1.341 -0.687 -1.037) 1.829 7.530 ( 5.224 0.854 -1.429) 5.482 7.583 ( -1.923 0.541 4.209) 4.659 7.642 ( 1.057 0.525 1.335) 1.782 7.734 ( 1.949 -2.345 5.303) 6.117 7.851 ( -3.089 1.239 -4.435) 5.545 7.879 ( -0.776 1.769 0.283) 1.952 8.069 ( -0.545 2.944 -0.283) 3.008 8.187 ( 2.779 -2.964 -0.611) 4.109 8.254 ( -6.212 5.142 1.739) 8.249 8.377 ( -2.743 0.063 -1.991) 3.390 8.478 ( -5.443 -2.383 1.013) 6.028 8.550 ( -0.157 0.089 -3.632) 3.636 8.782 ( -2.822 -2.129 -3.775) 5.171 8.873 ( 3.012 3.446 -0.989) 4.682 8.937 ( 2.789 1.814 1.858) 3.811 9.205 ( 9.028 0.671 4.735) 10.216 9.641 ( 14.322 -10.174 18.895) 25.800 18.915 ( -3.420 3.508 -0.431) 4.918 19.047 ( -0.829 3.517 -0.190) 3.619 19.263 ( -1.996 0.273 1.550) 2.542 19.441 ( 1.394 -2.012 -3.951) 4.648 20.309 ( -4.021 -2.239 -2.586) 5.279 20.454 ( -3.321 0.101 1.751) 3.756 20.766 ( 1.072 2.408 -10.601) 10.924 20.948 ( 2.542 4.428 -4.901) 7.077 ======================= Grid point 143 (74/128) ======================= q-point: (-0.11 0.17 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( -5.170 -3.321 20.842) 21.729 1.034 ( -14.447 12.048 13.390) 23.090 1.746 ( -4.800 4.281 20.884) 21.852 2.155 ( -6.642 -3.862 6.124) 9.825 2.420 ( -4.469 -7.323 7.530) 11.415 2.560 ( -1.202 3.228 -6.551) 7.402 2.763 ( -5.446 -2.380 -12.081) 13.464 2.874 ( -1.064 0.121 -1.999) 2.268 3.147 ( -1.007 8.548 7.814) 11.625 3.157 ( -1.288 -3.878 3.297) 5.250 3.256 ( -10.647 -4.825 -3.456) 12.189 3.489 ( -4.396 -5.606 -3.378) 7.885 3.572 ( -8.264 3.233 0.615) 8.895 3.718 ( 3.089 -1.383 -1.076) 3.551 3.813 ( 1.073 8.141 2.710) 8.647 3.933 ( -2.486 -8.422 2.088) 9.026 4.022 ( 6.740 3.420 0.879) 7.609 4.102 ( -3.453 -4.207 -0.925) 5.521 4.171 ( -0.806 8.780 -2.828) 9.260 4.265 ( -2.373 -11.389 0.902) 11.669 4.342 ( -1.513 -0.265 1.000) 1.833 4.448 ( 4.729 0.415 -6.052) 7.692 4.590 ( 1.293 2.268 -4.829) 5.489 4.653 ( 3.318 5.525 1.163) 6.549 4.828 ( 4.083 -0.029 -0.600) 4.127 4.886 ( -1.519 -2.839 5.540) 6.408 4.917 ( 3.164 -0.130 4.909) 5.842 5.003 ( 0.887 -0.123 0.577) 1.066 5.062 ( 4.159 2.539 2.904) 5.672 5.266 ( 3.556 -0.821 -2.173) 4.247 5.371 ( 4.023 2.278 -4.922) 6.753 5.566 ( 3.584 5.373 -0.147) 6.460 5.604 ( -0.814 -0.663 -0.595) 1.207 5.840 ( -0.362 -3.274 -3.747) 4.989 5.968 ( -0.249 2.772 -0.730) 2.877 6.060 ( -0.441 0.401 -0.975) 1.143 6.084 ( 4.244 -0.474 -6.199) 7.527 6.238 ( 0.035 2.738 -2.223) 3.527 6.390 ( 0.972 0.194 5.584) 5.671 6.499 ( -3.983 -4.105 5.113) 7.672 6.579 ( 1.939 6.586 2.412) 7.277 6.639 ( -0.292 3.042 0.565) 3.108 6.897 ( 2.263 1.410 -2.986) 4.003 7.095 ( -0.783 -5.982 -7.571) 9.681 7.206 ( -2.201 -1.966 -2.399) 3.803 7.380 ( 5.279 -2.797 1.181) 6.090 7.403 ( -3.177 1.509 -0.157) 3.520 7.507 ( 1.109 -1.996 -5.886) 6.313 7.615 ( 0.065 -0.987 1.848) 2.097 7.711 ( 4.237 4.355 -0.808) 6.130 7.724 ( -1.603 0.407 1.817) 2.456 7.830 ( -0.239 4.099 0.962) 4.217 7.929 ( 3.047 1.892 1.575) 3.917 8.035 ( -1.338 1.403 -1.019) 2.190 8.153 ( -1.634 -0.691 0.571) 1.864 8.255 ( 0.828 -1.345 0.041) 1.580 8.313 ( -4.266 -2.616 1.737) 5.297 8.392 ( -3.158 -2.031 0.987) 3.883 8.500 ( -1.855 0.563 -4.515) 4.913 8.675 ( -3.452 -3.481 -6.675) 8.282 8.887 ( 1.058 5.323 -2.370) 5.922 9.005 ( 0.762 4.314 3.023) 5.322 9.444 ( 9.548 -2.293 9.243) 13.485 10.037 ( 9.878 -19.608 11.687) 24.873 18.866 ( -1.412 3.077 0.464) 3.417 19.021 ( -1.224 2.972 -1.063) 3.386 19.228 ( -2.545 -2.481 2.030) 4.093 19.439 ( 1.188 -2.946 -3.488) 4.718 20.237 ( -0.534 0.462 -1.492) 1.651 20.411 ( -1.786 -1.043 2.525) 3.263 20.655 ( -1.310 17.386 -11.061) 20.648 20.951 ( -0.158 2.859 -3.085) 4.209 ======================= Grid point 144 (75/128) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.067 ( 9.132 9.605 16.136) 20.881 1.319 ( 2.725 15.855 12.932) 20.641 1.673 ( 2.582 -14.514 -0.402) 14.748 2.052 ( -1.906 -12.622 2.071) 12.932 2.355 ( -0.822 0.598 0.489) 1.128 2.563 ( -2.049 8.742 -2.907) 9.437 2.616 ( -4.184 -7.861 -6.560) 11.060 2.684 ( -5.460 4.799 3.916) 8.257 2.898 ( -1.384 -6.733 -6.028) 9.143 3.131 ( -1.742 1.726 2.655) 3.614 3.297 ( -3.548 -5.978 -0.042) 6.952 3.354 ( -4.242 2.504 11.192) 12.228 3.570 ( -3.262 5.266 5.599) 8.350 3.623 ( -2.046 -3.649 5.520) 6.926 3.818 ( -2.923 -5.483 5.284) 8.156 3.884 ( 2.292 0.570 -2.692) 3.581 4.001 ( -1.527 -4.373 -3.073) 5.558 4.169 ( 3.077 9.813 -5.612) 11.716 4.193 ( -0.692 -3.372 1.731) 3.853 4.356 ( 0.576 5.858 -2.504) 6.397 4.378 ( -1.791 5.645 1.527) 6.116 4.494 ( 3.502 -1.683 -6.527) 7.596 4.544 ( -2.048 8.144 1.473) 8.525 4.791 ( 0.731 -0.093 4.598) 4.657 4.847 ( 0.387 0.134 2.187) 2.225 4.897 ( -0.823 -0.922 3.112) 3.348 5.029 ( 5.553 -1.042 -0.221) 5.654 5.124 ( 8.504 -1.271 -0.734) 8.630 5.181 ( 6.612 -0.260 4.151) 7.811 5.306 ( 4.416 -0.505 -0.673) 4.496 5.465 ( -7.161 -1.315 -1.243) 7.387 5.513 ( 5.580 3.897 -1.073) 6.890 5.671 ( -1.577 4.493 -3.062) 5.661 5.723 ( -1.811 -4.400 -5.878) 7.563 5.883 ( -4.131 -1.278 -4.376) 6.152 6.037 ( 5.150 -6.551 -6.286) 10.438 6.112 ( 1.677 2.403 3.625) 4.661 6.286 ( 1.745 -2.989 2.144) 4.071 6.356 ( -0.615 -1.451 2.766) 3.184 6.481 ( -0.525 -1.165 1.619) 2.062 6.693 ( 0.926 6.843 -3.139) 7.585 6.825 ( -1.359 1.881 -0.914) 2.495 6.876 ( -6.353 -0.487 -7.360) 9.735 7.023 ( 5.696 9.211 3.141) 11.276 7.062 ( -5.914 -2.728 -4.637) 7.995 7.339 ( 0.631 1.651 -3.141) 3.605 7.449 ( -1.265 -3.598 -0.195) 3.819 7.537 ( 9.178 -5.181 2.659) 10.870 7.638 ( 1.202 1.290 -0.231) 1.779 7.669 ( -2.649 -0.590 1.943) 3.338 7.888 ( -1.251 2.513 -1.401) 3.138 7.930 ( 3.565 5.107 2.079) 6.566 7.969 ( -4.447 -0.155 -4.028) 6.002 7.997 ( -0.295 2.362 1.080) 2.614 8.106 ( 0.310 -2.950 1.529) 3.337 8.134 ( -3.099 -3.644 1.712) 5.081 8.243 ( -1.041 -0.551 2.381) 2.657 8.354 ( -0.343 -1.755 -2.804) 3.326 8.449 ( -1.831 1.090 -5.676) 6.063 8.499 ( -1.149 -2.819 -5.858) 6.602 9.050 ( 1.226 7.800 3.474) 8.626 9.121 ( -1.955 5.878 3.391) 7.062 9.578 ( 4.724 -5.763 8.897) 11.606 9.715 ( -7.918 -15.479 8.385) 19.303 18.943 ( 1.112 4.296 1.336) 4.634 19.054 ( -1.216 3.085 -1.877) 3.810 19.169 ( 1.916 -1.955 1.933) 3.351 19.344 ( 1.270 -6.121 -2.991) 6.931 20.334 ( 3.937 2.543 2.525) 5.324 20.408 ( 0.539 -0.744 3.483) 3.602 20.875 ( 1.096 8.123 -12.675) 15.094 20.940 ( -1.489 2.684 -8.275) 8.826 ======================= Grid point 145 (76/128) ======================= q-point: ( 0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 11.141 6.135 16.339) 20.705 1.521 ( 5.548 10.107 9.391) 14.870 1.727 ( 7.043 -8.665 -0.396) 11.174 1.998 ( 0.323 -10.538 -7.084) 12.702 2.443 ( -1.682 -5.504 -1.700) 6.001 2.450 ( 5.569 -7.894 -3.064) 10.135 2.574 ( 5.766 0.088 -3.260) 6.625 2.798 ( 4.976 0.771 5.403) 7.385 2.858 ( 0.537 0.264 1.348) 1.475 3.120 ( -1.804 0.792 4.415) 4.835 3.231 ( -4.352 -3.142 3.652) 6.492 3.370 ( -2.905 2.814 10.849) 11.579 3.581 ( -0.658 6.998 5.123) 8.698 3.637 ( -2.465 -1.598 6.289) 6.941 3.788 ( -3.895 -1.597 4.759) 6.354 3.906 ( 3.605 0.253 -3.043) 4.724 3.976 ( 2.548 -3.444 -4.164) 5.974 4.109 ( -6.946 3.478 -1.136) 7.851 4.173 ( 3.296 6.821 -8.864) 11.660 4.265 ( -6.581 -0.891 3.103) 7.330 4.381 ( 0.928 0.778 1.786) 2.158 4.444 ( -2.428 -0.456 -4.105) 4.791 4.594 ( 2.768 10.007 -2.779) 10.748 4.781 ( -4.464 0.339 6.439) 7.843 4.855 ( -1.861 3.451 1.414) 4.168 4.997 ( 7.031 -0.003 3.046) 7.662 5.085 ( 0.716 -2.904 -0.649) 3.061 5.162 ( -0.394 -1.349 -8.243) 8.362 5.260 ( -5.376 0.862 -3.749) 6.611 5.334 ( -0.127 -0.543 -0.660) 0.864 5.351 ( -3.400 -0.464 2.556) 4.279 5.555 ( -1.136 -0.516 -3.771) 3.972 5.623 ( 1.300 3.064 -4.533) 5.623 5.746 ( 5.888 -2.232 -1.162) 6.403 5.823 ( 3.842 1.570 -3.161) 5.217 6.116 ( 6.616 -5.651 -3.903) 9.537 6.205 ( 3.559 3.021 5.824) 7.463 6.361 ( -1.593 0.482 3.095) 3.514 6.378 ( 4.383 -5.390 1.285) 7.065 6.480 ( 0.458 -5.237 1.468) 5.458 6.644 ( -8.823 3.855 -3.649) 10.297 6.700 ( -5.150 1.190 -4.192) 6.746 6.754 ( 0.668 1.489 -2.499) 2.985 6.925 ( -1.331 -1.756 -1.294) 2.556 7.147 ( 1.835 3.754 1.767) 4.537 7.360 ( 1.911 2.512 -3.005) 4.358 7.409 ( 0.143 1.601 0.805) 1.798 7.579 ( -6.721 -2.113 1.153) 7.139 7.623 ( -3.264 -0.119 -1.501) 3.595 7.713 ( 4.848 -5.750 1.566) 7.682 7.826 ( -5.627 1.178 -2.378) 6.221 7.864 ( 0.043 1.583 -0.239) 1.601 7.973 ( -3.897 2.776 -0.915) 4.872 8.016 ( 3.396 2.624 0.316) 4.303 8.100 ( 0.109 1.211 2.949) 3.190 8.160 ( 0.223 -1.753 3.009) 3.489 8.264 ( 0.958 -3.057 3.673) 4.874 8.319 ( -0.310 -4.203 -1.333) 4.420 8.371 ( -0.142 2.495 -6.314) 6.791 8.486 ( 2.226 -3.606 -3.488) 5.488 9.027 ( -5.385 6.479 2.178) 8.702 9.124 ( -0.729 6.756 3.205) 7.513 9.561 ( -11.545 -7.814 5.247) 14.895 9.697 ( 0.180 -8.467 8.412) 11.937 18.984 ( 1.337 3.571 0.443) 3.839 19.042 ( 1.614 3.193 -0.582) 3.625 19.229 ( 2.748 -0.432 0.052) 2.782 19.379 ( 4.856 -5.739 -2.809) 8.025 20.377 ( -3.078 4.405 -0.520) 5.398 20.448 ( 2.925 0.613 2.591) 3.955 20.778 ( -4.008 3.247 -6.511) 8.307 20.886 ( 3.661 -1.031 -8.266) 9.099 ======================= Grid point 146 (77/128) ======================= q-point: ( 0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 7.856 5.789 -6.971) 11.993 1.784 ( 11.309 4.848 16.250) 20.383 1.915 ( 10.445 -4.309 -9.639) 14.852 2.057 ( 8.986 -8.708 6.296) 14.008 2.409 ( 1.015 3.487 2.058) 4.174 2.575 ( 7.504 -5.612 -2.858) 9.797 2.738 ( 5.866 -5.367 5.872) 9.884 2.822 ( 4.882 -9.476 -6.200) 12.332 2.931 ( -1.630 -0.533 7.593) 7.785 3.070 ( -5.001 -6.992 -0.536) 8.613 3.289 ( 0.494 7.634 13.071) 15.145 3.395 ( -1.678 1.372 8.480) 8.753 3.596 ( -3.262 3.005 10.075) 11.008 3.632 ( 0.592 4.582 2.479) 5.244 3.734 ( -4.744 1.784 4.022) 6.470 3.861 ( -9.335 0.896 -6.355) 11.328 4.043 ( 6.191 3.925 -1.496) 7.481 4.080 ( 6.711 -1.261 1.885) 7.083 4.187 ( 3.613 2.534 -3.910) 5.896 4.214 ( 0.432 -1.096 -0.574) 1.310 4.320 ( -5.830 -2.556 -3.209) 7.128 4.419 ( 1.752 -3.420 0.274) 3.853 4.610 ( 1.148 10.339 -1.903) 10.575 4.758 ( -2.569 3.730 3.831) 5.932 4.808 ( -2.603 1.379 -0.716) 3.031 4.991 ( -8.175 -1.561 -6.924) 10.826 5.034 ( -4.411 -2.298 -7.846) 9.289 5.080 ( -1.131 -3.420 -2.012) 4.126 5.187 ( 0.389 2.060 1.380) 2.510 5.271 ( -3.690 1.414 2.768) 4.824 5.293 ( -0.583 -3.494 -7.937) 8.692 5.470 ( -1.509 -4.342 -4.956) 6.759 5.658 ( 1.957 11.217 -0.090) 11.387 5.804 ( 1.118 5.331 0.054) 5.448 5.963 ( 8.408 2.934 0.509) 8.919 6.210 ( 3.457 -2.872 -2.222) 5.013 6.304 ( 2.063 0.214 1.877) 2.797 6.350 ( -0.652 0.440 6.008) 6.059 6.388 ( -7.724 -0.783 -2.136) 8.052 6.430 ( -5.086 -0.826 -3.616) 6.295 6.520 ( -0.484 -6.064 -0.991) 6.163 6.572 ( 3.089 -9.321 -2.744) 10.196 6.863 ( 5.700 1.693 0.173) 5.949 6.976 ( 4.190 -2.542 3.564) 6.059 7.143 ( 0.016 4.012 -4.448) 5.990 7.283 ( -4.622 1.067 -0.611) 4.783 7.407 ( -9.776 -2.932 -3.459) 10.777 7.447 ( -6.593 -1.597 1.730) 7.000 7.583 ( 5.207 4.308 2.839) 7.330 7.706 ( -2.752 3.004 -0.437) 4.097 7.790 ( -3.102 1.490 0.830) 3.540 7.861 ( -1.171 -3.167 1.323) 3.626 7.911 ( 2.033 2.254 2.223) 3.762 8.024 ( -1.935 2.735 -2.706) 4.307 8.132 ( -4.086 -2.712 2.137) 5.350 8.159 ( 2.590 1.618 2.488) 3.939 8.310 ( -0.143 -6.865 -0.701) 6.902 8.345 ( 3.096 -4.142 3.277) 6.122 8.391 ( 5.102 2.972 -1.775) 6.165 8.517 ( 3.538 -2.688 -2.198) 4.957 8.933 ( -4.852 5.712 0.807) 7.538 9.089 ( -4.917 1.504 1.572) 5.377 9.400 ( -7.871 2.396 3.087) 8.787 9.699 ( -5.599 -8.511 5.799) 11.722 18.998 ( 0.923 3.286 -0.632) 3.471 19.095 ( 2.750 0.889 1.049) 3.074 19.276 ( 2.837 3.600 -1.564) 4.843 19.471 ( 6.306 -3.788 -2.907) 7.910 20.287 ( -3.456 5.107 -2.135) 6.526 20.480 ( -1.452 -3.465 -1.464) 4.032 20.682 ( -1.062 5.153 -1.460) 5.460 20.908 ( 1.988 -5.594 -3.467) 6.875 ======================= Grid point 147 (78/128) ======================= q-point: ( 0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.694 ( 9.383 5.066 -13.155) 16.934 1.956 ( 3.657 -4.965 -5.673) 8.378 2.116 ( 9.563 5.568 7.205) 13.205 2.289 ( 10.959 3.275 -2.942) 11.810 2.546 ( 6.367 3.111 14.917) 16.514 2.709 ( 7.025 -3.629 -0.806) 7.948 2.760 ( -2.300 -7.872 2.486) 8.570 2.928 ( -0.495 -1.882 6.133) 6.434 2.950 ( -2.004 -5.236 4.882) 7.434 3.064 ( 5.587 -6.397 7.256) 11.171 3.282 ( -3.668 5.162 2.676) 6.875 3.387 ( -6.157 0.437 2.980) 6.854 3.551 ( -9.316 -0.409 0.806) 9.360 3.603 ( -6.901 -6.176 -4.068) 10.116 3.706 ( -0.141 6.215 6.472) 8.974 3.811 ( 7.579 -1.063 13.087) 15.160 4.105 ( -1.399 -0.543 0.762) 1.684 4.169 ( 0.748 -1.795 1.249) 2.311 4.213 ( 4.072 3.480 -6.763) 8.627 4.282 ( 4.274 2.500 0.889) 5.031 4.313 ( 5.491 -0.049 1.760) 5.766 4.463 ( 3.349 -4.038 -0.550) 5.275 4.612 ( 0.220 7.954 -1.457) 8.089 4.706 ( -1.675 4.145 -5.315) 6.945 4.765 ( -2.773 0.124 -2.383) 3.659 4.798 ( -3.181 1.467 -4.298) 5.544 4.903 ( -4.695 -3.812 -1.031) 6.135 4.991 ( -5.123 -6.029 -3.311) 8.577 5.156 ( -1.719 0.124 -1.867) 2.541 5.195 ( -0.243 0.330 -7.383) 7.394 5.336 ( 3.905 1.758 2.591) 5.006 5.431 ( -0.633 -1.379 -3.390) 3.714 5.675 ( 0.146 13.968 1.576) 14.058 5.816 ( -0.187 6.843 -0.168) 6.847 6.080 ( -8.596 2.667 -5.066) 10.328 6.094 ( 2.377 1.194 -0.448) 2.698 6.216 ( -5.456 0.415 -2.309) 5.939 6.345 ( 0.023 -4.393 -5.074) 6.711 6.374 ( 0.071 -0.682 3.492) 3.559 6.430 ( 4.704 -0.388 2.199) 5.207 6.553 ( 2.800 -8.532 4.460) 10.026 6.655 ( 5.265 -8.019 -2.487) 9.910 6.888 ( -2.287 -0.953 -3.700) 4.453 6.966 ( -6.230 -2.477 -5.006) 8.367 7.152 ( 1.129 1.395 -4.513) 4.857 7.204 ( -3.821 3.272 3.653) 6.218 7.230 ( -2.535 -0.588 -2.060) 3.319 7.353 ( -2.487 -2.345 2.785) 4.409 7.596 ( -4.908 5.743 0.825) 7.599 7.726 ( -0.228 -0.343 2.813) 2.843 7.784 ( 4.413 3.477 3.336) 6.534 7.872 ( -0.325 0.020 1.253) 1.294 7.940 ( -3.099 -0.074 -0.339) 3.119 8.016 ( 3.369 -2.568 3.533) 5.515 8.044 ( -3.352 -1.220 -1.185) 3.759 8.212 ( -0.064 -7.785 0.992) 7.849 8.310 ( 1.183 0.805 3.048) 3.367 8.412 ( 1.944 -2.745 2.291) 4.070 8.494 ( 4.748 2.292 1.118) 5.389 8.598 ( 5.056 -2.036 0.667) 5.492 8.860 ( -2.697 4.705 -0.856) 5.490 8.987 ( -4.756 -0.673 -1.166) 4.943 9.291 ( -5.497 6.742 0.855) 8.741 9.576 ( -9.836 -6.679 1.967) 12.051 19.019 ( 1.286 3.350 0.208) 3.594 19.150 ( 1.742 -2.086 1.709) 3.211 19.308 ( 2.072 8.664 -3.023) 9.407 19.558 ( 4.948 -1.773 -4.298) 6.790 20.248 ( 0.320 2.689 0.669) 2.789 20.414 ( -2.300 -4.468 -0.861) 5.099 20.693 ( 1.218 3.125 -0.058) 3.355 20.889 ( -1.625 -5.637 -2.452) 6.358 ======================= Grid point 148 (79/128) ======================= q-point: (-0.56 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.728 2.225 -10.241) 10.505 1.882 ( -6.610 -7.091 -8.515) 12.902 2.269 ( 3.670 8.913 0.257) 9.643 2.522 ( 11.473 9.850 6.323) 16.391 2.687 ( -5.299 2.050 4.620) 7.324 2.761 ( 5.748 -10.601 -4.447) 12.853 2.804 ( 1.664 3.658 2.074) 4.522 2.919 ( -2.784 -2.001 11.255) 11.765 3.040 ( 0.213 1.226 11.394) 11.461 3.136 ( -5.820 2.579 2.854) 6.976 3.190 ( -6.288 0.009 4.063) 7.487 3.335 ( 7.513 -12.251 -1.995) 14.509 3.462 ( -1.782 -8.665 2.637) 9.231 3.512 ( -0.680 -4.798 0.701) 4.896 3.788 ( 0.290 4.098 6.842) 7.981 3.988 ( -0.578 -3.496 10.649) 11.223 4.041 ( -6.583 -1.519 3.816) 7.759 4.176 ( -1.652 -4.265 3.333) 5.660 4.286 ( 8.437 7.618 -6.527) 13.107 4.331 ( 3.154 5.806 -2.536) 7.077 4.416 ( 3.507 1.586 3.325) 5.086 4.526 ( 0.086 -1.727 2.583) 3.109 4.603 ( 0.206 4.008 -0.647) 4.065 4.665 ( 1.083 5.082 -1.496) 5.407 4.722 ( 0.859 3.548 -7.129) 8.009 4.753 ( 1.851 0.540 -3.665) 4.141 4.828 ( -2.087 -4.811 -1.249) 5.391 4.925 ( -0.482 -7.372 1.184) 7.482 5.089 ( -0.540 1.453 -7.460) 7.619 5.174 ( 1.088 -2.114 -3.832) 4.510 5.373 ( -0.713 3.131 -1.874) 3.718 5.446 ( 4.709 3.886 -0.831) 6.162 5.694 ( 0.413 9.346 2.056) 9.578 5.772 ( -4.140 3.684 -2.065) 5.914 5.879 ( -6.026 3.917 -4.235) 8.342 6.041 ( -4.359 -2.859 -4.713) 7.028 6.179 ( 1.435 4.900 -1.826) 5.423 6.292 ( -0.875 0.222 -3.870) 3.974 6.434 ( 1.737 -2.391 4.734) 5.581 6.515 ( 1.749 -0.594 0.410) 1.893 6.628 ( -0.438 -9.488 0.806) 9.532 6.711 ( 1.426 -7.192 0.219) 7.335 6.789 ( 0.029 -1.894 -4.704) 5.071 6.807 ( -3.822 -1.145 -3.837) 5.536 7.098 ( 0.924 1.666 -2.400) 3.064 7.168 ( -2.476 -1.235 0.399) 2.796 7.243 ( 0.737 3.083 -0.589) 3.225 7.362 ( -0.261 -2.426 1.311) 2.770 7.527 ( -2.307 4.109 0.516) 4.741 7.715 ( -2.845 -3.024 1.349) 4.366 7.840 ( -1.039 -1.616 2.714) 3.325 7.861 ( -1.094 2.942 1.324) 3.406 7.927 ( -2.265 0.486 1.834) 2.955 7.963 ( 0.292 -5.402 0.400) 5.425 8.130 ( 2.366 -1.472 2.018) 3.441 8.216 ( 2.890 -5.138 -0.565) 5.922 8.411 ( 4.338 3.466 6.957) 8.901 8.483 ( 3.607 -0.502 3.592) 5.115 8.570 ( 0.595 1.738 4.713) 5.058 8.682 ( 0.406 -2.834 3.040) 4.176 8.824 ( 1.570 4.321 -3.673) 5.884 8.920 ( 0.301 0.097 -3.444) 3.459 9.191 ( -4.781 5.020 -1.248) 7.044 9.369 ( -11.190 -3.897 -1.552) 11.950 19.049 ( 1.198 3.460 1.263) 3.873 19.181 ( -0.243 -2.710 1.869) 3.301 19.314 ( 1.500 10.518 -3.415) 11.159 19.579 ( 1.191 -0.576 -6.217) 6.356 20.305 ( 3.207 1.270 3.874) 5.187 20.418 ( 2.157 -3.863 2.864) 5.270 20.697 ( -0.459 0.216 -2.162) 2.221 20.825 ( -1.817 -5.099 -3.384) 6.383 ======================= Grid point 149 (80/128) ======================= q-point: (-0.44 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -11.215 -3.264 -3.418) 12.171 1.595 ( -13.030 -4.590 -7.810) 15.870 2.260 ( -8.457 5.534 0.936) 10.150 2.489 ( -6.548 7.240 2.735) 10.137 2.738 ( -10.138 -4.396 2.625) 11.358 2.804 ( 6.348 -7.842 -3.550) 10.696 2.857 ( 7.363 2.837 0.187) 7.893 3.003 ( 1.732 -1.022 4.997) 5.386 3.047 ( 9.551 6.121 0.691) 11.365 3.139 ( -0.873 4.449 9.836) 10.831 3.260 ( -0.702 -1.469 13.197) 13.297 3.412 ( -5.030 -1.387 6.219) 8.118 3.494 ( 7.549 -11.169 -0.107) 13.481 3.541 ( -0.399 -4.383 1.264) 4.579 3.736 ( -5.373 0.627 -1.316) 5.567 3.918 ( -9.365 -1.226 6.187) 11.291 4.017 ( -2.159 -2.980 8.433) 9.201 4.154 ( -3.972 -7.177 4.195) 9.213 4.364 ( 0.587 4.809 -0.655) 4.889 4.381 ( 1.356 6.330 -7.410) 9.840 4.487 ( -2.208 5.626 4.765) 7.696 4.518 ( 2.668 4.048 -2.855) 5.626 4.602 ( 0.489 1.716 0.382) 1.824 4.650 ( -1.826 0.007 -5.137) 5.452 4.738 ( 4.803 3.620 -0.769) 6.063 4.789 ( -0.007 -3.459 -0.037) 3.459 4.844 ( 2.475 -0.318 -2.156) 3.298 4.863 ( 2.286 1.867 -4.329) 5.240 5.110 ( 6.599 -1.327 -3.768) 7.714 5.189 ( 2.835 -4.816 -4.738) 7.326 5.371 ( 1.548 7.301 2.735) 7.949 5.545 ( 5.046 2.176 -0.021) 5.496 5.631 ( -3.218 2.633 -5.546) 6.931 5.737 ( -1.627 -1.200 -5.211) 5.589 5.765 ( 0.185 6.980 -0.177) 6.985 5.959 ( 0.077 -2.131 -3.336) 3.960 6.195 ( 1.337 5.026 -1.625) 5.448 6.239 ( -2.415 3.872 -3.077) 5.504 6.417 ( -5.868 -3.163 2.096) 6.988 6.529 ( 0.330 -4.927 0.501) 4.963 6.618 ( 2.022 -5.167 0.979) 5.635 6.703 ( 0.297 -8.788 -3.329) 9.402 6.767 ( 0.027 3.762 -1.671) 4.116 6.872 ( 6.092 -1.300 0.418) 6.243 7.125 ( 2.703 -1.432 -3.299) 4.499 7.142 ( -0.651 -2.910 -2.401) 3.828 7.255 ( 2.048 2.352 2.838) 4.216 7.349 ( -0.124 -2.455 0.928) 2.627 7.496 ( -1.399 1.002 0.665) 1.845 7.667 ( -3.760 -5.462 2.583) 7.116 7.773 ( -3.803 -1.216 -0.356) 4.009 7.889 ( 1.382 1.796 3.233) 3.948 7.939 ( -0.663 -2.533 -0.585) 2.683 7.975 ( 1.888 0.997 3.749) 4.314 8.182 ( 1.557 0.671 0.353) 1.732 8.265 ( 2.740 -4.473 -2.188) 5.684 8.545 ( 1.333 4.721 4.390) 6.583 8.592 ( 1.030 1.165 5.367) 5.588 8.610 ( 4.498 0.171 5.545) 7.142 8.645 ( -4.540 -0.112 1.926) 4.933 8.858 ( 2.769 2.955 -1.235) 4.233 8.965 ( 6.007 -0.033 -2.452) 6.488 9.086 ( -6.063 0.545 -0.548) 6.112 9.159 ( -5.930 -1.394 -3.488) 7.019 19.081 ( 0.681 3.605 2.101) 4.228 19.163 ( -2.254 1.417 0.074) 2.663 19.322 ( 0.880 6.092 -1.169) 6.265 19.519 ( -1.762 -0.781 -6.832) 7.099 20.389 ( 0.911 1.412 4.238) 4.559 20.526 ( 5.424 -3.650 3.014) 7.199 20.631 ( -3.085 1.363 -2.708) 4.325 20.812 ( 4.219 -6.269 -5.061) 9.095 ======================= Grid point 150 (81/128) ======================= q-point: (-0.33 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -19.673 -1.099 -3.424) 19.999 1.418 ( -5.902 -10.384 0.870) 11.976 1.967 ( -19.843 7.499 3.446) 21.491 2.411 ( -7.839 -5.933 0.566) 9.847 2.627 ( -1.550 1.608 3.648) 4.277 2.820 ( -2.222 -9.122 -3.838) 10.143 2.969 ( 2.911 8.453 0.578) 8.959 3.002 ( -5.551 8.220 4.232) 10.785 3.154 ( -3.745 4.287 9.113) 10.745 3.277 ( 3.763 2.835 4.794) 6.722 3.360 ( 5.828 -2.234 8.752) 10.750 3.434 ( -2.782 2.147 0.617) 3.568 3.473 ( 3.456 -2.563 6.408) 7.718 3.644 ( 6.230 -7.407 -1.565) 9.804 3.692 ( 1.117 -4.543 -0.039) 4.678 3.814 ( -5.139 -4.548 6.845) 9.692 4.007 ( -4.603 -2.635 0.054) 5.304 4.096 ( -5.326 -7.689 7.022) 11.696 4.210 ( -11.285 7.324 -3.944) 14.020 4.331 ( -1.964 2.620 -3.144) 4.539 4.366 ( -7.098 -2.592 -1.867) 7.784 4.498 ( -7.119 -2.879 0.087) 7.679 4.632 ( 6.317 1.503 -3.777) 7.511 4.644 ( 3.179 5.095 -3.159) 6.786 4.753 ( 1.879 -0.108 0.514) 1.951 4.816 ( 2.858 7.694 -4.555) 9.387 4.884 ( 5.428 -0.984 1.084) 5.622 4.994 ( 4.008 1.477 -4.979) 6.560 5.196 ( 2.056 -0.376 -3.531) 4.103 5.206 ( 3.289 -4.579 -4.356) 7.124 5.400 ( 0.736 10.567 -1.656) 10.722 5.577 ( 2.149 5.751 0.622) 6.171 5.615 ( -2.403 1.073 -4.002) 4.790 5.685 ( 4.682 -1.602 1.642) 5.214 5.863 ( 7.919 1.906 -1.568) 8.295 6.013 ( 6.049 -1.055 -0.799) 6.193 6.143 ( -1.518 2.954 -2.444) 4.123 6.224 ( -0.284 1.741 -0.750) 1.917 6.327 ( -3.830 0.792 2.914) 4.878 6.531 ( -1.655 -6.323 1.986) 6.831 6.661 ( -0.580 -5.635 -3.238) 6.524 6.689 ( 3.119 -3.042 -1.372) 4.568 6.759 ( 0.445 4.953 -2.320) 5.488 6.943 ( 3.143 -3.466 -3.289) 5.719 7.080 ( -1.902 -4.760 -3.988) 6.495 7.181 ( 4.243 -5.130 0.715) 6.695 7.382 ( 6.710 2.340 5.297) 8.863 7.406 ( 3.847 -0.367 -0.837) 3.954 7.509 ( 1.134 -1.907 5.994) 6.391 7.609 ( -4.288 -5.062 4.011) 7.752 7.727 ( -0.166 3.678 -0.579) 3.727 7.907 ( 0.053 -2.806 -1.931) 3.407 7.967 ( 0.819 4.359 1.705) 4.751 8.018 ( 1.291 0.037 1.585) 2.045 8.175 ( -0.975 0.393 -1.869) 2.144 8.306 ( 2.314 -5.493 -1.193) 6.078 8.498 ( -4.799 2.435 -0.726) 5.430 8.548 ( -4.426 -0.156 -2.384) 5.030 8.647 ( -1.772 4.742 2.363) 5.586 8.751 ( 3.264 0.267 5.777) 6.641 8.875 ( 0.630 2.610 -2.480) 3.655 8.962 ( -2.919 -0.229 -2.221) 3.675 9.072 ( 6.486 1.798 0.767) 6.774 9.195 ( 5.660 -5.144 9.718) 12.367 19.082 ( -3.006 4.901 0.251) 5.755 19.126 ( -0.420 3.612 1.140) 3.811 19.315 ( -1.675 1.720 -0.262) 2.415 19.429 ( -1.882 -2.624 -5.701) 6.552 20.377 ( -3.150 0.729 -0.668) 3.301 20.507 ( -4.706 -3.023 -0.416) 5.609 20.710 ( 8.620 2.838 -0.780) 9.108 20.898 ( 7.702 -4.026 -4.688) 9.875 ======================= Grid point 151 (82/128) ======================= q-point: (-0.22 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -13.140 4.636 5.016) 14.810 1.408 ( 3.003 -15.516 3.943) 16.288 1.606 ( -18.974 11.764 2.635) 22.480 2.240 ( -11.077 -11.532 6.241) 17.165 2.569 ( -10.968 7.663 4.751) 14.198 2.709 ( -1.166 4.624 -4.037) 6.248 2.918 ( -3.451 5.002 3.843) 7.191 3.004 ( -6.734 6.410 -1.463) 9.411 3.114 ( -0.198 1.394 0.534) 1.506 3.261 ( -10.295 -4.023 6.016) 12.584 3.403 ( 3.948 -4.366 -3.041) 6.626 3.440 ( -5.019 1.854 5.560) 7.716 3.675 ( 1.284 2.076 4.190) 4.849 3.716 ( -0.346 -11.373 4.892) 12.386 3.751 ( 2.890 -0.219 -0.896) 3.034 3.823 ( 4.251 -5.299 6.920) 9.697 3.902 ( -2.061 -0.416 -2.858) 3.548 4.012 ( -0.164 6.529 2.406) 6.960 4.063 ( -3.248 -11.148 0.954) 11.650 4.266 ( -4.107 -2.961 2.853) 5.812 4.291 ( 0.777 1.466 -1.253) 2.079 4.397 ( -0.153 -3.225 -2.925) 4.357 4.691 ( 3.988 4.579 -3.014) 6.779 4.721 ( 3.358 2.102 -0.988) 4.083 4.825 ( 0.492 5.063 -3.315) 6.072 4.833 ( 5.401 4.767 -2.152) 7.519 4.941 ( -1.839 2.167 -3.131) 4.228 4.961 ( 1.043 -2.960 -0.835) 3.247 5.150 ( -3.773 -2.880 -6.122) 7.747 5.204 ( 1.841 -0.527 -1.575) 2.480 5.407 ( 2.560 6.894 -4.482) 8.612 5.569 ( 0.518 -1.128 -1.209) 1.733 5.652 ( 2.447 6.112 1.267) 6.705 5.775 ( 3.062 -1.091 -1.570) 3.610 5.968 ( 2.086 1.245 2.716) 3.644 6.091 ( -1.248 -2.513 -3.052) 4.146 6.145 ( 2.362 5.983 -0.394) 6.445 6.223 ( 3.039 -0.812 -0.249) 3.155 6.340 ( 2.471 3.797 2.030) 4.964 6.482 ( -5.215 -5.662 2.310) 8.037 6.625 ( 1.358 -1.396 -2.838) 3.442 6.717 ( 0.748 7.883 0.739) 7.952 6.801 ( 6.057 -4.671 -4.061) 8.660 7.012 ( 5.457 -5.358 -1.802) 7.857 7.055 ( 2.987 -3.440 -2.443) 5.170 7.247 ( 1.513 -6.390 0.260) 6.572 7.426 ( 0.165 1.303 0.119) 1.319 7.524 ( -1.499 -2.529 0.108) 2.942 7.560 ( 2.827 0.600 6.629) 7.231 7.649 ( 2.780 -3.347 7.171) 8.388 7.760 ( 3.785 6.729 -1.043) 7.790 7.868 ( -0.895 0.622 -3.715) 3.872 7.957 ( -0.363 4.395 -0.073) 4.410 8.072 ( 2.053 -2.230 0.490) 3.070 8.149 ( -0.418 -0.123 -1.087) 1.171 8.297 ( -3.143 -4.020 -0.665) 5.146 8.379 ( -5.321 2.434 -2.562) 6.388 8.443 ( -3.824 -0.809 -3.400) 5.180 8.582 ( -2.865 3.399 -2.837) 5.274 8.735 ( -4.067 -3.053 -4.089) 6.525 8.938 ( 4.248 2.943 0.620) 5.205 8.968 ( 3.533 1.208 2.395) 4.436 9.231 ( 6.495 2.242 6.145) 9.218 9.441 ( 8.193 -9.421 15.917) 20.230 19.004 ( -3.916 5.543 -0.556) 6.809 19.133 ( -0.589 4.537 1.311) 4.759 19.239 ( -4.717 -2.272 -1.753) 5.521 19.380 ( -0.391 -4.421 -2.581) 5.134 20.299 ( -2.775 1.273 -2.069) 3.688 20.419 ( -3.794 -3.287 -0.266) 5.027 20.853 ( 7.843 5.755 -4.969) 10.924 20.997 ( 5.685 0.139 -5.783) 8.111 ======================= Grid point 152 (83/128) ======================= q-point: (-0.11 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 2.837 11.218 13.139) 17.507 1.328 ( -11.702 16.748 7.073) 21.621 1.556 ( 7.839 -17.511 2.695) 19.374 2.100 ( -8.233 -14.373 7.362) 18.127 2.416 ( -9.839 13.870 11.903) 20.757 2.654 ( 0.139 3.324 -9.658) 10.215 2.762 ( -10.974 4.182 -6.364) 13.357 2.862 ( -4.257 0.248 -3.506) 5.521 3.049 ( -12.001 -10.241 -1.536) 15.851 3.135 ( -0.079 1.490 1.422) 2.061 3.364 ( -6.108 4.100 8.086) 10.932 3.379 ( -2.294 -4.428 -2.769) 5.705 3.631 ( -6.975 2.608 4.957) 8.946 3.653 ( -4.909 -6.299 6.542) 10.324 3.830 ( 4.391 -1.353 -0.708) 4.649 3.833 ( -3.644 -6.689 4.538) 8.866 4.038 ( 0.302 -5.047 -1.104) 5.175 4.074 ( 8.816 0.672 5.750) 10.546 4.158 ( 6.739 7.200 -4.078) 10.671 4.237 ( 2.387 0.786 2.933) 3.862 4.360 ( 5.689 0.534 0.260) 5.720 4.439 ( 3.797 -2.039 -2.737) 5.105 4.665 ( -4.920 4.434 -3.257) 7.380 4.752 ( 2.907 5.318 -3.267) 6.885 4.811 ( -0.030 -3.503 2.377) 4.234 4.888 ( 3.682 3.932 -2.881) 6.109 4.948 ( -0.514 1.606 2.039) 2.646 4.973 ( 3.165 0.183 2.055) 3.777 5.078 ( 1.208 -1.826 0.509) 2.248 5.246 ( 3.741 -2.905 -2.679) 5.442 5.438 ( 4.073 4.541 -4.098) 7.348 5.557 ( -1.739 -2.022 -0.632) 2.741 5.692 ( 0.973 6.172 -0.323) 6.257 5.787 ( -0.317 -2.106 -2.420) 3.224 5.980 ( -2.896 -1.470 0.520) 3.289 6.025 ( 0.503 -5.065 -6.087) 7.935 6.110 ( -2.775 4.166 -0.151) 5.008 6.279 ( 0.897 2.960 -1.336) 3.370 6.369 ( -3.793 -4.797 3.819) 7.210 6.448 ( 2.460 -0.042 1.354) 2.808 6.671 ( 4.346 3.390 -3.725) 6.653 6.792 ( 3.971 10.419 4.106) 11.882 6.872 ( 4.970 -4.614 -4.141) 7.946 7.022 ( -0.502 2.001 -5.141) 5.539 7.165 ( 1.465 -4.037 -1.476) 4.541 7.283 ( 5.758 -7.342 1.015) 9.385 7.421 ( -1.467 0.886 1.694) 2.410 7.474 ( -1.697 -0.911 -0.025) 1.926 7.621 ( 0.786 0.981 0.254) 1.283 7.685 ( -1.106 -2.199 1.437) 2.850 7.843 ( 3.962 6.202 1.899) 7.601 7.882 ( 2.610 2.297 -0.175) 3.482 7.979 ( 1.242 2.946 1.361) 3.475 8.065 ( -2.768 0.552 -1.466) 3.181 8.115 ( -1.094 -2.764 -4.033) 5.010 8.216 ( -4.624 -5.425 2.132) 7.440 8.274 ( -3.780 2.580 -0.819) 4.650 8.374 ( -0.862 -0.761 -1.975) 2.285 8.515 ( -1.230 1.137 -5.140) 5.406 8.609 ( -3.849 -3.391 -7.123) 8.778 8.993 ( 2.305 5.464 1.044) 6.022 9.085 ( 2.626 2.874 5.507) 6.744 9.405 ( 6.082 -0.725 7.738) 9.869 9.682 ( 2.947 -15.556 13.723) 20.952 18.943 ( -1.916 4.824 0.377) 5.204 19.107 ( -2.186 5.148 -2.117) 5.980 19.155 ( -2.455 -4.260 1.907) 5.274 19.357 ( -0.135 -5.518 -2.351) 6.000 20.269 ( 0.975 2.584 0.042) 2.762 20.378 ( -0.789 -2.323 2.158) 3.267 20.918 ( 4.867 9.081 -11.249) 15.254 21.011 ( 0.719 2.571 -6.743) 7.252 ======================= Grid point 153 (84/128) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( 7.493 -15.420 6.135) 18.209 1.321 ( 7.493 15.420 6.135) 18.209 1.712 ( 0.205 -18.987 6.218) 19.980 1.712 ( 0.205 18.987 6.218) 19.980 2.450 ( -7.869 -7.471 -7.830) 13.381 2.450 ( -7.869 7.471 -7.830) 13.381 2.689 ( 0.395 -5.929 -8.576) 10.434 2.689 ( 0.395 5.929 -8.576) 10.434 3.019 ( -2.779 -14.380 7.286) 16.359 3.019 ( -2.779 14.380 7.286) 16.359 3.276 ( -4.637 -5.289 8.912) 11.354 3.276 ( -4.637 5.289 8.912) 11.354 3.639 ( -1.704 -1.526 5.242) 5.719 3.639 ( -1.704 1.526 5.242) 5.719 3.795 ( 1.314 -5.317 0.652) 5.516 3.795 ( 1.314 5.317 0.652) 5.516 4.063 ( -1.849 -7.250 1.370) 7.607 4.063 ( -1.849 7.250 1.370) 7.607 4.331 ( 1.460 -6.360 -4.998) 8.219 4.331 ( 1.460 6.360 -4.998) 8.219 4.474 ( -1.317 -2.295 -0.326) 2.666 4.474 ( -1.317 2.295 -0.326) 2.666 4.724 ( 0.901 -7.467 4.199) 8.614 4.724 ( 0.901 7.467 4.199) 8.614 4.856 ( 2.978 -1.246 1.061) 3.398 4.856 ( 2.978 1.246 1.061) 3.398 5.053 ( 3.724 -3.427 -1.795) 5.370 5.053 ( 3.724 3.427 -1.795) 5.370 5.251 ( 7.993 -4.293 3.496) 9.723 5.251 ( 7.993 4.293 3.496) 9.723 5.505 ( -2.548 -4.886 -1.963) 5.850 5.505 ( -2.548 4.886 -1.963) 5.850 5.706 ( -2.844 -1.927 -4.937) 6.015 5.706 ( -2.844 1.927 -4.937) 6.015 5.915 ( 1.867 -4.523 -5.773) 7.568 5.915 ( 1.867 4.523 -5.773) 7.568 6.179 ( 0.861 -4.966 3.349) 6.051 6.179 ( 0.861 4.966 3.349) 6.051 6.416 ( -0.325 -4.732 -0.263) 4.751 6.416 ( -0.325 4.732 -0.263) 4.751 6.775 ( 0.766 -3.208 -2.363) 4.057 6.775 ( 0.766 3.208 -2.363) 4.057 6.977 ( -6.800 -6.263 -5.441) 10.727 6.977 ( -6.800 6.263 -5.441) 10.727 7.240 ( 4.855 -11.238 2.654) 12.526 7.240 ( 4.855 11.238 2.654) 12.526 7.447 ( 1.860 -3.920 0.469) 4.364 7.447 ( 1.860 3.920 0.469) 4.364 7.657 ( -0.805 -0.696 1.022) 1.475 7.657 ( -0.805 0.696 1.022) 1.475 7.929 ( -1.591 -2.338 -3.142) 4.227 7.929 ( -1.591 2.338 -3.142) 4.227 8.031 ( -0.723 -2.373 2.254) 3.352 8.031 ( -0.723 2.373 2.254) 3.352 8.068 ( 0.439 -0.855 2.266) 2.461 8.068 ( 0.439 0.855 2.266) 2.461 8.288 ( -1.764 -4.255 -1.866) 4.969 8.288 ( -1.764 4.255 -1.866) 4.969 8.468 ( -0.724 -0.957 -6.688) 6.795 8.468 ( -0.724 0.957 -6.688) 6.795 9.167 ( 0.034 -2.615 5.377) 5.979 9.167 ( 0.034 2.615 5.377) 5.979 9.528 ( -1.548 -3.010 7.606) 8.325 9.528 ( -1.548 3.010 7.606) 8.325 19.029 ( 0.287 -4.274 1.138) 4.432 19.029 ( 0.287 4.274 1.138) 4.432 19.222 ( 1.234 -6.044 -1.904) 6.456 19.222 ( 1.234 6.044 -1.904) 6.456 20.380 ( 2.558 -2.077 3.554) 4.846 20.380 ( 2.558 2.077 3.554) 4.846 20.960 ( -1.248 -1.230 -11.074) 11.212 20.960 ( -1.248 1.230 -11.074) 11.212 ======================= Grid point 155 (85/128) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 9.866 -9.345 8.897) 16.243 1.541 ( 9.866 9.345 8.897) 16.243 1.761 ( 1.467 -13.313 0.719) 13.413 1.761 ( 1.467 13.313 0.719) 13.413 2.369 ( 3.895 -0.397 -1.465) 4.180 2.369 ( 3.895 0.397 -1.465) 4.180 2.659 ( 3.683 -6.998 -10.579) 13.208 2.659 ( 3.683 6.998 -10.579) 13.208 3.026 ( -2.305 -8.526 3.098) 9.360 3.026 ( -2.305 8.526 3.098) 9.360 3.298 ( -1.548 -7.186 13.839) 15.670 3.298 ( -1.548 7.186 13.839) 15.670 3.666 ( -0.532 -1.415 5.060) 5.281 3.666 ( -0.532 1.415 5.060) 5.281 3.817 ( 0.212 -6.315 1.289) 6.449 3.817 ( 0.212 6.315 1.289) 6.449 4.020 ( -2.168 -6.205 2.387) 6.993 4.020 ( -2.168 6.205 2.387) 6.993 4.307 ( 1.943 -6.712 -7.198) 10.032 4.307 ( 1.943 6.712 -7.198) 10.032 4.368 ( -7.956 -6.635 0.345) 10.365 4.368 ( -7.956 6.635 0.345) 10.365 4.757 ( -0.569 -5.109 3.699) 6.333 4.757 ( -0.569 5.109 3.699) 6.333 4.944 ( 1.912 -4.715 2.770) 5.793 4.944 ( 1.912 4.715 2.770) 5.793 5.085 ( 2.055 -4.496 -6.681) 8.311 5.085 ( 2.055 4.496 -6.681) 8.311 5.342 ( -3.553 -1.123 0.117) 3.728 5.342 ( -3.553 1.123 0.117) 3.728 5.409 ( -3.016 -11.820 -5.179) 13.253 5.409 ( -3.016 11.820 -5.179) 13.253 5.685 ( 6.312 -2.779 -1.277) 7.014 5.685 ( 6.312 2.779 -1.277) 7.014 5.963 ( 6.385 -9.284 -3.742) 11.873 5.963 ( 6.385 9.284 -3.742) 11.873 6.272 ( 4.157 -4.175 4.752) 7.569 6.272 ( 4.157 4.175 4.752) 7.569 6.397 ( -1.335 -3.021 0.339) 3.320 6.397 ( -1.335 3.021 0.339) 3.320 6.683 ( -9.311 -1.975 -5.239) 10.865 6.683 ( -9.311 1.975 -5.239) 10.865 6.855 ( 0.417 -5.585 -0.396) 5.614 6.855 ( 0.417 5.585 -0.396) 5.614 7.272 ( -1.132 -7.693 -0.209) 7.779 7.272 ( -1.132 7.693 -0.209) 7.779 7.525 ( 1.143 -5.645 0.884) 5.827 7.525 ( 1.143 5.645 0.884) 5.827 7.615 ( -1.804 -1.590 1.432) 2.799 7.615 ( -1.804 1.590 1.432) 2.799 7.853 ( -2.682 -2.065 -3.031) 4.543 7.853 ( -2.682 2.065 -3.031) 4.543 8.051 ( -0.666 -1.916 2.438) 3.172 8.051 ( -0.666 1.916 2.438) 3.172 8.114 ( 1.560 -2.738 2.890) 4.275 8.114 ( 1.560 2.738 2.890) 4.275 8.250 ( -0.489 -2.244 -1.179) 2.582 8.250 ( -0.489 2.244 -1.179) 2.582 8.424 ( 1.424 -2.957 -5.419) 6.335 8.424 ( 1.424 2.957 -5.419) 6.335 9.143 ( -5.769 -4.493 3.869) 8.272 9.143 ( -5.769 4.493 3.869) 8.272 9.545 ( -2.045 -5.821 6.232) 8.770 9.545 ( -2.045 5.821 6.232) 8.770 19.048 ( 0.697 -2.454 0.375) 2.578 19.048 ( 0.697 2.454 0.375) 2.578 19.271 ( 5.199 -4.860 -1.772) 7.334 19.271 ( 5.199 4.860 -1.772) 7.334 20.438 ( 0.109 -1.791 1.828) 2.561 20.438 ( 0.109 1.791 1.828) 2.561 20.843 ( -1.938 -3.158 -7.995) 8.812 20.843 ( -1.938 3.158 -7.995) 8.812 ======================= Grid point 157 (86/128) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 7.778 -9.584 -7.235) 14.307 1.742 ( 7.778 9.584 -7.235) 14.307 1.915 ( 12.893 -7.007 10.240) 17.894 1.915 ( 12.893 7.007 10.240) 17.894 2.504 ( 5.860 -4.508 4.416) 8.612 2.504 ( 5.860 4.508 4.416) 8.612 2.682 ( 6.570 -2.862 -6.588) 9.735 2.682 ( 6.570 2.862 -6.588) 9.735 2.962 ( -5.406 -3.766 2.353) 6.996 2.962 ( -5.406 3.766 2.353) 6.996 3.398 ( 0.441 -2.715 10.689) 11.037 3.398 ( 0.441 2.715 10.689) 11.037 3.656 ( -5.041 -3.540 6.820) 9.190 3.656 ( -5.041 3.540 6.820) 9.190 3.802 ( -4.222 -5.733 2.174) 7.445 3.802 ( -4.222 5.733 2.174) 7.445 4.073 ( 4.543 -0.843 2.087) 5.071 4.073 ( 4.543 0.843 2.087) 5.071 4.226 ( -2.987 -5.276 -2.245) 6.465 4.226 ( -2.987 5.276 -2.245) 6.465 4.310 ( 2.691 -6.626 -4.379) 8.386 4.310 ( 2.691 6.626 -4.379) 8.386 4.767 ( -1.623 -4.521 4.452) 6.550 4.767 ( -1.623 4.521 4.452) 6.550 4.911 ( -5.079 -7.035 -3.382) 9.312 4.911 ( -5.079 7.035 -3.382) 9.312 5.011 ( -3.056 -2.728 -7.373) 8.435 5.011 ( -3.056 2.728 -7.373) 8.435 5.247 ( -3.139 -1.994 -6.466) 7.459 5.247 ( -3.139 1.994 -6.466) 7.459 5.346 ( 1.799 -7.184 -2.137) 7.708 5.346 ( 1.799 7.184 -2.137) 7.708 5.826 ( 4.687 -4.239 2.141) 6.673 5.826 ( 4.687 4.239 2.141) 6.673 6.077 ( 6.323 -8.769 0.108) 10.812 6.077 ( 6.323 8.769 0.108) 10.812 6.323 ( -2.904 -2.673 0.091) 3.948 6.323 ( -2.904 2.673 0.091) 3.948 6.406 ( -1.517 -4.746 2.954) 5.792 6.406 ( -1.517 4.746 2.954) 5.792 6.466 ( -2.629 -1.269 -5.322) 6.070 6.466 ( -2.629 1.269 -5.322) 6.070 6.916 ( 3.191 -3.334 1.538) 4.865 6.916 ( 3.191 3.334 1.538) 4.865 7.236 ( -0.829 -5.015 -3.219) 6.016 7.236 ( -0.829 5.015 -3.219) 6.016 7.403 ( -9.431 -2.268 0.915) 9.743 7.403 ( -9.431 2.268 0.915) 9.743 7.689 ( 3.455 -5.023 1.374) 6.250 7.689 ( 3.455 5.023 1.374) 6.250 7.802 ( -1.126 -1.992 1.424) 2.696 7.802 ( -1.126 1.992 1.424) 2.696 8.023 ( -3.571 -7.090 3.133) 8.534 8.023 ( -3.571 7.090 3.133) 8.534 8.115 ( -2.264 -5.449 -2.760) 6.514 8.115 ( -2.264 5.449 -2.760) 6.514 8.278 ( 2.993 -2.895 1.945) 4.596 8.278 ( 2.993 2.895 1.945) 4.596 8.457 ( 4.813 -3.500 -2.330) 6.391 8.457 ( 4.813 3.500 -2.330) 6.391 9.039 ( -6.402 -5.009 1.765) 8.318 9.039 ( -6.402 5.009 1.765) 8.318 9.526 ( -4.393 -8.953 4.156) 10.804 9.526 ( -4.393 8.953 4.156) 10.804 19.064 ( 0.899 -3.185 0.245) 3.319 19.064 ( 0.899 3.185 0.245) 3.319 19.376 ( 6.654 -5.807 -2.324) 9.132 19.376 ( 6.654 5.807 -2.324) 9.132 20.393 ( -3.649 -5.408 -2.238) 6.897 20.393 ( -3.649 5.408 -2.238) 6.897 20.793 ( -0.071 -6.185 -1.655) 6.403 20.793 ( -0.071 6.185 -1.655) 6.403 ======================= Grid point 159 (87/128) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 6.500 -7.506 -11.792) 15.416 1.814 ( 6.500 7.506 -11.792) 15.416 2.270 ( 15.304 -7.706 5.907) 18.125 2.270 ( 15.304 7.706 5.907) 18.125 2.583 ( 0.856 -7.716 2.486) 8.151 2.583 ( 0.856 7.716 2.486) 8.151 2.844 ( 8.811 -9.590 1.707) 13.134 2.844 ( 8.811 9.590 1.707) 13.134 2.910 ( -1.752 -2.608 8.609) 9.165 2.910 ( -1.752 2.608 8.609) 9.165 3.422 ( -3.617 -4.317 2.654) 6.226 3.422 ( -3.617 4.317 2.654) 6.226 3.512 ( -13.884 -2.891 1.233) 14.235 3.512 ( -13.884 2.891 1.233) 14.235 3.779 ( 0.515 -2.046 9.334) 9.570 3.779 ( 0.515 2.046 9.334) 9.570 4.110 ( -1.873 -2.279 3.743) 4.766 4.110 ( -1.873 2.279 3.743) 4.766 4.301 ( 7.551 -2.080 -0.599) 7.855 4.301 ( 7.551 2.080 -0.599) 7.855 4.350 ( 4.643 -5.536 -2.975) 7.814 4.350 ( 4.643 5.536 -2.975) 7.814 4.747 ( -4.097 -3.258 1.895) 5.567 4.747 ( -4.097 3.258 1.895) 5.567 4.786 ( -1.687 -1.309 -4.308) 4.808 4.786 ( -1.687 1.309 -4.308) 4.808 4.885 ( -3.129 -3.947 -8.273) 9.686 4.885 ( -3.129 3.947 -8.273) 9.686 5.173 ( -0.206 -1.625 -5.381) 5.625 5.173 ( -0.206 1.625 -5.381) 5.625 5.390 ( 3.011 -3.135 -0.498) 4.375 5.390 ( 3.011 3.135 -0.498) 4.375 5.864 ( -2.135 -3.547 2.229) 4.702 5.864 ( -2.135 3.547 2.229) 4.702 6.126 ( -4.753 -1.858 -3.696) 6.301 6.126 ( -4.753 1.858 -3.696) 6.301 6.249 ( 2.578 -5.305 -3.357) 6.786 6.249 ( 2.578 5.305 -3.357) 6.786 6.351 ( -1.111 -0.238 4.427) 4.570 6.351 ( -1.111 0.238 4.427) 4.570 6.542 ( 5.164 -3.720 -0.047) 6.365 6.542 ( 5.164 3.720 -0.047) 6.365 6.906 ( -4.434 -2.857 -3.792) 6.496 6.906 ( -4.434 2.857 -3.792) 6.496 7.188 ( -1.863 -1.895 -3.668) 4.529 7.188 ( -1.863 1.895 -3.668) 4.529 7.293 ( -1.741 -3.809 2.859) 5.071 7.293 ( -1.741 3.809 2.859) 5.071 7.692 ( -3.321 -3.740 2.172) 5.452 7.692 ( -3.321 3.740 2.172) 5.452 7.845 ( 2.047 -1.998 1.704) 3.330 7.845 ( 2.047 1.998 1.704) 3.330 7.974 ( -4.555 -2.820 2.004) 5.720 7.974 ( -4.555 2.820 2.004) 5.720 8.062 ( 1.221 -5.624 -0.505) 5.777 8.062 ( 1.221 5.624 -0.505) 5.777 8.359 ( 3.248 -2.966 2.951) 5.296 8.359 ( 3.248 2.966 2.951) 5.296 8.548 ( 4.578 -2.975 0.607) 5.493 8.548 ( 4.578 2.975 0.607) 5.493 8.942 ( -3.734 -3.585 -0.624) 5.214 8.942 ( -3.734 3.585 -0.624) 5.214 9.435 ( -7.003 -7.767 1.188) 10.525 9.435 ( -7.003 7.767 1.188) 10.525 19.089 ( 1.086 -3.746 1.081) 4.047 19.089 ( 1.086 3.746 1.081) 4.047 19.470 ( 5.088 -7.176 -3.977) 9.654 19.470 ( 5.088 7.176 -3.977) 9.654 20.322 ( -1.532 -4.737 -0.361) 4.992 20.322 ( -1.532 4.737 -0.361) 4.992 20.778 ( -1.149 -5.531 -0.570) 5.678 20.778 ( -1.149 5.531 -0.570) 5.678 ======================= Grid point 161 (88/128) ======================= q-point: (-0.56 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -2.748 -4.493 -11.447) 12.600 1.768 ( -2.748 4.493 -11.447) 12.600 2.489 ( 5.030 -13.763 -4.569) 15.349 2.489 ( 5.030 13.763 -4.569) 15.349 2.678 ( 3.660 -4.360 9.518) 11.090 2.678 ( 3.660 4.360 9.518) 11.090 2.891 ( -0.205 -5.222 3.890) 6.514 2.891 ( -0.205 5.222 3.890) 6.514 3.087 ( 5.214 -9.058 6.148) 12.126 3.087 ( 5.214 9.058 6.148) 12.126 3.207 ( -9.014 -0.825 0.504) 9.065 3.207 ( -9.014 0.825 0.504) 9.065 3.421 ( -1.011 -3.830 3.414) 5.230 3.421 ( -1.011 3.830 3.414) 5.230 3.879 ( -1.035 -5.808 11.025) 12.504 3.879 ( -1.035 5.808 11.025) 12.504 4.078 ( -4.688 -3.893 4.407) 7.520 4.078 ( -4.688 3.893 4.407) 7.520 4.414 ( 4.795 -1.279 -2.513) 5.563 4.414 ( 4.795 1.279 -2.513) 5.563 4.446 ( 6.295 -4.255 2.143) 7.894 4.446 ( 6.295 4.255 2.143) 7.894 4.693 ( -1.845 -3.925 -0.219) 4.342 4.693 ( -1.845 3.925 -0.219) 4.342 4.756 ( 1.102 -1.737 -5.788) 6.143 4.756 ( 1.102 1.737 -5.788) 6.143 4.801 ( 0.145 -2.903 -2.996) 4.174 4.801 ( 0.145 2.903 -2.996) 4.174 5.124 ( -0.256 -2.527 -6.526) 7.003 5.124 ( -0.256 2.527 -6.526) 7.003 5.456 ( 4.278 -3.305 -0.947) 5.489 5.456 ( 4.278 3.305 -0.947) 5.489 5.790 ( -6.043 -1.455 -0.548) 6.240 5.790 ( -6.043 1.455 -0.548) 6.240 5.975 ( -4.307 -4.409 -5.267) 8.107 5.975 ( -4.307 4.409 -5.267) 8.107 6.279 ( 1.943 -3.450 -2.143) 4.502 6.279 ( 1.943 3.450 -2.143) 4.502 6.422 ( 2.051 -3.383 5.369) 6.670 6.422 ( 2.051 3.383 5.369) 6.670 6.586 ( -1.453 -4.925 -1.655) 5.395 6.586 ( -1.453 4.925 -1.655) 5.395 6.794 ( -0.147 -1.413 -3.411) 3.695 6.794 ( -0.147 1.413 -3.411) 3.695 7.136 ( -1.015 -2.020 -1.478) 2.701 7.136 ( -1.015 2.020 -1.478) 2.701 7.305 ( 0.063 -3.264 -0.256) 3.275 7.305 ( 0.063 3.264 -0.256) 3.275 7.622 ( -5.095 -5.746 1.814) 7.891 7.622 ( -5.095 5.746 1.814) 7.891 7.856 ( -1.404 -3.801 -1.296) 4.254 7.856 ( -1.404 3.801 -1.296) 4.254 7.922 ( -0.653 -2.333 3.362) 4.144 7.922 ( -0.653 2.333 3.362) 4.144 8.142 ( 4.226 -2.466 1.627) 5.156 8.142 ( 4.226 2.466 1.627) 5.156 8.461 ( 4.673 -1.806 4.779) 6.924 8.461 ( 4.673 1.806 4.779) 6.924 8.621 ( 0.622 -3.280 3.853) 5.098 8.621 ( 0.622 3.280 3.853) 5.098 8.894 ( 0.498 -2.704 -3.066) 4.119 8.894 ( 0.498 2.704 -3.066) 4.119 9.285 ( -7.941 -4.736 -1.671) 9.396 9.285 ( -7.941 4.736 -1.671) 9.396 19.119 ( 0.738 -3.643 2.003) 4.223 19.119 ( 0.738 3.643 2.003) 4.223 19.498 ( 1.500 -7.666 -5.575) 9.597 19.498 ( 1.500 7.666 -5.575) 9.597 20.349 ( 2.984 -3.182 3.290) 5.463 20.349 ( 2.984 3.182 3.290) 5.463 20.735 ( -2.011 -3.701 -2.216) 4.759 20.735 ( -2.011 3.701 -2.216) 4.759 ======================= Grid point 163 (89/128) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -12.258 -0.643 -8.070) 14.690 1.540 ( -12.258 0.643 -8.070) 14.690 2.446 ( -9.191 -12.001 0.271) 15.118 2.446 ( -9.191 12.001 0.271) 15.118 2.677 ( -1.710 -4.177 -0.370) 4.529 2.677 ( -1.710 4.177 -0.370) 4.529 2.962 ( 3.462 -4.379 1.242) 5.719 2.962 ( 3.462 4.379 1.242) 5.719 3.167 ( 3.268 -3.147 11.707) 12.555 3.167 ( 3.268 3.147 11.707) 12.555 3.286 ( 7.718 -6.487 1.390) 10.177 3.286 ( 7.718 6.487 1.390) 10.177 3.454 ( 0.555 -4.189 3.855) 5.720 3.454 ( 0.555 4.189 3.855) 5.720 3.835 ( -10.336 -7.356 7.413) 14.693 3.835 ( -10.336 7.356 7.413) 14.693 4.023 ( -4.356 -4.025 5.388) 8.013 4.023 ( -4.356 4.025 5.388) 8.013 4.423 ( -0.424 -1.180 -3.557) 3.772 4.423 ( -0.424 1.180 -3.557) 3.772 4.566 ( -3.720 -2.809 3.078) 5.586 4.566 ( -3.720 2.809 3.078) 5.586 4.663 ( 2.171 -7.363 -7.790) 10.937 4.663 ( 2.171 7.363 -7.790) 10.937 4.724 ( 1.711 -5.459 0.292) 5.728 4.724 ( 1.711 5.459 0.292) 5.728 4.870 ( 7.227 -2.316 -1.246) 7.690 4.870 ( 7.227 2.316 -1.246) 7.690 5.114 ( 4.443 -2.178 -4.808) 6.899 5.114 ( 4.443 2.178 -4.808) 6.899 5.511 ( 2.883 -5.746 -1.578) 6.620 5.511 ( 2.883 5.746 -1.578) 6.620 5.688 ( -1.690 -3.640 -3.724) 5.475 5.688 ( -1.690 3.640 -3.724) 5.475 5.889 ( -1.248 -4.966 -2.983) 5.926 5.889 ( -1.248 4.966 -2.983) 5.926 6.281 ( -1.511 -3.134 -1.158) 3.667 6.281 ( -1.511 3.134 -1.158) 3.667 6.426 ( -2.402 -4.859 1.227) 5.557 6.426 ( -2.402 4.859 1.227) 5.557 6.571 ( 1.722 -3.384 0.310) 3.809 6.571 ( 1.722 3.384 0.310) 3.809 6.835 ( 3.527 -2.901 -0.568) 4.602 6.835 ( 3.527 2.901 -0.568) 4.602 7.113 ( -0.224 -0.312 -4.233) 4.250 7.113 ( -0.224 0.312 -4.233) 4.250 7.304 ( 1.267 -2.409 1.747) 3.234 7.304 ( 1.267 2.409 1.747) 3.234 7.548 ( -3.841 -4.884 2.515) 6.703 7.548 ( -3.841 4.884 2.515) 6.703 7.817 ( -0.535 -4.425 -1.504) 4.704 7.817 ( -0.535 4.425 -1.504) 4.704 7.977 ( 1.996 -2.274 4.191) 5.169 7.977 ( 1.996 2.274 4.191) 5.169 8.201 ( 1.734 -1.912 -1.433) 2.952 8.201 ( 1.734 1.912 -1.433) 2.952 8.603 ( 2.662 -0.552 3.768) 4.646 8.603 ( 2.662 0.552 3.768) 4.646 8.623 ( -0.414 -2.142 4.854) 5.322 8.623 ( -0.414 2.142 4.854) 5.322 8.921 ( 3.136 -3.350 -0.493) 4.615 8.921 ( 3.136 3.350 -0.493) 4.615 9.124 ( -5.803 -2.283 -3.260) 7.037 9.124 ( -5.803 2.283 -3.260) 7.037 19.145 ( 0.004 -2.625 2.497) 3.623 19.145 ( 0.004 2.625 2.497) 3.623 19.451 ( -1.636 -6.051 -5.634) 8.428 19.451 ( -1.636 6.051 -5.634) 8.428 20.444 ( 2.186 -4.207 3.220) 5.731 20.444 ( 2.186 4.207 3.220) 5.731 20.698 ( 1.959 -5.208 -3.059) 6.349 20.698 ( 1.959 5.208 -3.059) 6.349 ======================= Grid point 165 (90/128) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -12.809 -6.988 -3.896) 15.102 1.233 ( -12.809 6.988 -3.896) 15.102 2.197 ( -16.272 -14.129 5.216) 22.172 2.197 ( -16.272 14.129 5.216) 22.172 2.686 ( 2.673 -4.636 -4.350) 6.897 2.686 ( 2.673 4.636 -4.350) 6.897 3.056 ( 4.966 -1.617 2.013) 5.598 3.056 ( 4.966 1.617 2.013) 5.598 3.256 ( -5.662 -5.217 12.411) 14.605 3.256 ( -5.662 5.217 12.411) 14.605 3.439 ( -0.887 -2.852 2.280) 3.757 3.439 ( -0.887 2.852 2.280) 3.757 3.510 ( 10.072 -7.003 -0.493) 12.278 3.510 ( 10.072 7.003 -0.493) 12.278 3.686 ( -7.685 -6.170 7.127) 12.162 3.686 ( -7.685 6.170 7.127) 12.162 3.977 ( -4.593 -1.518 4.032) 6.297 3.977 ( -4.593 1.518 4.032) 6.297 4.324 ( -9.199 -2.311 -2.925) 9.926 4.324 ( -9.199 2.311 -2.925) 9.926 4.415 ( -5.351 -4.662 -2.521) 7.532 4.415 ( -5.351 4.662 -2.521) 7.532 4.650 ( 4.341 -1.778 -6.811) 8.270 4.650 ( 4.341 1.778 -6.811) 8.270 4.828 ( 4.032 -4.130 3.751) 6.883 4.828 ( 4.032 4.130 3.751) 6.883 4.970 ( 3.840 -5.535 -4.360) 8.024 4.970 ( 3.840 5.535 -4.360) 8.024 5.159 ( 2.865 -1.384 -6.026) 6.815 5.159 ( 2.865 1.384 -6.026) 6.815 5.579 ( -0.185 -6.212 -3.276) 7.025 5.579 ( -0.185 6.212 -3.276) 7.025 5.648 ( 3.724 -2.063 1.267) 4.442 5.648 ( 3.724 2.063 1.267) 4.442 5.934 ( 6.823 -5.214 0.173) 8.589 5.934 ( 6.823 5.214 0.173) 8.589 6.210 ( -3.396 -2.543 -0.205) 4.248 6.210 ( -3.396 2.543 -0.205) 4.248 6.413 ( -0.907 -5.872 0.764) 5.991 6.413 ( -0.907 5.872 0.764) 5.991 6.611 ( 2.769 -2.445 -1.082) 3.849 6.611 ( 2.769 2.445 -1.082) 3.849 6.865 ( 0.562 -4.844 -3.178) 5.821 6.865 ( 0.562 4.844 -3.178) 5.821 7.080 ( 0.834 -4.106 -1.760) 4.545 7.080 ( 0.834 4.106 -1.760) 4.545 7.409 ( 6.118 -0.422 2.837) 6.757 7.409 ( 6.118 0.422 2.837) 6.757 7.516 ( -2.113 -3.310 5.137) 6.466 7.516 ( -2.113 3.310 5.137) 6.466 7.825 ( 2.029 -5.275 -0.907) 5.724 7.825 ( 2.029 5.275 -0.907) 5.724 8.023 ( 0.234 -0.927 0.854) 1.282 8.023 ( 0.234 0.927 0.854) 1.282 8.205 ( 0.419 -3.662 -1.483) 3.973 8.205 ( 0.419 3.662 -1.483) 3.973 8.535 ( -4.528 -1.351 -2.087) 5.166 8.535 ( -4.528 1.351 -2.087) 5.166 8.727 ( 0.362 -3.030 3.603) 4.722 8.727 ( 0.362 3.030 3.603) 4.722 8.930 ( -0.291 -2.768 -2.629) 3.829 8.930 ( -0.291 2.768 -2.629) 3.829 9.117 ( 4.881 -3.026 5.934) 8.258 9.117 ( 4.881 3.026 5.934) 8.258 19.152 ( -1.315 -1.611 2.149) 2.991 19.152 ( -1.315 1.611 2.149) 2.991 19.362 ( -3.187 -3.620 -4.545) 6.627 19.362 ( -3.187 3.620 -4.545) 6.627 20.427 ( -3.476 -4.161 -1.228) 5.560 20.427 ( -3.476 4.161 -1.228) 5.560 20.802 ( 8.985 -5.623 -1.508) 10.706 20.802 ( 8.985 5.623 -1.508) 10.706 ======================= Grid point 167 (91/128) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.059 ( -2.599 -16.530 0.594) 16.743 1.059 ( -2.599 16.530 0.594) 16.743 1.933 ( -15.036 -18.406 6.159) 24.552 1.933 ( -15.036 18.406 6.159) 24.552 2.687 ( 1.042 -4.261 -5.330) 6.903 2.687 ( 1.042 4.261 -5.330) 6.903 3.104 ( -10.000 -6.450 2.361) 12.132 3.104 ( -10.000 6.450 2.361) 12.132 3.140 ( -4.044 -3.868 3.131) 6.413 3.140 ( -4.044 3.868 3.131) 6.413 3.390 ( -6.904 -7.944 7.134) 12.715 3.390 ( -6.904 7.944 7.134) 12.715 3.656 ( 1.134 -7.268 4.138) 8.440 3.656 ( 1.134 7.268 4.138) 8.440 3.730 ( 4.412 -3.268 4.130) 6.870 3.730 ( 4.412 3.268 4.130) 6.870 3.921 ( 1.153 -3.006 -1.816) 3.696 3.921 ( 1.153 3.006 -1.816) 3.696 4.167 ( -3.275 -6.763 3.925) 8.477 4.167 ( -3.275 6.763 3.925) 8.477 4.346 ( 0.430 -2.347 -4.687) 5.260 4.346 ( 0.430 2.347 -4.687) 5.260 4.720 ( 4.914 -0.968 -1.822) 5.329 4.720 ( 4.914 0.968 -1.822) 5.329 4.892 ( 0.951 -3.462 -2.069) 4.144 4.892 ( 0.951 3.462 -2.069) 4.144 4.975 ( 1.270 -3.446 -3.096) 4.804 4.975 ( 1.270 3.446 -3.096) 4.804 5.124 ( -1.392 -4.567 -4.074) 6.276 5.124 ( -1.392 4.567 -4.074) 6.276 5.529 ( 0.416 -4.573 -4.416) 6.371 5.529 ( 0.416 4.573 -4.416) 6.371 5.742 ( 2.372 -3.391 1.725) 4.484 5.742 ( 2.372 3.391 1.725) 4.484 6.006 ( -2.349 -3.870 1.759) 4.857 6.006 ( -2.349 3.870 1.759) 4.857 6.246 ( 5.854 -2.076 -0.414) 6.225 6.246 ( 5.854 2.076 -0.414) 6.225 6.374 ( -2.832 -3.049 0.193) 4.166 6.374 ( -2.832 3.049 0.193) 4.166 6.674 ( 5.285 -6.138 -3.070) 8.662 6.674 ( 5.285 6.138 -3.070) 8.662 6.876 ( 4.468 -8.002 -1.071) 9.227 6.876 ( 4.468 8.002 -1.071) 9.227 7.110 ( 2.048 -6.821 -0.182) 7.124 7.110 ( 2.048 6.821 -0.182) 7.124 7.469 ( -0.739 -2.872 1.037) 3.141 7.469 ( -0.739 2.872 1.037) 3.141 7.591 ( 3.032 -2.411 6.242) 7.346 7.591 ( 3.032 2.411 6.242) 7.346 7.861 ( 2.496 -2.405 -1.762) 3.889 7.861 ( 2.496 2.405 -1.762) 3.889 8.021 ( 0.273 -2.791 0.246) 2.815 8.021 ( 0.273 2.791 0.246) 2.815 8.192 ( -1.496 -4.750 -1.118) 5.104 8.192 ( -1.496 4.750 -1.118) 5.104 8.424 ( -4.098 -1.625 -3.759) 5.794 8.424 ( -4.098 1.625 -3.759) 5.794 8.662 ( -4.589 -4.378 -3.758) 7.372 8.662 ( -4.589 4.378 -3.758) 7.372 8.975 ( 4.180 -0.768 1.676) 4.568 8.975 ( 4.180 0.768 1.676) 4.568 9.300 ( 5.856 -5.292 10.697) 13.293 9.300 ( 5.856 5.292 10.697) 13.293 19.115 ( -3.654 -5.365 0.506) 6.510 19.115 ( -3.654 5.365 0.506) 6.510 19.279 ( -2.260 -5.560 -2.296) 6.426 19.279 ( -2.260 5.560 -2.296) 6.426 20.349 ( -2.707 -3.548 -1.286) 4.645 20.349 ( -2.707 3.548 -1.286) 4.645 20.955 ( 8.102 -4.233 -4.508) 10.192 20.955 ( 8.102 4.233 -4.508) 10.192 ======================= Grid point 169 (92/128) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 7.518 -20.091 2.686) 21.620 1.135 ( 7.518 20.091 2.686) 21.620 1.740 ( -9.176 -20.703 7.177) 23.756 1.740 ( -9.176 20.703 7.177) 23.756 2.638 ( -2.634 -5.450 -5.697) 8.312 2.638 ( -2.634 5.450 -5.697) 8.312 2.843 ( -11.931 -6.425 -5.290) 14.547 2.843 ( -11.931 6.425 -5.290) 14.547 3.066 ( -6.682 -12.619 4.825) 15.072 3.066 ( -6.682 12.619 4.825) 15.072 3.317 ( -5.478 -4.394 6.679) 9.692 3.317 ( -5.478 4.394 6.679) 9.692 3.661 ( -4.269 -4.065 5.778) 8.255 3.661 ( -4.269 4.065 5.778) 8.255 3.761 ( 0.760 -3.488 1.488) 3.868 3.761 ( 0.760 3.488 1.488) 3.868 4.032 ( 4.767 -3.294 1.068) 5.892 4.032 ( 4.767 3.294 1.068) 5.892 4.273 ( 7.636 -1.796 1.732) 8.033 4.273 ( 7.636 1.796 1.732) 8.033 4.371 ( 6.408 -3.216 -1.868) 7.409 4.371 ( 6.408 3.216 -1.868) 7.409 4.741 ( -2.596 -3.565 -0.274) 4.418 4.741 ( -2.596 3.565 -0.274) 4.418 4.855 ( -1.768 -4.587 -0.861) 4.991 4.855 ( -1.768 4.587 -0.861) 4.991 4.998 ( 3.092 -4.567 -2.356) 5.997 4.998 ( 3.092 4.567 -2.356) 5.997 5.118 ( 3.331 -9.429 0.333) 10.006 5.118 ( 3.331 9.429 0.333) 10.006 5.523 ( 1.319 -3.683 -2.782) 4.801 5.523 ( 1.319 3.683 -2.782) 4.801 5.765 ( -0.156 -2.156 -1.426) 2.590 5.765 ( -0.156 2.156 -1.426) 2.590 5.954 ( -2.315 -1.684 -1.210) 3.108 5.954 ( -2.315 1.684 -1.210) 3.108 6.218 ( -5.257 -6.790 0.023) 8.588 6.218 ( -5.257 6.790 0.023) 8.588 6.399 ( 2.869 -5.088 -0.904) 5.911 6.399 ( 2.869 5.088 -0.904) 5.911 6.748 ( 4.353 -5.175 -3.540) 7.633 6.748 ( 4.353 5.175 -3.540) 7.633 7.021 ( 7.332 -10.595 1.328) 12.953 7.021 ( 7.332 10.595 1.328) 12.953 7.131 ( 1.219 -7.622 -1.563) 7.875 7.131 ( 1.219 7.622 -1.563) 7.875 7.451 ( -1.922 -1.781 1.851) 3.208 7.451 ( -1.922 1.781 1.851) 3.208 7.646 ( 0.469 -1.707 1.239) 2.160 7.646 ( 0.469 1.707 1.239) 2.160 7.913 ( 3.119 -0.888 0.478) 3.278 7.913 ( 3.119 0.888 0.478) 3.278 8.034 ( -0.176 -2.850 1.298) 3.137 8.034 ( -0.176 2.850 1.298) 3.137 8.117 ( -4.177 -3.764 -2.376) 6.105 8.117 ( -4.177 3.764 -2.376) 6.105 8.340 ( -2.186 -3.020 -2.412) 4.440 8.340 ( -2.186 3.020 -2.412) 4.440 8.550 ( -2.627 -2.604 -6.395) 7.387 8.550 ( -2.627 2.604 -6.395) 7.387 9.081 ( 3.927 -3.155 4.582) 6.810 9.081 ( 3.927 3.155 4.582) 6.810 9.462 ( 2.106 -7.282 9.830) 12.414 9.462 ( 2.106 7.282 9.830) 12.414 19.045 ( -2.855 -5.631 0.437) 6.329 19.045 ( -2.855 5.631 0.437) 6.329 19.237 ( -0.973 -6.744 -1.484) 6.974 19.237 ( -0.973 6.744 -1.484) 6.974 20.325 ( 0.488 -3.069 1.339) 3.383 20.325 ( 0.488 3.069 1.339) 3.383 21.019 ( 3.531 -2.107 -8.875) 9.781 21.019 ( 3.531 2.107 -8.875) 9.781 ======================= Grid point 189 (93/128) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 1.958 0.000 16.293) 16.410 1.424 ( 7.708 0.000 8.793) 11.693 1.886 ( -8.672 0.000 -1.933) 8.885 2.069 ( 0.940 0.000 -11.961) 11.998 2.526 ( 0.962 0.000 -1.099) 1.461 2.537 ( 0.599 0.000 -1.266) 1.401 2.793 ( -0.812 0.000 27.308) 27.320 2.984 ( 3.644 0.000 2.492) 4.415 3.141 ( -6.683 0.000 2.338) 7.080 3.223 ( -1.798 0.000 12.689) 12.816 3.345 ( -1.824 0.000 -0.034) 1.824 3.354 ( 1.230 0.000 0.684) 1.407 3.534 ( 0.383 0.000 -12.258) 12.264 3.557 ( 4.060 0.000 -13.544) 14.140 3.644 ( -10.688 0.000 1.350) 10.773 3.784 ( 4.931 0.000 -6.668) 8.293 3.850 ( 0.906 0.000 -4.069) 4.169 3.907 ( -0.193 0.000 -6.040) 6.043 4.140 ( -4.198 0.000 3.757) 5.633 4.145 ( 2.589 0.000 1.226) 2.865 4.328 ( -8.400 0.000 1.971) 8.628 4.407 ( 4.812 0.000 -3.328) 5.851 4.590 ( -8.417 0.000 3.717) 9.201 4.687 ( 10.710 0.000 -5.814) 12.187 4.869 ( -4.093 0.000 2.335) 4.712 4.919 ( 4.727 0.000 -1.463) 4.948 5.120 ( -2.585 0.000 3.562) 4.401 5.133 ( 3.797 0.000 0.156) 3.800 5.363 ( 3.329 0.000 3.903) 5.130 5.393 ( 4.686 0.000 3.700) 5.971 5.502 ( -3.442 0.000 -0.980) 3.578 5.521 ( 3.653 0.000 -1.141) 3.827 5.658 ( -1.904 0.000 9.989) 10.168 5.709 ( -10.023 0.000 0.300) 10.027 5.806 ( 7.728 0.000 -6.886) 10.351 5.912 ( 1.790 0.000 -13.206) 13.327 6.259 ( 2.394 0.000 10.172) 10.450 6.309 ( 1.634 0.000 4.249) 4.552 6.409 ( -0.811 0.000 0.248) 0.848 6.451 ( 1.680 0.000 -0.851) 1.883 6.594 ( 1.481 0.000 0.452) 1.549 6.660 ( -5.210 0.000 -8.097) 9.629 6.873 ( -0.044 0.000 5.098) 5.098 6.940 ( -2.055 0.000 -3.509) 4.067 7.160 ( 2.260 0.000 -1.317) 2.616 7.165 ( -2.741 0.000 -3.004) 4.067 7.404 ( 4.327 0.000 -0.262) 4.334 7.441 ( -1.984 0.000 -2.487) 3.182 7.705 ( -2.724 0.000 3.737) 4.624 7.755 ( 0.882 0.000 -1.384) 1.642 7.802 ( -1.212 0.000 2.697) 2.957 7.840 ( 6.556 0.000 -0.261) 6.561 7.952 ( -1.037 0.000 -0.724) 1.265 7.975 ( 0.026 0.000 -1.094) 1.094 8.153 ( -5.148 0.000 -0.481) 5.171 8.180 ( 3.082 0.000 -1.999) 3.673 8.330 ( -4.462 0.000 -0.488) 4.488 8.355 ( 2.141 0.000 -2.559) 3.336 8.526 ( -2.503 0.000 9.345) 9.675 8.691 ( 2.780 0.000 -7.223) 7.739 8.755 ( 0.632 0.000 7.659) 7.685 8.887 ( -2.284 0.000 -4.904) 5.410 9.958 ( 8.143 0.000 10.639) 13.398 10.148 ( -10.031 0.000 -8.373) 13.067 18.878 ( 1.338 0.000 2.101) 2.491 18.921 ( -1.332 0.000 -2.211) 2.581 19.309 ( -1.853 0.000 3.835) 4.259 19.393 ( 2.500 0.000 -4.436) 5.091 20.297 ( 6.479 0.000 0.631) 6.510 20.312 ( -5.584 0.000 -0.803) 5.642 20.634 ( 8.735 0.000 5.600) 10.376 20.748 ( -5.960 0.000 -5.732) 8.269 ======================= Grid point 190 (94/128) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -0.429 0.000 -1.613) 1.669 1.545 ( 7.841 0.000 -13.081) 15.251 1.883 ( 1.418 0.000 16.393) 16.455 2.103 ( 9.484 0.000 -2.075) 9.708 2.543 ( 1.187 0.000 -1.642) 2.026 2.566 ( 4.807 0.000 -2.146) 5.264 2.911 ( -1.303 0.000 7.970) 8.076 3.068 ( 4.682 0.000 -3.833) 6.051 3.245 ( 5.803 0.000 23.016) 23.736 3.285 ( 0.535 0.000 6.600) 6.622 3.349 ( 2.452 0.000 0.846) 2.594 3.364 ( -0.250 0.000 -0.953) 0.986 3.417 ( -5.584 0.000 -6.382) 8.480 3.504 ( -3.284 0.000 3.933) 5.124 3.538 ( 5.048 0.000 -14.016) 14.897 3.742 ( -1.429 0.000 -3.319) 3.613 3.933 ( 5.942 0.000 4.462) 7.431 3.958 ( 3.503 0.000 -2.819) 4.497 4.076 ( -9.821 0.000 10.636) 14.477 4.168 ( -3.374 0.000 -4.666) 5.758 4.225 ( 5.272 0.000 -0.479) 5.294 4.425 ( -0.433 0.000 0.165) 0.463 4.443 ( -7.932 0.000 3.790) 8.791 4.797 ( 5.102 0.000 -6.219) 8.044 4.848 ( -0.522 0.000 2.695) 2.745 4.994 ( 1.123 0.000 -4.376) 4.517 5.113 ( 1.493 0.000 -2.303) 2.744 5.207 ( 3.070 0.000 4.141) 5.155 5.364 ( -4.290 0.000 -10.302) 11.160 5.376 ( -9.804 0.000 -0.603) 9.823 5.387 ( -1.783 0.000 -2.654) 3.197 5.444 ( -7.293 0.000 1.237) 7.397 5.612 ( -2.089 0.000 4.558) 5.014 5.665 ( -6.719 0.000 9.943) 12.000 5.801 ( 0.660 0.000 -11.002) 11.021 5.923 ( 7.858 0.000 -3.376) 8.553 6.289 ( -3.268 0.000 -0.774) 3.359 6.333 ( -0.533 0.000 -5.784) 5.809 6.464 ( 0.776 0.000 -2.286) 2.414 6.503 ( 6.177 0.000 3.778) 7.240 6.628 ( 5.864 0.000 -1.050) 5.958 6.664 ( 3.317 0.000 3.948) 5.157 6.896 ( -1.437 0.000 -0.818) 1.654 6.932 ( 3.622 0.000 4.034) 5.421 7.127 ( -0.491 0.000 0.255) 0.553 7.191 ( 0.060 0.000 -0.449) 0.453 7.372 ( -0.165 0.000 -2.568) 2.574 7.457 ( 0.030 0.000 -1.773) 1.773 7.692 ( -1.110 0.000 3.613) 3.780 7.704 ( -6.867 0.000 -0.186) 6.870 7.773 ( -0.640 0.000 -1.312) 1.460 7.878 ( -0.879 0.000 -3.800) 3.900 7.945 ( -1.118 0.000 -0.101) 1.122 7.945 ( 0.505 0.000 -0.196) 0.542 8.103 ( -0.450 0.000 3.740) 3.767 8.233 ( 0.985 0.000 -2.323) 2.524 8.285 ( 0.455 0.000 5.030) 5.051 8.425 ( 5.309 0.000 -0.795) 5.368 8.550 ( -1.735 0.000 8.213) 8.394 8.685 ( 2.083 0.000 -8.040) 8.305 8.799 ( -2.121 0.000 -4.480) 4.957 8.821 ( -0.665 0.000 8.074) 8.101 9.816 ( -16.986 0.000 -5.816) 17.954 10.101 ( -2.058 0.000 9.351) 9.575 18.897 ( 0.546 0.000 -2.097) 2.167 18.934 ( 2.580 0.000 1.923) 3.218 19.306 ( -1.434 0.000 3.538) 3.817 19.411 ( 2.834 0.000 -4.919) 5.677 20.213 ( -3.083 0.000 -0.971) 3.233 20.424 ( 6.094 0.000 0.164) 6.096 20.595 ( -4.381 0.000 -6.006) 7.434 20.840 ( 8.429 0.000 0.841) 8.471 ======================= Grid point 191 (95/128) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 1.785 0.000 -11.350) 11.489 1.656 ( 14.795 0.000 -12.105) 19.116 2.038 ( 0.288 0.000 14.335) 14.338 2.330 ( 10.150 0.000 4.596) 11.143 2.569 ( 1.208 0.000 1.687) 2.074 2.684 ( 9.150 0.000 -1.756) 9.317 2.993 ( 3.745 0.000 9.041) 9.786 3.101 ( 7.032 0.000 -19.870) 21.077 3.208 ( -8.668 0.000 -2.921) 9.147 3.280 ( -5.034 0.000 8.284) 9.694 3.330 ( -1.677 0.000 6.443) 6.657 3.473 ( 6.330 0.000 3.489) 7.228 3.484 ( 4.772 0.000 -12.933) 13.785 3.539 ( 2.535 0.000 6.050) 6.560 3.603 ( -3.982 0.000 1.908) 4.415 3.735 ( 2.479 0.000 16.480) 16.665 3.903 ( -2.031 0.000 7.493) 7.764 4.057 ( 3.177 0.000 -0.660) 3.245 4.085 ( 4.382 0.000 6.177) 7.574 4.153 ( 2.919 0.000 -1.674) 3.365 4.283 ( 0.538 0.000 -4.114) 4.149 4.385 ( -0.924 0.000 2.615) 2.773 4.485 ( 7.569 0.000 1.105) 7.649 4.792 ( -1.174 0.000 -5.084) 5.218 4.843 ( -9.353 0.000 -3.482) 9.980 4.854 ( -2.523 0.000 4.390) 5.064 5.116 ( 1.622 0.000 -8.639) 8.790 5.126 ( -10.018 0.000 -2.411) 10.304 5.263 ( -6.091 0.000 -4.743) 7.720 5.264 ( -3.514 0.000 -4.724) 5.887 5.293 ( 2.496 0.000 -1.997) 3.197 5.370 ( -4.901 0.000 7.014) 8.557 5.512 ( -2.157 0.000 -3.667) 4.254 5.591 ( -7.406 0.000 8.690) 11.418 5.879 ( 9.031 0.000 -4.386) 10.040 6.032 ( 4.865 0.000 -2.985) 5.708 6.163 ( -6.622 0.000 -5.457) 8.581 6.238 ( -1.778 0.000 -8.502) 8.686 6.518 ( 2.255 0.000 4.530) 5.060 6.567 ( -3.570 0.000 8.539) 9.256 6.704 ( 4.716 0.000 -7.164) 8.578 6.760 ( 3.406 0.000 -5.278) 6.281 6.853 ( -0.358 0.000 -5.788) 5.799 7.002 ( 1.059 0.000 5.724) 5.821 7.158 ( -3.466 0.000 4.308) 5.529 7.189 ( 2.817 0.000 2.478) 3.752 7.378 ( -3.566 0.000 -1.909) 4.045 7.394 ( -0.172 0.000 1.111) 1.125 7.532 ( -7.349 0.000 0.030) 7.349 7.747 ( 4.081 0.000 1.490) 4.344 7.808 ( 3.149 0.000 -0.724) 3.231 7.815 ( -3.337 0.000 3.306) 4.697 7.943 ( 1.767 0.000 -5.456) 5.735 7.949 ( 0.015 0.000 4.036) 4.036 8.159 ( 2.761 0.000 3.908) 4.786 8.217 ( -0.557 0.000 1.374) 1.483 8.362 ( 2.564 0.000 2.566) 3.628 8.477 ( 0.447 0.000 -4.651) 4.673 8.583 ( -1.205 0.000 7.838) 7.930 8.684 ( 4.198 0.000 -2.524) 4.899 8.755 ( 0.535 0.000 -4.668) 4.698 8.838 ( -3.231 0.000 6.229) 7.017 9.449 ( -16.307 0.000 -4.104) 16.815 10.010 ( -11.997 0.000 3.530) 12.506 18.910 ( 2.112 0.000 -1.502) 2.592 18.991 ( 1.926 0.000 0.815) 2.091 19.304 ( -1.450 0.000 3.095) 3.418 19.422 ( 2.259 0.000 -5.249) 5.714 20.202 ( 1.575 0.000 1.933) 2.494 20.513 ( -0.714 0.000 -1.894) 2.024 20.532 ( 5.386 0.000 -1.075) 5.492 20.940 ( 2.594 0.000 -2.639) 3.700 ======================= Grid point 192 (96/128) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 11.220 0.000 -7.786) 13.657 1.934 ( 20.300 0.000 -5.309) 20.983 2.092 ( -2.619 0.000 6.510) 7.017 2.515 ( 8.052 0.000 -0.906) 8.103 2.549 ( -8.543 0.000 7.512) 11.376 2.810 ( -0.657 0.000 -2.934) 3.007 3.045 ( -0.271 0.000 -10.814) 10.817 3.098 ( -4.656 0.000 9.401) 10.491 3.125 ( 2.594 0.000 4.605) 5.285 3.292 ( -4.488 0.000 10.742) 11.642 3.364 ( -5.937 0.000 4.724) 7.587 3.380 ( 9.529 0.000 -5.055) 10.787 3.508 ( 5.472 0.000 -12.011) 13.199 3.602 ( 3.953 0.000 -0.334) 3.967 3.706 ( 7.754 0.000 10.732) 13.240 3.876 ( 0.801 0.000 7.413) 7.456 3.983 ( -0.198 0.000 2.922) 2.929 4.133 ( 0.907 0.000 3.119) 3.248 4.174 ( 0.397 0.000 3.602) 3.624 4.254 ( 3.125 0.000 -4.538) 5.510 4.257 ( 9.111 0.000 -4.135) 10.006 4.443 ( 3.630 0.000 3.030) 4.728 4.511 ( -6.289 0.000 -4.540) 7.756 4.700 ( -1.005 0.000 -1.519) 1.821 4.780 ( -2.892 0.000 0.975) 3.052 4.841 ( -0.622 0.000 8.601) 8.623 4.958 ( -10.267 0.000 -1.695) 10.406 5.020 ( -5.881 0.000 -6.227) 8.565 5.078 ( 1.528 0.000 -3.384) 3.713 5.217 ( 2.056 0.000 -6.345) 6.670 5.280 ( 0.473 0.000 -5.366) 5.387 5.364 ( -1.851 0.000 8.189) 8.395 5.531 ( 2.429 0.000 -1.642) 2.932 5.531 ( -5.274 0.000 8.655) 10.135 5.930 ( -9.432 0.000 -5.885) 11.117 5.967 ( 3.063 0.000 -6.941) 7.586 6.077 ( -0.296 0.000 -4.449) 4.459 6.165 ( -0.220 0.000 -3.444) 3.451 6.556 ( -3.214 0.000 7.120) 7.812 6.586 ( 2.244 0.000 0.041) 2.245 6.689 ( -2.236 0.000 -6.281) 6.667 6.719 ( 2.505 0.000 -5.363) 5.920 6.818 ( 1.744 0.000 -6.513) 6.743 7.098 ( 1.186 0.000 7.744) 7.834 7.117 ( -5.888 0.000 -5.411) 7.996 7.158 ( -0.045 0.000 5.845) 5.845 7.329 ( -6.319 0.000 0.515) 6.340 7.387 ( 0.812 0.000 3.354) 3.451 7.483 ( 0.148 0.000 3.366) 3.369 7.758 ( -1.509 0.000 2.274) 2.729 7.835 ( -0.640 0.000 -0.979) 1.170 7.844 ( 1.896 0.000 -1.976) 2.739 7.992 ( 5.219 0.000 0.667) 5.262 8.010 ( 2.481 0.000 4.125) 4.814 8.244 ( 2.118 0.000 1.614) 2.663 8.273 ( 5.644 0.000 5.055) 7.577 8.406 ( -2.130 0.000 -5.556) 5.950 8.415 ( 2.149 0.000 1.056) 2.394 8.620 ( -0.821 0.000 7.008) 7.056 8.729 ( 0.472 0.000 -4.755) 4.778 8.782 ( 4.157 0.000 1.421) 4.393 8.794 ( -4.932 0.000 3.484) 6.038 9.150 ( -10.695 0.000 -3.575) 11.277 9.729 ( -16.092 0.000 -2.910) 16.353 18.949 ( 2.633 0.000 -0.694) 2.723 19.019 ( 0.800 0.000 -0.104) 0.807 19.298 ( -1.408 0.000 2.639) 2.992 19.416 ( 1.275 0.000 -5.411) 5.560 20.285 ( 3.853 0.000 4.817) 6.168 20.534 ( 1.605 0.000 3.961) 4.274 20.612 ( 4.410 0.000 -3.309) 5.513 20.913 ( -2.091 0.000 -4.417) 4.887 ======================= Grid point 193 (97/128) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 15.683 0.000 -0.444) 15.689 1.987 ( -10.595 0.000 -3.933) 11.302 2.338 ( 18.834 0.000 2.839) 19.047 2.421 ( -6.425 0.000 12.080) 13.683 2.638 ( 4.049 0.000 -3.441) 5.314 2.711 ( -4.440 0.000 -1.954) 4.851 2.814 ( -15.056 0.000 0.416) 15.062 2.913 ( -6.841 0.000 -4.203) 8.030 3.260 ( -7.932 0.000 12.050) 14.427 3.353 ( 10.935 0.000 0.677) 10.956 3.448 ( 1.473 0.000 5.238) 5.441 3.565 ( 7.124 0.000 -4.613) 8.488 3.583 ( 5.046 0.000 2.437) 5.604 3.650 ( 9.024 0.000 -7.999) 12.059 3.877 ( -5.506 0.000 4.055) 6.838 3.921 ( 6.963 0.000 4.188) 8.126 3.966 ( -2.329 0.000 5.916) 6.358 4.160 ( 3.330 0.000 2.618) 4.236 4.165 ( -2.918 0.000 -1.106) 3.121 4.345 ( -4.564 0.000 1.275) 4.739 4.386 ( 9.306 0.000 -3.259) 9.860 4.392 ( 5.991 0.000 -2.117) 6.354 4.497 ( 4.744 0.000 -3.512) 5.902 4.551 ( -14.353 0.000 -1.649) 14.447 4.641 ( -5.405 0.000 -4.249) 6.875 4.782 ( -12.776 0.000 -6.374) 14.277 4.863 ( 3.213 0.000 0.846) 3.322 4.956 ( 0.455 0.000 7.142) 7.157 5.195 ( 1.691 0.000 1.383) 2.184 5.232 ( 1.675 0.000 -1.532) 2.271 5.329 ( 10.066 0.000 2.307) 10.327 5.370 ( -2.704 0.000 2.981) 4.025 5.523 ( -0.645 0.000 -5.200) 5.240 5.547 ( -0.709 0.000 9.776) 9.801 5.723 ( -5.657 0.000 -5.683) 8.019 5.902 ( -2.250 0.000 -9.027) 9.303 6.027 ( -0.022 0.000 -1.719) 1.719 6.149 ( -0.267 0.000 -4.062) 4.071 6.556 ( -1.061 0.000 3.040) 3.220 6.598 ( 1.752 0.000 -4.373) 4.711 6.659 ( 1.362 0.000 -0.144) 1.370 6.727 ( -1.262 0.000 0.304) 1.298 6.818 ( 3.264 0.000 -3.921) 5.101 6.942 ( -7.040 0.000 -3.859) 8.028 7.159 ( -0.168 0.000 4.792) 4.795 7.227 ( -2.433 0.000 -0.654) 2.520 7.244 ( 3.785 0.000 5.361) 6.563 7.402 ( -0.580 0.000 -0.950) 1.113 7.528 ( 1.564 0.000 3.489) 3.824 7.707 ( -3.697 0.000 -3.394) 5.019 7.832 ( 0.165 0.000 3.039) 3.044 7.872 ( 1.708 0.000 0.419) 1.759 8.058 ( -0.536 0.000 3.707) 3.746 8.084 ( 2.964 0.000 1.030) 3.138 8.293 ( 2.592 0.000 -3.057) 4.008 8.298 ( -4.183 0.000 -1.307) 4.382 8.478 ( 8.971 0.000 4.182) 9.898 8.485 ( 1.848 0.000 6.247) 6.515 8.668 ( 0.236 0.000 4.967) 4.973 8.703 ( 1.307 0.000 -6.575) 6.703 8.711 ( -2.901 0.000 -1.480) 3.256 8.778 ( -6.510 0.000 2.414) 6.944 9.068 ( 4.699 0.000 -0.010) 4.699 9.388 ( -14.991 0.000 -5.458) 15.954 18.993 ( 2.004 0.000 -0.098) 2.006 19.022 ( -0.366 0.000 -0.355) 0.510 19.293 ( -1.145 0.000 2.867) 3.088 19.393 ( 0.686 0.000 -5.301) 5.345 20.409 ( 4.068 0.000 6.225) 7.436 20.610 ( 1.820 0.000 6.532) 6.781 20.631 ( 0.174 0.000 -5.605) 5.607 20.827 ( -1.461 0.000 -6.091) 6.264 ======================= Grid point 194 (98/128) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( -19.682 0.000 -3.369) 19.969 1.873 ( 6.992 0.000 7.213) 10.046 2.363 ( -20.222 0.000 0.482) 20.228 2.410 ( -2.995 0.000 12.607) 12.958 2.675 ( 8.497 0.000 -11.839) 14.573 2.682 ( -0.151 0.000 5.951) 5.953 2.831 ( 1.351 0.000 1.151) 1.774 2.886 ( 19.295 0.000 -6.528) 20.370 3.164 ( -11.810 0.000 13.899) 18.239 3.451 ( -7.349 0.000 3.820) 8.282 3.476 ( -1.915 0.000 4.953) 5.310 3.527 ( 1.758 0.000 -5.273) 5.559 3.530 ( -4.300 0.000 -5.046) 6.630 3.778 ( 2.018 0.000 -7.897) 8.151 3.950 ( -2.038 0.000 6.354) 6.673 3.981 ( -1.897 0.000 -4.761) 5.126 3.999 ( 7.597 0.000 7.184) 10.456 4.067 ( 0.498 0.000 -4.372) 4.401 4.227 ( -3.437 0.000 -1.749) 3.856 4.292 ( 5.202 0.000 3.446) 6.239 4.391 ( -2.504 0.000 -1.118) 2.743 4.431 ( -8.125 0.000 0.060) 8.125 4.435 ( -14.287 0.000 -1.946) 14.419 4.513 ( 9.058 0.000 0.409) 9.067 4.635 ( 8.384 0.000 -4.928) 9.725 4.680 ( 13.826 0.000 2.445) 14.040 4.913 ( -5.861 0.000 -0.272) 5.867 4.988 ( 4.699 0.000 3.782) 6.032 5.193 ( -3.466 0.000 0.777) 3.552 5.205 ( -1.726 0.000 0.587) 1.823 5.385 ( -2.748 0.000 3.047) 4.103 5.421 ( -8.427 0.000 -0.394) 8.436 5.457 ( 1.121 0.000 -6.772) 6.864 5.584 ( 9.953 0.000 7.200) 12.284 5.776 ( -1.443 0.000 -11.517) 11.607 5.781 ( 7.213 0.000 1.404) 7.348 6.073 ( 2.847 0.000 3.052) 4.174 6.077 ( -2.386 0.000 -5.689) 6.169 6.540 ( -2.152 0.000 1.312) 2.521 6.616 ( 3.127 0.000 -3.278) 4.530 6.668 ( -3.383 0.000 -0.810) 3.479 6.701 ( -0.025 0.000 3.744) 3.744 6.807 ( -3.968 0.000 -3.513) 5.300 6.900 ( 6.184 0.000 0.293) 6.191 7.199 ( 2.902 0.000 2.588) 3.889 7.227 ( 2.389 0.000 -1.677) 2.918 7.353 ( -1.589 0.000 -5.267) 5.501 7.357 ( 3.639 0.000 3.146) 4.810 7.602 ( -3.499 0.000 -3.714) 5.103 7.606 ( 3.108 0.000 5.377) 6.211 7.843 ( -2.331 0.000 3.158) 3.925 7.897 ( 0.689 0.000 -2.041) 2.154 8.051 ( -2.342 0.000 3.744) 4.416 8.120 ( 0.078 0.000 -1.535) 1.537 8.217 ( -3.772 0.000 2.718) 4.649 8.306 ( 1.398 0.000 -2.041) 2.474 8.540 ( -5.031 0.000 2.480) 5.609 8.573 ( -2.519 0.000 2.177) 3.329 8.608 ( -4.176 0.000 -3.213) 5.269 8.680 ( 6.259 0.000 0.288) 6.265 8.729 ( 2.586 0.000 -1.583) 3.032 8.814 ( 8.942 0.000 -0.286) 8.946 9.095 ( -11.301 0.000 -3.221) 11.751 9.257 ( 11.286 0.000 6.782) 13.167 18.996 ( -2.042 0.000 -0.436) 2.088 19.019 ( 0.659 0.000 0.003) 0.659 19.301 ( -0.699 0.000 3.735) 3.800 19.369 ( 1.044 0.000 -4.726) 4.840 20.508 ( 0.563 0.000 6.527) 6.551 20.530 ( -4.997 0.000 -5.767) 7.630 20.710 ( 4.007 0.000 5.499) 6.804 20.773 ( 0.862 0.000 -9.466) 9.505 ======================= Grid point 195 (99/128) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -16.062 0.000 1.662) 16.148 1.807 ( -21.328 0.000 8.959) 23.133 2.165 ( 2.301 0.000 -2.067) 3.093 2.394 ( -6.471 0.000 8.363) 10.575 2.708 ( -14.526 0.000 10.992) 18.216 2.742 ( 4.825 0.000 3.834) 6.162 2.772 ( 5.194 0.000 -9.130) 10.504 3.019 ( -13.380 0.000 12.996) 18.653 3.269 ( 11.801 0.000 -5.275) 12.926 3.295 ( -6.357 0.000 3.569) 7.290 3.378 ( -0.490 0.000 -0.241) 0.546 3.548 ( 7.451 0.000 -8.662) 11.426 3.569 ( -7.852 0.000 -12.265) 14.564 3.590 ( 3.149 0.000 1.546) 3.508 3.891 ( -3.158 0.000 -6.351) 7.093 3.950 ( -1.558 0.000 1.229) 1.985 4.016 ( -5.995 0.000 -1.773) 6.252 4.160 ( -2.340 0.000 4.492) 5.064 4.198 ( -1.645 0.000 1.481) 2.213 4.218 ( 3.060 0.000 -3.710) 4.809 4.265 ( -1.820 0.000 -5.581) 5.870 4.416 ( 4.070 0.000 4.993) 6.442 4.445 ( 2.179 0.000 2.208) 3.102 4.663 ( -1.176 0.000 0.349) 1.227 4.795 ( 8.323 0.000 -0.552) 8.341 4.850 ( 4.861 0.000 5.050) 7.009 4.899 ( 3.625 0.000 2.351) 4.321 5.067 ( 5.172 0.000 -5.902) 7.847 5.088 ( -7.863 0.000 2.363) 8.210 5.145 ( -9.043 0.000 0.458) 9.055 5.187 ( -0.489 0.000 -1.766) 1.832 5.439 ( -1.479 0.000 6.091) 6.268 5.489 ( 3.740 0.000 -4.976) 6.225 5.713 ( 5.584 0.000 -7.914) 9.686 5.823 ( 7.616 0.000 4.552) 8.873 5.883 ( 2.082 0.000 0.244) 2.096 6.029 ( 1.124 0.000 -1.000) 1.504 6.136 ( 1.495 0.000 1.193) 1.913 6.521 ( -1.163 0.000 3.660) 3.840 6.610 ( -2.411 0.000 1.494) 2.836 6.673 ( 5.920 0.000 -4.743) 7.586 6.678 ( -5.156 0.000 4.859) 7.084 6.726 ( -2.664 0.000 -1.880) 3.261 7.042 ( 6.951 0.000 1.986) 7.229 7.234 ( -0.002 0.000 -5.563) 5.563 7.275 ( 0.599 0.000 -4.624) 4.663 7.342 ( 7.619 0.000 -1.531) 7.771 7.419 ( 1.567 0.000 0.633) 1.690 7.537 ( -0.994 0.000 -2.305) 2.510 7.720 ( 3.968 0.000 5.802) 7.029 7.793 ( -4.542 0.000 3.390) 5.668 7.854 ( -2.281 0.000 -4.080) 4.674 8.038 ( -1.185 0.000 1.534) 1.938 8.042 ( -6.361 0.000 -2.262) 6.751 8.207 ( -0.477 0.000 3.332) 3.366 8.314 ( -2.707 0.000 2.717) 3.835 8.380 ( -4.113 0.000 -4.873) 6.377 8.503 ( -1.771 0.000 -5.686) 5.956 8.610 ( -0.671 0.000 5.669) 5.708 8.734 ( 2.321 0.000 -4.235) 4.829 8.833 ( 5.925 0.000 -0.347) 5.935 8.866 ( -5.539 0.000 -5.724) 7.965 9.051 ( 9.658 0.000 5.919) 11.327 9.594 ( 16.328 0.000 10.438) 19.379 18.942 ( -3.090 0.000 -0.042) 3.091 19.019 ( -0.448 0.000 -0.149) 0.472 19.317 ( -0.964 0.000 4.311) 4.417 19.364 ( 1.837 0.000 -4.046) 4.443 20.389 ( -4.871 0.000 -5.066) 7.028 20.529 ( -2.529 0.000 4.868) 5.486 20.680 ( -2.786 0.000 -10.984) 11.332 20.833 ( 4.300 0.000 3.718) 5.685 ======================= Grid point 196 (100/128) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.100 ( -5.223 0.000 9.850) 11.149 1.434 ( -21.434 0.000 9.747) 23.547 2.202 ( -1.563 0.000 3.898) 4.200 2.322 ( -6.038 0.000 2.836) 6.671 2.522 ( -10.960 0.000 13.846) 17.659 2.716 ( -10.338 0.000 -1.119) 10.398 2.757 ( -1.509 0.000 -4.653) 4.892 2.952 ( -2.443 0.000 9.896) 10.193 3.200 ( -5.642 0.000 8.867) 10.509 3.264 ( -0.857 0.000 4.093) 4.181 3.315 ( -2.238 0.000 -8.933) 9.209 3.554 ( -1.760 0.000 -10.649) 10.794 3.581 ( 0.255 0.000 -5.687) 5.692 3.665 ( 7.049 0.000 -4.463) 8.343 3.780 ( 0.024 0.000 -12.005) 12.005 3.892 ( -3.450 0.000 9.177) 9.804 3.947 ( 2.300 0.000 -2.312) 3.261 4.172 ( -0.933 0.000 -15.652) 15.679 4.173 ( 1.090 0.000 5.519) 5.625 4.194 ( -2.810 0.000 -2.951) 4.075 4.252 ( 2.085 0.000 -5.628) 6.001 4.456 ( 0.903 0.000 -3.840) 3.945 4.489 ( -3.103 0.000 1.017) 3.266 4.619 ( 0.657 0.000 7.741) 7.769 4.876 ( 4.210 0.000 -3.417) 5.422 4.924 ( 2.324 0.000 0.706) 2.429 4.968 ( -4.874 0.000 3.614) 6.068 5.040 ( -0.666 0.000 6.015) 6.051 5.087 ( 4.462 0.000 11.598) 12.427 5.173 ( 4.773 0.000 -0.024) 4.773 5.241 ( 4.863 0.000 1.344) 5.045 5.454 ( 0.975 0.000 3.726) 3.852 5.502 ( 2.751 0.000 -5.443) 6.099 5.786 ( 8.195 0.000 -9.721) 12.715 5.862 ( -2.793 0.000 -2.871) 4.006 5.955 ( -0.065 0.000 4.918) 4.919 6.088 ( 4.852 0.000 1.163) 4.990 6.151 ( -0.426 0.000 0.608) 0.742 6.545 ( -1.302 0.000 6.556) 6.684 6.599 ( -2.079 0.000 4.650) 5.094 6.602 ( -3.829 0.000 -1.451) 4.094 6.697 ( -1.260 0.000 7.394) 7.501 6.757 ( 5.603 0.000 -5.291) 7.706 7.130 ( -1.994 0.000 -5.509) 5.859 7.190 ( 3.163 0.000 0.025) 3.163 7.274 ( 3.967 0.000 -5.748) 6.984 7.415 ( -1.415 0.000 -3.064) 3.375 7.437 ( 1.394 0.000 -3.230) 3.518 7.539 ( 3.901 0.000 -0.785) 3.980 7.751 ( -2.552 0.000 4.140) 4.863 7.769 ( -3.279 0.000 -1.890) 3.785 7.836 ( 0.983 0.000 5.271) 5.362 7.890 ( -3.261 0.000 -2.619) 4.182 8.021 ( -0.675 0.000 -1.623) 1.758 8.217 ( -3.971 0.000 -1.058) 4.109 8.223 ( 0.640 0.000 -0.120) 0.651 8.380 ( 0.905 0.000 3.713) 3.821 8.450 ( -0.188 0.000 -5.436) 5.440 8.601 ( -5.512 0.000 5.400) 7.717 8.726 ( 1.200 0.000 -6.186) 6.301 8.737 ( -3.033 0.000 -2.916) 4.208 8.919 ( 3.576 0.000 -1.741) 3.977 9.335 ( 13.727 0.000 7.032) 15.423 9.999 ( 17.359 0.000 5.460) 18.197 18.887 ( -2.690 0.000 0.766) 2.797 19.003 ( -0.964 0.000 -0.454) 1.065 19.324 ( -1.728 0.000 4.396) 4.723 19.374 ( 2.186 0.000 -3.936) 4.503 20.270 ( -3.753 0.000 -4.542) 5.892 20.494 ( -3.940 0.000 2.638) 4.742 20.526 ( -5.047 0.000 -4.460) 6.735 20.907 ( 0.966 0.000 1.117) 1.477 ======================= Grid point 197 (101/128) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.198 ( 4.172 0.000 15.018) 15.587 1.214 ( -10.466 0.000 17.634) 20.506 2.141 ( -12.011 0.000 -4.622) 12.870 2.156 ( -3.854 0.000 -0.338) 3.869 2.506 ( 0.317 0.000 4.189) 4.201 2.559 ( -3.436 0.000 -0.295) 3.449 2.695 ( -6.019 0.000 12.704) 14.058 2.940 ( -1.682 0.000 3.080) 3.509 3.184 ( -4.898 0.000 13.441) 14.306 3.273 ( -3.253 0.000 2.522) 4.116 3.334 ( 3.208 0.000 0.777) 3.301 3.382 ( -5.422 0.000 -5.680) 7.853 3.570 ( 4.054 0.000 -10.261) 11.032 3.611 ( -3.932 0.000 -1.205) 4.112 3.726 ( 4.457 0.000 -10.859) 11.738 3.839 ( -7.974 0.000 -0.003) 7.974 3.962 ( -2.535 0.000 -18.301) 18.475 4.047 ( -7.488 0.000 -4.951) 8.976 4.090 ( 3.524 0.000 1.878) 3.994 4.189 ( -2.720 0.000 2.626) 3.781 4.286 ( 9.714 0.000 -8.140) 12.673 4.423 ( -3.103 0.000 0.340) 3.122 4.521 ( 8.598 0.000 -3.816) 9.407 4.674 ( -3.098 0.000 5.167) 6.024 4.897 ( -1.278 0.000 -0.716) 1.465 4.926 ( -1.235 0.000 2.269) 2.584 5.043 ( 4.419 0.000 3.373) 5.560 5.121 ( -0.658 0.000 9.070) 9.094 5.213 ( 4.935 0.000 9.193) 10.434 5.265 ( 3.956 0.000 4.637) 6.096 5.351 ( 6.730 0.000 1.573) 6.911 5.521 ( 2.144 0.000 -3.125) 3.790 5.597 ( 7.173 0.000 4.139) 8.281 5.772 ( -0.937 0.000 -6.483) 6.550 5.870 ( 1.962 0.000 -6.023) 6.334 5.895 ( -0.412 0.000 -4.499) 4.518 6.156 ( -0.303 0.000 6.432) 6.439 6.212 ( 4.566 0.000 4.427) 6.360 6.488 ( -6.050 0.000 1.314) 6.191 6.535 ( -7.143 0.000 1.115) 7.229 6.580 ( 0.349 0.000 0.802) 0.875 6.774 ( 0.197 0.000 -6.132) 6.136 6.787 ( 2.418 0.000 9.904) 10.194 7.032 ( -2.607 0.000 -5.804) 6.363 7.177 ( -2.426 0.000 -3.977) 4.658 7.301 ( -1.643 0.000 -10.469) 10.597 7.344 ( -1.091 0.000 0.204) 1.110 7.422 ( 3.221 0.000 1.330) 3.485 7.675 ( 8.379 0.000 1.814) 8.573 7.727 ( 0.672 0.000 -0.215) 0.705 7.737 ( -2.500 0.000 3.309) 4.147 7.808 ( -1.887 0.000 2.987) 3.533 7.948 ( 3.082 0.000 0.552) 3.131 7.986 ( -0.825 0.000 -3.327) 3.428 8.168 ( -0.034 0.000 -2.231) 2.231 8.221 ( -0.648 0.000 -1.469) 1.606 8.390 ( -1.539 0.000 -5.319) 5.537 8.413 ( -2.017 0.000 1.669) 2.618 8.515 ( -5.171 0.000 7.513) 9.121 8.701 ( 1.636 0.000 -6.801) 6.996 8.709 ( -0.650 0.000 3.351) 3.414 8.939 ( 0.470 0.000 -3.455) 3.487 9.665 ( 13.423 0.000 9.035) 16.180 10.250 ( 6.303 0.000 -5.209) 8.177 18.859 ( -0.924 0.000 1.604) 1.851 18.970 ( -1.753 0.000 -1.588) 2.365 19.319 ( -2.141 0.000 4.172) 4.689 19.384 ( 1.965 0.000 -4.139) 4.582 20.207 ( 1.016 0.000 -0.557) 1.159 20.419 ( -5.127 0.000 0.681) 5.173 20.487 ( 1.378 0.000 4.510) 4.716 20.877 ( -3.518 0.000 -2.403) 4.260 ======================= Grid point 198 (102/128) ======================= q-point: ( 0.00 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 2.979 4.153 15.692) 16.504 1.457 ( 7.430 3.335 10.191) 13.045 1.812 ( -6.491 -6.278 -0.294) 9.036 2.039 ( -2.481 -4.019 -14.796) 15.532 2.429 ( 1.485 -7.192 -0.483) 7.360 2.468 ( 1.191 -6.215 -3.079) 7.037 2.842 ( 3.825 -6.466 11.436) 13.683 2.852 ( -5.753 -3.763 10.474) 12.529 2.998 ( -0.877 -9.347 2.465) 9.706 3.191 ( -1.518 -4.634 -1.602) 5.133 3.355 ( -1.742 1.506 2.215) 3.195 3.375 ( -1.877 8.914 6.538) 11.213 3.578 ( -4.086 3.459 1.817) 5.653 3.688 ( 4.019 6.494 -9.402) 12.113 3.765 ( -1.582 -0.318 -2.259) 2.776 3.845 ( -0.123 6.974 0.637) 7.004 3.899 ( 3.013 4.918 -11.064) 12.478 3.931 ( -1.512 8.558 -7.319) 11.362 4.154 ( -6.699 -0.017 8.052) 10.474 4.218 ( 4.203 6.223 1.124) 7.593 4.255 ( -5.087 -1.976 0.406) 5.473 4.384 ( 5.831 -2.997 -7.546) 9.996 4.595 ( -8.132 0.717 5.527) 9.859 4.715 ( 8.725 2.776 -5.610) 10.738 4.909 ( 1.080 2.591 2.622) 3.841 4.944 ( -1.953 2.602 0.637) 3.315 5.115 ( -2.857 -1.024 3.583) 4.696 5.161 ( 5.552 2.260 -1.862) 6.277 5.286 ( 3.101 -6.388 7.088) 10.033 5.392 ( 6.603 -1.667 7.175) 9.893 5.455 ( -4.612 -3.968 -5.962) 8.518 5.524 ( -2.337 1.785 -3.915) 4.896 5.566 ( 2.335 -3.361 6.835) 7.967 5.662 ( -1.543 -6.313 -4.280) 7.781 5.847 ( -4.135 1.428 -2.996) 5.302 5.938 ( 6.184 0.685 -9.764) 11.578 6.250 ( 1.629 -1.092 10.468) 10.650 6.346 ( 2.685 1.610 3.226) 4.496 6.441 ( -2.123 -0.091 -0.849) 2.289 6.490 ( 0.969 6.583 -1.917) 6.924 6.568 ( 1.706 -2.342 2.122) 3.591 6.669 ( -4.402 2.172 -6.349) 8.025 6.875 ( -5.006 -1.122 1.012) 5.229 6.909 ( 2.529 -1.094 -2.858) 3.970 7.104 ( 3.455 -1.911 3.196) 5.079 7.209 ( -3.877 2.014 -5.644) 7.138 7.438 ( -0.011 2.771 0.924) 2.921 7.488 ( 2.361 3.944 -2.924) 5.448 7.718 ( 0.833 -0.041 3.629) 3.724 7.748 ( -0.168 -3.060 0.809) 3.169 7.810 ( -0.869 2.786 1.119) 3.126 7.853 ( 3.033 2.124 -2.265) 4.340 7.948 ( -0.900 -0.168 0.155) 0.929 7.973 ( -0.443 -0.051 -1.220) 1.299 8.152 ( -2.725 0.109 1.096) 2.939 8.187 ( 1.694 0.406 -1.177) 2.102 8.316 ( -2.278 -1.365 -1.025) 2.847 8.342 ( -0.312 -1.421 -2.952) 3.290 8.448 ( -1.242 -6.097 6.470) 8.976 8.543 ( 0.666 -8.158 -2.563) 8.577 8.923 ( 2.579 10.306 2.660) 10.952 8.983 ( -2.960 8.260 -2.484) 9.119 9.888 ( 7.772 -6.860 9.006) 13.732 10.032 ( -9.430 -10.999 -5.102) 15.360 18.905 ( 1.478 2.743 1.924) 3.662 18.946 ( -1.332 2.571 -2.118) 3.587 19.284 ( -0.987 -2.600 3.595) 4.545 19.362 ( 1.838 -3.156 -4.110) 5.498 20.326 ( 4.873 3.106 2.137) 6.162 20.375 ( -4.606 5.010 -2.518) 7.257 20.657 ( 7.759 2.470 4.008) 9.076 20.763 ( -5.276 1.375 -6.055) 8.148 ======================= Grid point 199 (103/128) ======================= q-point: ( 0.11 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -1.811 2.362 -3.020) 4.240 1.573 ( 7.354 2.549 -12.787) 14.970 1.855 ( 3.060 -2.455 16.211) 16.679 2.055 ( 10.656 -5.249 -1.147) 11.934 2.420 ( 1.151 -7.179 -1.492) 7.422 2.529 ( 5.100 -6.058 -3.012) 8.473 2.836 ( 1.354 -8.417 3.620) 9.262 3.008 ( 5.603 -14.304 2.902) 15.634 3.064 ( -0.618 -2.622 6.263) 6.818 3.201 ( 3.738 -4.510 1.806) 6.129 3.374 ( 1.448 2.575 8.208) 8.723 3.395 ( 0.393 9.517 1.680) 9.672 3.504 ( -5.704 3.584 4.378) 8.034 3.682 ( 1.337 11.543 -6.679) 13.403 3.725 ( -3.173 4.380 2.209) 5.843 3.806 ( -0.706 11.196 -8.201) 13.897 3.874 ( 3.920 -3.523 1.068) 5.377 3.985 ( 4.558 2.569 -0.196) 5.236 4.069 ( -9.000 -2.226 9.968) 13.613 4.178 ( -0.425 5.140 -2.229) 5.619 4.332 ( 4.652 7.622 -1.865) 9.122 4.396 ( 1.048 -2.437 -2.700) 3.786 4.457 ( -6.811 1.421 3.446) 7.764 4.800 ( 3.471 0.034 -5.171) 6.228 4.863 ( -3.487 1.733 3.218) 5.052 5.019 ( 0.539 1.886 -3.468) 3.984 5.061 ( -1.316 -4.224 -2.263) 4.969 5.203 ( -0.078 -2.922 0.710) 3.008 5.280 ( -5.298 -3.596 -6.074) 8.825 5.304 ( -6.403 -4.302 3.111) 8.318 5.400 ( -2.654 -0.654 -5.015) 5.711 5.487 ( -2.511 3.142 -1.048) 4.156 5.588 ( -0.283 -5.135 5.522) 7.546 5.693 ( -1.736 2.810 2.359) 4.059 5.767 ( 2.260 1.117 -3.940) 4.678 6.006 ( 7.085 3.539 -5.995) 9.933 6.300 ( -2.588 0.321 0.000) 2.608 6.355 ( -0.959 1.300 -7.551) 7.721 6.442 ( 0.480 -0.922 3.884) 4.021 6.514 ( 2.884 0.600 0.473) 2.983 6.606 ( 2.392 -2.148 -2.898) 4.328 6.680 ( 5.068 1.773 6.146) 8.161 6.788 ( -3.538 -6.887 1.920) 7.977 6.952 ( 3.150 0.241 1.160) 3.365 7.091 ( -1.977 -1.483 -3.218) 4.058 7.263 ( 3.487 4.925 2.367) 6.482 7.398 ( 0.272 2.299 0.432) 2.355 7.505 ( -1.074 3.418 -4.440) 5.705 7.643 ( -4.616 -2.513 1.257) 5.404 7.722 ( -6.646 1.276 -0.677) 6.801 7.822 ( 3.067 1.821 0.759) 3.646 7.858 ( -1.747 -0.728 -2.118) 2.840 7.939 ( -1.240 -0.774 0.212) 1.477 7.967 ( 1.067 2.683 0.114) 2.890 8.107 ( -1.330 0.810 2.316) 2.791 8.242 ( 2.265 0.859 -2.408) 3.416 8.271 ( -0.585 -1.344 4.643) 4.869 8.397 ( 4.757 -2.964 0.501) 5.627 8.469 ( -0.477 -6.488 4.381) 7.844 8.548 ( 1.351 -8.098 -2.248) 8.512 8.889 ( -4.021 7.702 -2.026) 8.922 8.985 ( 0.788 10.741 2.622) 11.085 9.741 ( -15.386 -6.985 -4.003) 17.365 10.020 ( -1.408 -7.963 7.522) 11.044 18.917 ( 0.313 2.175 -1.641) 2.742 18.970 ( 3.159 3.377 1.286) 4.799 19.285 ( -1.085 -2.273 2.103) 3.282 19.390 ( 3.718 -2.219 -3.774) 5.744 20.248 ( -4.124 3.596 -1.720) 5.735 20.457 ( 4.978 2.527 1.378) 5.750 20.614 ( -4.224 2.252 -5.648) 7.404 20.838 ( 7.315 -0.340 0.960) 7.385 ======================= Grid point 200 (104/128) ======================= q-point: ( 0.22 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 2.538 1.257 -11.957) 12.288 1.691 ( 14.914 3.166 -10.659) 18.603 2.006 ( 1.987 -3.532 5.620) 6.928 2.263 ( 6.630 -6.933 4.131) 10.444 2.532 ( 6.826 0.516 9.907) 12.042 2.612 ( 7.311 -6.771 -4.936) 11.120 2.948 ( 7.155 -7.647 -0.773) 10.500 3.030 ( -0.784 -4.838 5.230) 7.167 3.193 ( 5.018 -5.817 5.772) 9.609 3.244 ( 2.025 -7.559 0.018) 7.826 3.366 ( 0.805 3.341 -11.344) 11.854 3.380 ( -10.668 8.017 7.067) 15.101 3.518 ( -0.639 4.241 5.937) 7.324 3.673 ( -0.324 3.254 -1.475) 3.587 3.701 ( 1.344 8.693 1.200) 8.877 3.803 ( -1.820 5.048 8.829) 10.332 3.922 ( -2.142 0.937 9.565) 9.847 4.011 ( 8.047 -0.542 -1.371) 8.181 4.094 ( 2.385 2.210 -1.297) 3.501 4.229 ( 4.329 2.861 2.704) 5.851 4.331 ( 1.353 5.910 -5.068) 7.902 4.364 ( -3.126 -1.156 2.289) 4.043 4.487 ( 4.926 -0.652 0.332) 4.980 4.775 ( -3.945 -1.728 -4.681) 6.361 4.820 ( -2.896 -2.398 2.229) 4.371 4.884 ( -6.508 1.431 -2.064) 6.976 4.982 ( -3.139 -5.900 -4.294) 7.943 5.127 ( -2.618 -2.503 -6.752) 7.663 5.184 ( -4.326 -4.085 -2.508) 6.457 5.264 ( -0.240 -2.729 -1.557) 3.151 5.335 ( -2.988 1.874 -2.495) 4.321 5.438 ( -2.891 4.847 2.697) 6.255 5.545 ( -4.802 -1.057 5.857) 7.647 5.616 ( -1.760 8.235 -2.266) 8.721 5.901 ( 7.867 2.425 -0.766) 8.268 6.094 ( 5.386 4.441 -4.871) 8.512 6.176 ( -6.990 1.520 -5.683) 9.136 6.263 ( -1.543 2.110 -7.721) 8.151 6.479 ( -0.338 -3.456 3.960) 5.267 6.551 ( -2.588 -1.573 8.530) 9.051 6.638 ( 3.800 -5.249 -5.431) 8.455 6.773 ( 0.493 -8.165 0.859) 8.225 6.804 ( 3.699 2.363 -4.344) 6.175 6.962 ( -0.194 -0.397 -2.182) 2.226 7.134 ( 2.578 -3.635 4.522) 6.349 7.248 ( -3.231 4.934 3.394) 6.805 7.340 ( -6.619 -1.175 -4.037) 7.841 7.473 ( -1.486 2.903 1.063) 3.430 7.574 ( -5.220 4.537 0.680) 6.949 7.681 ( 4.941 -1.958 2.903) 6.056 7.800 ( -2.149 -1.557 1.851) 3.236 7.859 ( 0.726 1.851 -1.840) 2.709 7.945 ( 0.328 -0.471 -0.723) 0.923 7.980 ( 1.474 3.422 1.459) 4.001 8.115 ( 0.119 -2.449 1.227) 2.742 8.264 ( 1.562 2.935 3.801) 5.050 8.341 ( 2.952 -2.130 1.617) 3.983 8.429 ( -0.443 -3.862 -1.947) 4.347 8.552 ( 2.080 -9.483 -0.210) 9.711 8.562 ( 3.812 -1.744 4.703) 6.300 8.812 ( -2.822 6.172 -0.519) 6.807 8.983 ( -2.465 8.806 0.733) 9.174 9.422 ( -14.089 -2.191 -3.018) 14.574 9.938 ( -10.560 -7.087 2.286) 12.921 18.928 ( 1.842 2.100 -1.017) 2.973 19.038 ( 3.024 4.382 0.322) 5.334 19.277 ( -1.216 -2.319 1.628) 3.084 19.432 ( 3.439 0.245 -4.007) 5.286 20.210 ( 0.673 1.155 0.967) 1.650 20.495 ( -0.731 -1.844 -1.616) 2.559 20.580 ( 3.012 4.544 -0.212) 5.456 20.928 ( 2.025 -1.405 -1.581) 2.928 ======================= Grid point 201 (105/128) ======================= q-point: ( 0.33 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 11.026 1.341 -9.590) 14.674 1.975 ( 16.955 0.168 -2.191) 17.097 2.025 ( 2.693 -3.994 -6.191) 7.844 2.363 ( -1.107 -4.697 8.172) 9.490 2.652 ( 3.715 -0.173 -3.383) 5.027 2.752 ( 2.188 -1.273 2.905) 3.853 3.043 ( 1.646 -5.102 6.764) 8.631 3.139 ( -5.333 2.687 -0.694) 6.012 3.172 ( -6.118 6.155 10.808) 13.861 3.220 ( -1.377 -7.165 4.494) 8.569 3.330 ( 1.553 -0.540 0.497) 1.718 3.346 ( 6.516 -3.803 -0.582) 7.567 3.499 ( -1.268 3.012 -3.310) 4.651 3.685 ( 5.111 -1.703 2.479) 5.930 3.732 ( 2.305 6.241 -3.235) 7.397 3.819 ( -0.425 -0.832 6.605) 6.671 4.057 ( 0.196 5.474 -1.461) 5.669 4.098 ( 1.425 -1.554 7.328) 7.626 4.174 ( 6.733 -0.425 -2.322) 7.134 4.291 ( 5.175 2.494 -3.970) 6.983 4.317 ( 0.845 4.121 3.590) 5.530 4.462 ( 5.249 2.467 2.136) 6.180 4.526 ( -2.092 1.057 -3.463) 4.181 4.657 ( 0.337 -5.624 2.919) 6.345 4.735 ( -5.406 -4.731 -0.605) 7.209 4.783 ( -5.588 0.842 1.726) 5.908 4.950 ( -5.617 -7.138 -9.360) 13.043 5.045 ( 3.623 3.384 4.402) 6.630 5.095 ( -6.993 4.053 -2.585) 8.486 5.154 ( -0.017 -7.105 -5.044) 8.713 5.302 ( 0.758 2.859 -2.509) 3.879 5.428 ( -2.131 1.600 2.534) 3.677 5.517 ( -2.038 3.926 7.638) 8.826 5.622 ( 2.051 7.644 -2.802) 8.395 5.928 ( -6.858 1.036 -5.767) 9.020 6.016 ( -1.162 3.186 -4.306) 5.481 6.107 ( -1.002 2.721 -3.787) 4.770 6.197 ( 0.371 2.535 -5.089) 5.698 6.506 ( 1.512 -5.095 1.260) 5.462 6.552 ( -2.827 -1.229 6.000) 6.746 6.681 ( 3.951 -3.303 -3.139) 6.031 6.736 ( -2.790 2.441 -7.494) 8.361 6.794 ( 2.345 -3.822 -3.060) 5.429 6.997 ( 0.337 -6.048 4.114) 7.323 7.064 ( -4.809 -4.193 -5.296) 8.292 7.227 ( -2.333 3.983 5.452) 7.144 7.285 ( -2.906 -2.952 1.903) 4.558 7.431 ( -2.437 1.144 1.700) 3.184 7.507 ( -2.005 3.902 3.019) 5.326 7.782 ( -0.727 0.810 1.949) 2.233 7.812 ( 3.883 -1.855 -0.474) 4.329 7.853 ( -1.296 2.307 -0.331) 2.667 7.952 ( 3.936 -3.329 -1.593) 5.396 8.033 ( 0.581 1.409 2.847) 3.229 8.153 ( 3.065 -4.639 2.117) 5.949 8.342 ( -1.821 -2.594 -1.604) 3.552 8.366 ( 2.978 1.708 6.665) 7.497 8.441 ( 4.118 1.155 -1.812) 4.645 8.580 ( 1.630 -4.547 3.138) 5.761 8.682 ( 2.254 -1.087 3.429) 4.245 8.774 ( -0.672 2.531 1.434) 2.986 8.902 ( -5.031 4.611 -2.151) 7.155 9.178 ( -8.321 3.162 -2.853) 9.348 9.680 ( -14.639 -4.867 -3.386) 15.794 18.967 ( 2.326 2.170 0.050) 3.181 19.084 ( 1.815 6.087 -1.011) 6.432 19.267 ( -1.014 -2.446 2.245) 3.472 19.451 ( 1.772 2.257 -4.938) 5.711 20.277 ( 3.803 -0.532 3.960) 5.516 20.504 ( 1.350 -3.020 3.135) 4.558 20.629 ( 2.443 1.842 -2.213) 3.776 20.900 ( -2.519 -1.440 -3.224) 4.337 ======================= Grid point 202 (106/128) ======================= q-point: ( 0.44 0.17 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 12.999 -2.520 -2.265) 13.433 1.897 ( -8.787 -8.782 -6.395) 13.973 2.352 ( 1.071 -3.244 9.893) 10.466 2.393 ( 15.239 5.162 1.297) 16.141 2.657 ( 2.367 -1.546 -9.856) 10.253 2.750 ( -5.602 3.275 5.357) 8.415 2.850 ( -12.118 3.360 0.761) 12.598 2.938 ( -7.891 3.400 -2.688) 9.003 3.282 ( -7.019 2.174 11.586) 13.719 3.300 ( 4.267 -5.156 7.657) 10.169 3.406 ( 4.014 -5.101 3.116) 7.200 3.496 ( 6.600 -5.306 -2.676) 8.881 3.544 ( 9.092 -4.112 1.673) 10.118 3.735 ( -5.505 -1.483 5.752) 8.099 3.788 ( 9.334 4.246 -10.974) 15.019 3.841 ( -4.297 -3.615 2.236) 6.045 4.054 ( 5.021 5.671 -1.728) 7.768 4.130 ( -0.097 -1.786 2.660) 3.205 4.289 ( -4.053 0.491 5.404) 6.773 4.300 ( 1.179 6.915 2.252) 7.367 4.398 ( 5.516 1.036 -4.319) 7.082 4.458 ( 6.812 2.400 -2.262) 7.568 4.548 ( -2.957 4.536 0.322) 5.424 4.579 ( -6.502 3.173 -1.203) 7.335 4.691 ( -2.628 2.741 -2.043) 4.312 4.771 ( -0.065 -5.524 3.680) 6.638 4.842 ( 1.312 -5.435 -1.709) 5.846 4.879 ( -7.704 2.754 -5.278) 9.737 5.135 ( -0.329 -5.116 3.936) 6.463 5.205 ( 4.306 -3.326 -2.158) 5.854 5.332 ( 3.049 0.535 0.386) 3.119 5.399 ( 0.775 1.080 4.660) 4.845 5.582 ( -2.219 4.858 -6.640) 8.521 5.617 ( 3.556 7.788 8.742) 12.236 5.723 ( -7.239 0.303 -6.875) 9.988 5.933 ( -3.313 2.317 -6.571) 7.715 6.058 ( -0.017 3.143 -1.677) 3.562 6.172 ( -0.423 2.092 -4.443) 4.929 6.551 ( -0.623 -0.641 2.312) 2.479 6.555 ( 2.389 -3.752 -0.820) 4.523 6.664 ( -0.105 0.344 -1.248) 1.299 6.711 ( 0.044 -1.778 -1.469) 2.307 6.815 ( 2.746 -0.989 -2.928) 4.135 6.881 ( -6.200 -5.619 -2.075) 8.621 7.111 ( 3.220 -4.715 3.417) 6.655 7.207 ( -3.114 -1.976 -0.617) 3.739 7.242 ( 0.495 0.934 4.640) 4.759 7.397 ( -1.798 -0.915 -2.221) 3.001 7.527 ( 0.401 0.658 4.385) 4.453 7.719 ( -3.620 0.217 -4.742) 5.969 7.842 ( 1.568 0.545 2.666) 3.141 7.898 ( 2.085 2.885 2.171) 4.169 8.005 ( -0.587 -4.197 3.336) 5.393 8.063 ( 1.707 -3.401 -0.590) 3.850 8.214 ( 0.626 -4.567 -0.094) 4.611 8.260 ( -1.877 -3.737 -2.642) 4.947 8.501 ( 3.301 1.814 7.130) 8.064 8.537 ( 5.636 2.305 3.060) 6.815 8.662 ( -3.371 0.875 0.719) 3.556 8.683 ( 6.847 1.746 1.343) 7.193 8.769 ( -6.327 0.734 -1.844) 6.631 8.813 ( -0.040 3.902 1.183) 4.078 9.085 ( 1.613 1.880 -1.313) 2.804 9.361 ( -13.958 -2.678 -5.623) 15.284 19.013 ( 1.886 2.552 1.046) 3.341 19.085 ( -0.521 5.661 -1.973) 6.018 19.283 ( 0.336 -0.663 3.616) 3.692 19.426 ( 0.033 2.500 -5.721) 6.243 20.398 ( 4.500 -0.808 5.531) 7.177 20.564 ( 0.291 -3.555 3.813) 5.221 20.641 ( 1.617 0.139 -2.849) 3.278 20.808 ( -2.740 -1.986 -5.073) 6.098 ======================= Grid point 203 (107/128) ======================= q-point: (-0.44 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -17.702 -4.860 -3.059) 18.610 1.766 ( 3.566 -9.477 6.452) 12.007 2.316 ( -13.498 -2.206 5.441) 14.719 2.471 ( -9.767 3.994 6.181) 12.229 2.630 ( 7.771 -3.222 -11.823) 14.510 2.770 ( 0.852 6.509 3.367) 7.378 2.859 ( 6.952 3.748 1.288) 8.003 2.918 ( 14.039 2.268 -4.401) 14.886 3.215 ( -8.336 2.657 12.201) 15.014 3.358 ( -4.776 -8.960 7.144) 12.415 3.439 ( -5.015 -0.565 2.187) 5.501 3.499 ( -0.333 -2.005 -5.388) 5.759 3.599 ( -3.364 5.374 -1.456) 6.505 3.718 ( -5.679 -10.949 -3.949) 12.951 3.780 ( 6.616 -9.019 8.325) 13.943 3.909 ( 8.422 4.122 -8.267) 12.500 4.051 ( -8.860 0.520 -2.157) 9.134 4.167 ( 2.602 -0.443 -0.126) 2.643 4.228 ( 0.187 5.111 4.729) 6.965 4.347 ( -4.244 4.260 -1.303) 6.153 4.379 ( 0.745 0.646 -1.147) 1.513 4.497 ( -4.959 4.085 0.080) 6.426 4.540 ( 5.585 2.434 -1.165) 6.203 4.559 ( -8.935 10.100 0.832) 13.510 4.659 ( 8.881 2.524 -1.493) 9.353 4.754 ( 9.150 3.938 1.954) 10.151 4.815 ( -3.456 -6.948 -0.437) 7.773 4.896 ( 2.453 -8.164 -0.707) 8.554 5.158 ( -0.249 -1.481 1.510) 2.130 5.189 ( -0.221 -3.940 -1.955) 4.405 5.375 ( -6.544 0.874 0.786) 6.649 5.458 ( -0.088 4.256 1.104) 4.398 5.534 ( -1.940 3.649 -6.964) 8.098 5.593 ( 9.719 0.278 4.847) 10.864 5.753 ( -1.530 0.991 -1.044) 2.101 5.850 ( 4.983 4.130 -2.871) 7.080 6.096 ( -2.616 2.113 -4.943) 5.979 6.103 ( 2.850 3.144 2.114) 4.741 6.520 ( -3.432 -2.484 1.418) 4.468 6.602 ( 3.478 -1.680 -2.227) 4.459 6.646 ( -2.531 -1.067 0.453) 2.784 6.714 ( 1.251 0.190 0.456) 1.345 6.775 ( -4.037 -2.861 -1.115) 5.072 6.876 ( 5.111 -1.958 -1.204) 5.604 7.179 ( 3.473 -2.498 1.983) 4.715 7.180 ( 0.138 -5.041 -2.557) 5.654 7.324 ( 1.531 -1.417 1.111) 2.364 7.339 ( 1.566 -1.052 -1.471) 2.392 7.592 ( 1.950 -0.814 6.264) 6.611 7.619 ( -2.119 1.309 -4.012) 4.722 7.888 ( -1.830 3.381 0.987) 3.969 7.913 ( 0.288 1.096 -0.950) 1.478 7.985 ( -4.028 -6.335 4.851) 8.939 8.068 ( 0.007 -4.767 -0.566) 4.800 8.180 ( -1.854 -1.412 1.153) 2.600 8.282 ( 4.099 -2.999 -3.330) 6.073 8.559 ( -3.915 1.303 2.253) 4.702 8.604 ( -0.711 2.594 1.569) 3.114 8.621 ( -5.656 1.028 -2.775) 6.383 8.695 ( 6.036 1.451 3.092) 6.936 8.763 ( -0.644 3.672 -3.029) 4.804 8.862 ( 8.191 3.801 -0.990) 9.084 9.087 ( -9.940 -0.727 -2.375) 10.245 9.229 ( 9.986 -2.671 6.526) 12.225 19.036 ( -2.000 3.962 -0.548) 4.472 19.055 ( 0.545 3.616 0.253) 3.665 19.319 ( -0.255 1.617 3.823) 4.158 19.381 ( 0.323 0.884 -5.144) 5.229 20.474 ( -3.507 -2.334 1.320) 4.415 20.545 ( 1.308 0.867 -0.691) 1.715 20.669 ( -0.809 -3.646 1.581) 4.056 20.768 ( 4.164 -1.044 -5.082) 6.652 ======================= Grid point 204 (108/128) ======================= q-point: (-0.33 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.246 ( -15.891 -2.257 3.226) 16.372 1.809 ( -8.866 -5.737 13.487) 17.130 1.957 ( -16.297 -7.218 -0.403) 17.828 2.466 ( 0.157 1.024 1.667) 1.962 2.631 ( -2.508 -5.409 -5.047) 7.812 2.795 ( 1.197 5.428 0.530) 5.584 2.918 ( -3.068 12.688 10.754) 16.913 3.049 ( -14.559 -0.834 7.667) 16.476 3.255 ( -6.852 -3.710 1.770) 7.990 3.275 ( 13.797 -0.340 -4.117) 14.402 3.376 ( 1.567 1.167 1.477) 2.449 3.471 ( -0.575 -4.803 -3.078) 5.733 3.552 ( 0.383 -0.383 -11.932) 11.944 3.632 ( 2.985 1.654 -0.289) 3.425 3.848 ( -7.003 0.047 -4.085) 8.108 3.915 ( 3.936 -10.116 -2.451) 11.128 3.981 ( 0.919 2.457 5.243) 5.863 4.113 ( -10.922 -0.820 1.838) 11.106 4.209 ( 2.616 0.989 -2.061) 3.474 4.244 ( -4.080 3.768 0.952) 5.635 4.417 ( 0.198 6.283 -5.376) 8.272 4.452 ( 2.802 3.955 -0.679) 4.895 4.519 ( -0.140 6.467 1.071) 6.557 4.605 ( -3.403 -6.085 4.103) 8.090 4.750 ( 3.156 -6.249 1.240) 7.110 4.794 ( 4.230 -0.783 -0.234) 4.309 4.907 ( 3.003 -5.920 -2.749) 7.185 4.972 ( 3.001 -1.080 5.606) 6.449 5.108 ( -0.463 4.648 -4.447) 6.450 5.183 ( 0.138 -2.670 -3.747) 4.603 5.232 ( -4.372 5.386 3.071) 7.586 5.500 ( 0.965 3.346 -2.705) 4.409 5.529 ( 2.248 4.711 3.772) 6.440 5.676 ( 2.408 -1.161 -6.815) 7.321 5.832 ( 7.921 1.620 3.651) 8.871 5.952 ( 3.559 4.891 1.020) 6.134 6.057 ( 0.912 2.906 0.392) 3.071 6.158 ( 1.821 1.852 0.041) 2.598 6.465 ( -3.379 -4.679 3.668) 6.839 6.629 ( -0.304 2.009 2.231) 3.018 6.657 ( 3.864 -1.722 -4.042) 5.851 6.685 ( -4.027 -1.514 -0.215) 4.308 6.713 ( -1.693 -0.450 1.787) 2.502 6.992 ( 6.834 -4.803 0.934) 8.405 7.118 ( -2.022 -8.165 -6.198) 10.448 7.290 ( 4.111 -1.998 0.480) 4.596 7.337 ( 4.051 0.909 -4.336) 6.003 7.429 ( 4.380 1.016 2.083) 4.955 7.568 ( 0.195 3.176 -2.600) 4.109 7.708 ( 2.624 -2.499 6.928) 7.819 7.813 ( -3.634 1.029 1.992) 4.270 7.865 ( -3.594 1.684 -3.585) 5.348 7.939 ( -3.984 -4.904 1.447) 6.482 8.070 ( 0.151 -0.070 -0.391) 0.425 8.165 ( -0.739 -2.455 0.406) 2.596 8.335 ( 2.447 -1.063 -0.491) 2.713 8.425 ( -7.754 3.696 -1.369) 8.698 8.500 ( -2.913 -0.339 -5.263) 6.025 8.589 ( -3.072 -0.543 1.178) 3.334 8.759 ( 2.258 1.823 -3.862) 4.831 8.823 ( 1.045 0.198 -0.040) 1.064 8.882 ( 1.492 0.884 -2.803) 3.296 9.092 ( 7.741 3.790 5.414) 10.178 9.538 ( 14.438 -5.370 10.573) 18.684 18.975 ( -3.157 3.316 -0.720) 4.635 19.065 ( -0.621 4.489 0.803) 4.602 19.311 ( -1.021 -0.731 -0.363) 1.307 19.381 ( 0.811 1.152 0.021) 1.409 20.359 ( -4.994 -2.157 -3.744) 6.604 20.547 ( -3.682 0.103 2.230) 4.306 20.641 ( 1.115 -1.666 -6.532) 6.833 20.854 ( 4.567 1.049 0.827) 4.758 ======================= Grid point 205 (109/128) ======================= q-point: (-0.22 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -6.646 -1.885 12.305) 14.112 1.508 ( -20.332 7.338 7.985) 23.043 1.912 ( -0.644 -19.123 9.033) 21.159 2.463 ( 0.032 3.680 -8.467) 9.232 2.483 ( -9.470 -3.124 6.433) 11.867 2.740 ( -16.926 -0.064 3.601) 17.305 2.775 ( -3.976 2.886 0.118) 4.914 2.953 ( -5.524 2.616 7.661) 9.801 3.166 ( -0.587 -2.563 3.679) 4.522 3.324 ( -5.899 -3.095 -10.201) 12.184 3.355 ( -1.176 6.502 6.719) 9.423 3.455 ( 0.704 -6.408 -7.947) 10.233 3.591 ( 4.885 5.199 -2.917) 7.707 3.688 ( 0.775 2.901 -3.260) 4.433 3.775 ( 3.462 0.779 -4.736) 5.918 3.911 ( -4.531 0.311 5.162) 6.875 4.012 ( 7.985 -3.702 -4.758) 10.005 4.043 ( -2.008 -1.622 -0.088) 2.583 4.207 ( -1.247 3.906 3.318) 5.275 4.221 ( 0.646 0.430 -10.174) 10.204 4.337 ( -3.160 1.722 -4.927) 6.101 4.420 ( -2.273 -0.294 -1.699) 2.854 4.483 ( -1.479 -0.858 -0.874) 1.920 4.641 ( 2.636 2.262 5.442) 6.456 4.823 ( -1.432 -5.904 2.694) 6.645 4.848 ( 5.469 -5.897 2.186) 8.334 4.964 ( 1.456 3.337 -2.155) 4.231 4.998 ( 2.732 -3.006 5.671) 6.975 5.128 ( -0.694 1.983 4.067) 4.578 5.201 ( 4.303 1.353 0.795) 4.581 5.259 ( 1.703 0.096 2.589) 3.101 5.499 ( 1.918 5.383 -1.689) 5.959 5.579 ( 1.843 5.956 0.437) 6.250 5.703 ( 5.148 -4.026 -7.876) 10.235 5.935 ( 0.859 3.258 -3.281) 4.703 6.004 ( -0.718 4.847 3.798) 6.199 6.091 ( 1.845 1.247 2.399) 3.273 6.192 ( 1.926 2.830 -0.702) 3.494 6.464 ( -0.428 -5.551 5.811) 8.047 6.589 ( -3.352 -1.125 -1.227) 3.743 6.640 ( -2.765 -0.789 2.460) 3.785 6.682 ( -0.145 1.541 5.892) 6.092 6.763 ( 5.493 -0.213 -3.173) 6.347 7.031 ( -1.416 -6.761 -5.772) 9.002 7.150 ( 6.652 -4.072 0.975) 7.860 7.310 ( 0.511 -0.906 -2.230) 2.460 7.365 ( 2.064 0.619 -4.637) 5.113 7.497 ( 0.259 2.107 -1.262) 2.469 7.600 ( 4.565 6.088 -1.522) 7.760 7.694 ( -5.267 -2.583 2.128) 6.240 7.786 ( -1.898 -0.679 0.308) 2.039 7.853 ( -0.703 -0.548 3.644) 3.751 7.888 ( 2.461 2.274 0.311) 3.365 8.046 ( -1.657 2.226 -2.456) 3.705 8.145 ( -0.313 -3.797 -2.096) 4.349 8.299 ( -4.343 3.772 0.208) 5.756 8.366 ( 0.189 -1.477 2.167) 2.629 8.432 ( -0.196 -2.111 -5.472) 5.869 8.526 ( -4.502 -5.157 1.751) 7.066 8.673 ( -4.353 -2.567 -5.907) 7.774 8.827 ( 2.145 5.602 -2.079) 6.349 8.981 ( 4.239 4.900 1.278) 6.604 9.328 ( 11.733 -0.303 6.106) 13.230 9.900 ( 14.371 -9.411 6.854) 18.496 18.914 ( -2.689 2.876 0.336) 3.951 19.043 ( -1.796 3.955 -0.183) 4.348 19.294 ( -1.003 -2.763 0.767) 3.038 19.387 ( -0.075 0.334 -0.546) 0.645 20.251 ( -3.174 -0.841 -2.895) 4.377 20.478 ( -2.846 -2.175 0.487) 3.615 20.602 ( -1.484 7.009 -3.708) 8.067 20.918 ( 1.213 0.787 -0.294) 1.475 ======================= Grid point 206 (110/128) ======================= q-point: (-0.11 0.17 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 0.827 -1.482 18.971) 19.046 1.309 ( -6.329 7.314 13.198) 16.362 1.939 ( -3.644 -12.901 3.027) 13.743 2.256 ( -8.014 0.915 -11.115) 13.733 2.452 ( -4.322 -2.555 -0.905) 5.102 2.497 ( -3.090 -4.950 -1.193) 5.956 2.735 ( -5.052 0.470 14.930) 15.769 2.885 ( -4.805 -1.580 5.343) 7.358 3.125 ( -7.149 -9.485 -7.519) 14.057 3.208 ( -0.019 -4.432 2.456) 5.067 3.363 ( -4.087 9.762 10.079) 14.615 3.393 ( -0.811 -2.793 -3.823) 4.804 3.623 ( -2.575 5.443 2.614) 6.564 3.679 ( 3.057 2.715 -5.349) 6.733 3.773 ( 3.434 10.424 -3.325) 11.468 3.891 ( -4.264 -6.970 -6.322) 10.331 3.945 ( 0.174 -0.476 -8.086) 8.102 4.066 ( -2.599 10.563 -9.420) 14.390 4.149 ( 0.464 1.529 -1.466) 2.169 4.216 ( 0.039 1.797 3.527) 3.958 4.304 ( 5.190 -2.312 -6.291) 8.477 4.354 ( -5.355 -0.990 1.452) 5.636 4.532 ( 7.086 1.837 -2.604) 7.770 4.698 ( -1.194 1.868 3.787) 4.388 4.852 ( 1.405 -1.861 2.823) 3.661 4.996 ( 5.216 0.340 0.793) 5.287 5.006 ( 2.989 -1.413 3.874) 5.093 5.085 ( 0.772 -1.205 8.388) 8.509 5.189 ( 2.965 -2.251 3.925) 5.409 5.245 ( 0.591 -2.115 5.909) 6.304 5.345 ( 7.495 -1.267 0.951) 7.661 5.540 ( 1.188 2.267 -2.906) 3.872 5.613 ( -0.550 2.807 2.192) 3.603 5.720 ( 1.306 -4.150 -6.989) 8.232 5.896 ( 3.043 0.604 -9.061) 9.578 5.958 ( -3.930 4.119 -1.059) 5.791 6.153 ( 0.234 0.329 8.220) 8.230 6.248 ( 3.497 2.588 3.365) 5.500 6.496 ( -1.774 -0.295 4.188) 4.557 6.531 ( -2.300 1.932 -3.245) 4.422 6.569 ( -3.519 -4.112 0.927) 5.492 6.745 ( 0.008 2.823 3.061) 4.164 6.830 ( 4.956 0.569 -1.798) 5.303 6.956 ( -2.197 -5.370 -4.784) 7.521 7.136 ( -3.874 -2.692 -4.879) 6.787 7.356 ( -0.990 3.683 -6.841) 7.832 7.404 ( -3.168 3.711 0.209) 4.884 7.420 ( 6.109 0.286 3.082) 6.849 7.645 ( 1.106 -3.031 0.867) 3.341 7.709 ( 5.598 1.865 0.486) 5.920 7.778 ( -1.027 1.088 3.103) 3.444 7.852 ( -0.525 3.705 0.637) 3.796 7.957 ( 2.223 1.170 0.537) 2.569 7.990 ( -1.517 0.733 -2.977) 3.420 8.138 ( 1.027 -2.364 -1.129) 2.814 8.237 ( -2.470 0.914 -1.307) 2.940 8.357 ( -1.344 -2.291 -2.900) 3.933 8.414 ( -0.055 -1.937 1.269) 2.316 8.439 ( -5.334 -5.213 1.877) 7.691 8.574 ( -1.752 -5.875 -3.579) 7.099 8.860 ( 2.370 8.528 0.161) 8.853 9.027 ( 0.226 7.421 -0.884) 7.477 9.620 ( 12.301 -4.253 7.835) 15.192 10.117 ( 4.361 -12.445 -1.608) 13.285 18.885 ( -0.820 2.664 1.355) 3.099 18.997 ( -2.204 2.844 -1.339) 3.839 19.281 ( -1.524 -3.554 2.778) 4.762 19.374 ( 0.071 -1.468 -2.553) 2.946 20.226 ( 2.340 2.162 0.378) 3.208 20.466 ( -1.534 -0.262 1.810) 2.387 20.545 ( -0.204 9.247 -0.597) 9.268 20.886 ( -3.066 0.735 -3.244) 4.524 ======================= Grid point 207 (111/128) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.419 ( 6.569 4.468 16.078) 17.934 1.546 ( 6.343 4.878 6.381) 10.235 1.693 ( -4.528 -4.671 4.047) 7.662 1.914 ( -5.144 -8.071 -13.386) 16.456 2.322 ( 1.898 -3.519 -1.099) 4.147 2.383 ( -1.145 -0.784 -7.674) 7.799 2.573 ( -1.746 -12.966 3.404) 13.519 2.703 ( -1.645 -12.314 -7.704) 14.618 3.016 ( -1.732 5.302 11.897) 13.139 3.145 ( 0.178 -1.882 -2.202) 2.902 3.393 ( -2.945 5.360 11.121) 12.692 3.583 ( -0.628 9.314 4.213) 10.242 3.619 ( -4.668 0.149 1.853) 5.024 3.709 ( 0.430 -0.737 3.073) 3.189 3.769 ( 3.024 -0.517 -4.543) 5.482 3.834 ( 0.179 -4.028 -8.016) 8.973 4.012 ( -0.660 0.146 3.175) 3.246 4.104 ( -6.561 6.926 6.493) 11.540 4.138 ( 1.915 1.616 -6.857) 7.301 4.288 ( 3.837 0.622 -8.559) 9.400 4.373 ( -2.493 9.459 1.989) 9.982 4.427 ( 4.291 9.243 -2.097) 10.404 4.631 ( -6.237 4.184 7.550) 10.649 4.782 ( 6.493 3.886 -5.839) 9.558 4.910 ( 1.798 -2.731 4.583) 5.630 4.997 ( -3.766 1.207 1.622) 4.275 5.054 ( -0.591 -7.089 -1.280) 7.228 5.086 ( 4.137 -5.929 2.250) 7.571 5.276 ( 3.246 0.874 6.280) 7.123 5.348 ( 8.969 1.202 5.424) 10.550 5.431 ( -6.980 1.401 -3.907) 8.121 5.479 ( 4.718 -4.731 -5.235) 8.488 5.569 ( -1.647 1.165 -3.299) 3.867 5.605 ( -3.202 0.478 -4.244) 5.338 5.818 ( -5.830 -2.881 -0.081) 6.504 5.899 ( 6.558 -4.690 -6.733) 10.504 6.241 ( 1.236 0.592 7.234) 7.362 6.320 ( 1.464 -3.196 -0.097) 3.517 6.420 ( -0.328 -1.453 3.587) 3.884 6.486 ( -0.514 -3.592 -1.890) 4.091 6.670 ( 4.152 7.028 1.086) 8.235 6.735 ( -6.120 4.629 -5.397) 9.381 6.824 ( -1.475 -2.807 1.158) 3.376 6.912 ( -2.881 -0.640 -7.271) 7.847 7.138 ( 5.729 5.900 6.217) 10.310 7.257 ( -3.017 2.921 -5.280) 6.747 7.475 ( -3.379 0.414 3.020) 4.551 7.539 ( 5.752 -0.436 -2.509) 6.291 7.667 ( 2.384 -2.493 2.656) 4.353 7.695 ( -1.702 -2.180 0.342) 2.787 7.857 ( 0.445 0.701 -0.605) 1.028 7.886 ( -2.481 -0.168 -3.189) 4.043 7.984 ( 1.121 4.557 1.774) 5.017 8.005 ( -1.283 4.257 -0.352) 4.460 8.160 ( -0.233 0.447 3.610) 3.645 8.182 ( 0.396 -1.211 2.405) 2.722 8.283 ( -0.833 -3.793 -1.427) 4.137 8.287 ( -0.366 -2.647 -3.066) 4.067 8.361 ( -1.774 -2.058 -0.095) 2.718 8.413 ( 0.490 -5.039 -3.458) 6.131 9.117 ( 2.119 9.548 2.908) 10.203 9.152 ( -2.383 8.403 -0.278) 8.739 9.727 ( 6.106 -8.737 5.700) 12.087 9.790 ( -7.406 -12.484 -0.225) 14.518 18.975 ( 1.265 4.310 1.815) 4.845 19.014 ( -1.151 4.074 -2.028) 4.694 19.218 ( 0.446 -3.864 2.836) 4.813 19.280 ( 0.728 -5.141 -3.298) 6.152 20.397 ( 4.253 3.796 3.640) 6.763 20.451 ( -2.320 2.143 -0.389) 3.182 20.723 ( 3.190 3.876 -1.677) 5.293 20.788 ( -3.648 0.791 -6.533) 7.524 ======================= Grid point 208 (112/128) ======================= q-point: ( 0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -3.682 3.746 -7.392) 9.068 1.610 ( 5.063 0.029 -11.277) 12.362 1.817 ( 6.692 -0.883 14.373) 15.879 1.919 ( 9.423 -7.312 0.456) 11.936 2.349 ( 3.900 0.054 -1.032) 4.035 2.414 ( 5.993 -3.529 0.481) 6.971 2.631 ( 4.569 -11.050 -0.540) 11.969 2.730 ( 6.394 -13.195 4.546) 15.351 3.060 ( -1.745 0.345 6.880) 7.106 3.126 ( -0.836 -3.333 -2.085) 4.019 3.458 ( -0.496 6.022 12.971) 14.309 3.557 ( -1.969 2.775 -1.180) 3.602 3.612 ( -0.020 9.368 4.315) 10.314 3.739 ( -1.334 -0.037 5.075) 5.247 3.807 ( 2.964 0.258 -5.350) 6.122 3.829 ( 6.560 0.022 -3.802) 7.582 4.000 ( -3.144 0.132 1.735) 3.594 4.035 ( -4.882 6.085 4.375) 8.944 4.089 ( -2.608 7.531 0.667) 7.997 4.269 ( -0.590 -1.984 -5.578) 5.950 4.320 ( -0.364 -0.683 -1.541) 1.724 4.489 ( -0.365 3.665 0.103) 3.684 4.561 ( -3.085 12.445 2.951) 13.157 4.795 ( -0.266 0.307 -4.395) 4.414 4.905 ( -5.267 2.285 0.134) 5.743 4.971 ( -3.742 -4.114 -5.802) 8.037 5.046 ( 4.151 -0.514 1.369) 4.401 5.095 ( -3.105 -6.566 -0.663) 7.293 5.240 ( -5.865 -1.935 -6.265) 8.797 5.268 ( -5.971 1.237 2.578) 6.620 5.357 ( -1.870 -3.942 -7.548) 8.718 5.462 ( -3.474 -4.853 1.392) 6.129 5.594 ( 4.549 5.315 2.085) 7.300 5.729 ( 7.270 0.604 -0.562) 7.317 5.805 ( 5.841 3.173 2.026) 6.949 6.014 ( 8.593 -3.181 -5.166) 10.518 6.293 ( 0.437 -0.256 -0.403) 0.647 6.345 ( 1.533 -0.983 -4.342) 4.709 6.442 ( -0.400 -1.132 3.798) 3.984 6.468 ( 0.293 -5.337 -1.105) 5.458 6.580 ( -5.512 1.161 -1.044) 5.729 6.683 ( -10.057 -2.986 2.480) 10.780 6.776 ( 4.457 6.223 3.542) 8.434 6.940 ( 4.249 -1.807 3.405) 5.737 7.108 ( -3.182 3.933 -5.442) 7.430 7.322 ( 1.299 -0.674 -0.119) 1.469 7.452 ( 2.979 3.767 2.466) 5.399 7.544 ( -5.582 0.937 -3.850) 6.846 7.623 ( -3.022 0.374 0.701) 3.125 7.693 ( -0.300 -4.043 -1.671) 4.385 7.846 ( 0.255 -0.136 1.917) 1.938 7.864 ( -0.459 -0.259 0.898) 1.041 7.948 ( -2.812 4.690 -0.069) 5.469 8.045 ( 0.942 4.659 0.749) 4.811 8.140 ( -1.473 2.229 -0.208) 2.679 8.225 ( 0.100 -2.903 2.483) 3.821 8.262 ( 1.065 -0.330 -1.615) 1.963 8.308 ( 3.514 -6.329 2.001) 7.511 8.353 ( 0.002 -3.157 1.758) 3.613 8.434 ( 3.016 -4.292 -0.805) 5.307 9.047 ( -5.729 8.274 -0.249) 10.067 9.169 ( -0.910 7.127 1.152) 7.276 9.603 ( -10.245 -5.377 -0.787) 11.597 9.826 ( -0.427 -11.332 4.161) 12.079 18.978 ( 0.013 3.999 -0.960) 4.113 19.046 ( 3.311 3.724 0.870) 5.058 19.229 ( 0.508 -2.789 -0.343) 2.855 19.325 ( 5.002 -4.425 -2.071) 6.992 20.340 ( -5.031 5.444 -2.800) 7.924 20.480 ( 0.549 -0.602 -0.102) 0.821 20.684 ( -1.595 4.635 -1.929) 5.267 20.820 ( 4.635 -1.707 1.293) 5.106 ======================= Grid point 209 (113/128) ======================= q-point: ( 0.22 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 4.236 3.831 -14.308) 15.406 1.688 ( 10.378 -7.229 -11.103) 16.830 1.958 ( 8.178 3.002 -6.972) 11.158 2.166 ( 8.159 -2.717 13.281) 15.822 2.475 ( 5.754 -5.386 -1.240) 7.978 2.611 ( 11.358 5.863 10.644) 16.633 2.722 ( 6.846 -12.643 -2.814) 14.650 2.948 ( 5.322 -6.001 11.989) 14.424 3.069 ( -0.724 -4.766 4.225) 6.411 3.097 ( -0.765 -6.139 4.366) 7.571 3.449 ( -3.391 5.758 -1.006) 6.758 3.557 ( -4.305 0.920 5.955) 7.406 3.633 ( -0.350 11.540 2.411) 11.795 3.715 ( -6.241 4.446 -2.753) 8.143 3.838 ( -2.983 1.372 2.920) 4.394 3.869 ( -1.198 2.965 9.512) 10.035 3.980 ( 4.378 4.807 -4.005) 7.636 4.022 ( 7.535 1.255 -3.337) 8.336 4.114 ( 1.709 0.498 0.055) 1.781 4.254 ( 2.864 -1.757 1.909) 3.864 4.297 ( -1.874 -2.926 -1.105) 3.646 4.427 ( -1.684 -6.227 -0.923) 6.517 4.558 ( 0.668 14.513 -1.637) 14.621 4.750 ( -5.267 -0.413 -5.493) 7.621 4.795 ( -0.499 0.572 -0.865) 1.150 4.818 ( -6.620 -2.627 -4.788) 8.582 4.976 ( -4.748 -0.814 -1.093) 4.939 5.047 ( -4.018 -6.884 -2.152) 8.256 5.137 ( -2.679 0.257 -4.479) 5.225 5.222 ( -1.103 -1.304 0.755) 1.867 5.329 ( 1.090 -1.537 -1.948) 2.711 5.394 ( -2.049 -5.200 2.322) 6.052 5.677 ( 1.592 10.848 2.081) 11.160 5.793 ( 1.354 8.248 -1.337) 8.465 5.960 ( 6.954 3.842 -0.402) 7.955 6.136 ( 6.626 -1.219 -4.177) 7.927 6.216 ( -5.155 1.687 -5.702) 7.870 6.286 ( -3.915 0.398 -5.682) 6.912 6.423 ( -1.936 -1.843 1.271) 2.960 6.506 ( 1.886 -3.758 4.132) 5.895 6.537 ( -1.884 -3.965 2.092) 4.863 6.583 ( -0.536 -9.215 3.928) 10.031 6.853 ( 1.102 3.287 -1.397) 3.737 7.007 ( -3.101 2.465 -5.163) 6.507 7.059 ( 3.266 -2.277 1.845) 4.388 7.246 ( -3.987 -4.553 -3.552) 7.018 7.375 ( -7.367 3.957 1.797) 8.553 7.486 ( -5.041 -1.039 1.828) 5.462 7.645 ( 4.247 3.177 2.617) 5.914 7.715 ( 2.606 1.294 0.701) 2.993 7.797 ( -4.462 3.321 -0.453) 5.580 7.868 ( 0.246 -1.144 -0.705) 1.366 7.953 ( 1.246 2.427 1.942) 3.349 8.026 ( -1.591 1.564 1.992) 2.991 8.099 ( -2.044 0.095 -2.766) 3.441 8.248 ( -0.594 -7.234 3.492) 8.055 8.305 ( 2.124 -0.483 2.132) 3.047 8.371 ( 3.528 -2.361 -0.867) 4.332 8.420 ( 4.147 -1.476 3.114) 5.392 8.521 ( 5.186 -2.710 3.175) 6.657 8.938 ( -5.102 6.504 -0.152) 8.268 9.095 ( -6.335 1.521 -1.034) 6.597 9.420 ( -7.712 3.720 -1.131) 8.637 9.763 ( -7.591 -10.442 0.182) 12.911 18.990 ( 1.634 4.177 -0.156) 4.488 19.119 ( 3.444 1.960 1.327) 4.179 19.243 ( 1.283 0.511 -1.575) 2.095 19.408 ( 5.172 -3.057 -3.139) 6.778 20.258 ( -1.398 3.908 -0.618) 4.196 20.439 ( -1.891 -3.949 -1.916) 4.779 20.687 ( 0.265 6.167 1.668) 6.394 20.883 ( 0.679 -3.305 0.603) 3.427 ======================= Grid point 210 (114/128) ======================= q-point: ( 0.33 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 10.514 3.312 -13.364) 17.324 1.757 ( 5.258 -13.958 -12.314) 19.342 2.153 ( 15.609 10.043 -3.355) 18.862 2.372 ( 3.643 4.255 9.497) 11.026 2.538 ( 4.475 -7.129 -6.944) 10.912 2.798 ( -0.154 -0.412 4.923) 4.942 2.923 ( 9.248 -6.580 7.431) 13.566 3.032 ( 0.451 -7.311 5.547) 9.188 3.117 ( 0.416 -2.264 9.436) 9.712 3.214 ( 2.722 -1.433 6.638) 7.316 3.378 ( -4.044 1.625 2.065) 4.823 3.412 ( -15.017 8.469 3.138) 17.523 3.504 ( -4.364 -3.984 -1.746) 6.162 3.631 ( -4.578 -0.131 5.650) 7.274 3.808 ( 3.765 5.950 -0.296) 7.048 3.968 ( 7.564 9.912 -7.723) 14.666 4.067 ( 0.070 -1.904 4.265) 4.672 4.123 ( 1.762 0.696 -0.438) 1.945 4.182 ( 6.871 0.372 2.912) 7.472 4.323 ( 6.192 0.903 -0.533) 6.280 4.361 ( 1.347 0.949 5.327) 5.576 4.450 ( 5.789 -10.289 -1.928) 11.962 4.507 ( -2.425 3.301 -6.073) 7.325 4.653 ( -1.563 3.619 0.160) 3.946 4.685 ( -1.311 1.241 -3.885) 4.284 4.787 ( -2.350 -0.204 1.605) 2.853 4.857 ( -6.477 -1.757 -2.830) 7.283 4.976 ( -1.798 -9.076 -0.583) 9.271 5.092 ( 0.063 0.635 -2.561) 2.640 5.153 ( -4.884 0.491 1.037) 5.017 5.357 ( 1.919 1.909 -0.504) 2.754 5.390 ( -0.471 -1.158 1.461) 1.922 5.706 ( 0.113 11.464 1.368) 11.545 5.784 ( -0.336 8.251 -3.699) 9.048 5.963 ( -7.142 2.154 -6.106) 9.640 6.074 ( -3.450 2.541 -1.776) 4.638 6.143 ( -2.860 0.145 -2.290) 3.667 6.219 ( 3.184 -0.502 -5.588) 6.451 6.445 ( 2.005 -0.492 1.793) 2.735 6.522 ( -1.366 -2.329 4.920) 5.613 6.578 ( 3.662 -6.620 -0.708) 7.598 6.662 ( 4.232 -8.200 1.739) 9.390 6.774 ( -4.150 1.521 -5.899) 7.371 6.891 ( -6.686 -4.768 -1.668) 8.380 7.042 ( 0.330 2.413 -4.993) 5.556 7.216 ( -0.968 -4.173 0.345) 4.298 7.301 ( -3.828 3.483 4.400) 6.793 7.415 ( -3.586 -2.046 2.928) 5.062 7.620 ( -4.964 6.872 1.622) 8.631 7.756 ( -1.319 -1.407 -1.893) 2.702 7.804 ( 3.803 -0.435 -0.191) 3.833 7.887 ( 3.168 -1.923 -0.713) 3.774 7.932 ( -1.579 3.954 0.328) 4.271 8.033 ( -3.362 -1.728 0.670) 3.839 8.091 ( 3.531 -1.469 3.191) 4.981 8.225 ( -2.750 -7.575 1.192) 8.146 8.395 ( 4.499 0.739 4.556) 6.445 8.439 ( 3.786 -1.542 0.753) 4.157 8.554 ( 6.580 2.255 4.524) 8.298 8.659 ( 4.933 -1.877 5.153) 7.376 8.846 ( -4.203 4.339 -0.352) 6.051 8.947 ( -6.580 0.164 -2.795) 7.151 9.273 ( -6.312 6.482 -2.839) 9.482 9.558 ( -11.356 -7.384 -4.000) 14.124 19.032 ( 2.146 4.442 1.177) 5.072 19.199 ( 2.738 -0.956 3.141) 4.275 19.240 ( 0.480 5.671 -3.424) 6.642 19.462 ( 3.215 -1.710 -4.955) 6.150 20.283 ( 2.923 1.514 2.589) 4.188 20.427 ( 0.936 -4.699 2.141) 5.248 20.685 ( -1.113 3.928 -0.607) 4.128 20.853 ( -3.348 -3.483 -1.153) 4.967 ======================= Grid point 211 (115/128) ======================= q-point: ( 0.44 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 7.941 -1.382 -6.165) 10.148 1.701 ( -3.395 -10.118 -8.570) 13.687 2.342 ( -0.539 2.252 6.234) 6.651 2.509 ( 7.680 2.180 -9.258) 12.225 2.612 ( 13.019 2.244 -1.102) 13.257 2.801 ( -4.500 2.501 7.018) 8.704 2.901 ( -10.324 0.557 1.119) 10.399 3.022 ( -8.268 4.637 -1.578) 9.610 3.161 ( 1.367 -11.319 2.248) 11.620 3.231 ( 1.901 -8.469 1.495) 8.808 3.341 ( -4.378 2.629 9.786) 11.038 3.409 ( 7.109 -3.746 11.418) 13.962 3.474 ( 0.273 -0.419 -0.314) 0.591 3.630 ( -2.177 -6.202 6.005) 8.903 3.882 ( -2.394 8.562 3.407) 9.521 4.005 ( 6.199 10.784 -11.176) 16.722 4.118 ( -1.902 1.400 3.067) 3.871 4.127 ( 4.495 1.789 -2.872) 5.626 4.319 ( -0.394 -1.698 8.823) 8.993 4.352 ( -2.397 0.373 3.623) 4.361 4.402 ( 3.501 -0.293 -3.638) 5.057 4.491 ( 6.188 1.510 -5.414) 8.359 4.607 ( 7.968 -5.365 -0.569) 9.623 4.621 ( -1.479 1.090 -1.284) 2.241 4.695 ( -1.885 2.088 2.716) 3.910 4.720 ( -1.211 4.470 0.857) 4.710 4.776 ( 0.524 -0.968 -2.542) 2.770 4.923 ( -5.701 -3.308 -4.277) 7.857 5.036 ( -0.371 -1.773 2.376) 2.988 5.124 ( -0.760 -4.961 -0.490) 5.043 5.362 ( 1.481 3.570 0.944) 3.979 5.453 ( 4.415 3.561 3.237) 6.530 5.671 ( -7.304 2.592 -6.665) 10.222 5.711 ( -2.362 2.397 -4.285) 5.448 5.786 ( -2.126 5.415 -1.223) 5.945 5.950 ( -4.295 -1.256 -4.301) 6.206 6.149 ( 1.561 5.981 -0.634) 6.214 6.218 ( 0.350 2.731 -3.162) 4.193 6.491 ( 1.258 -1.990 0.411) 2.390 6.529 ( -1.456 -1.712 0.413) 2.285 6.624 ( 0.781 -6.012 0.937) 6.135 6.658 ( -0.213 -4.477 -3.588) 5.742 6.757 ( 0.922 -1.061 1.461) 2.028 6.812 ( 0.252 -2.120 1.423) 2.566 7.043 ( 2.274 -0.838 -1.532) 2.867 7.155 ( -3.595 -3.410 -2.031) 5.355 7.277 ( -1.217 2.364 3.067) 4.059 7.369 ( -2.609 -1.951 -0.867) 3.372 7.568 ( -2.344 3.633 3.578) 5.612 7.705 ( -1.518 -1.284 -3.981) 4.450 7.816 ( 0.312 -3.309 0.004) 3.324 7.930 ( -0.472 -6.839 -2.958) 7.466 7.960 ( -0.117 1.133 4.901) 5.032 7.984 ( -0.023 2.019 2.621) 3.309 8.158 ( 2.122 -1.624 0.153) 2.677 8.194 ( -0.519 -2.860 -0.764) 3.006 8.528 ( 4.950 1.029 4.347) 6.668 8.554 ( 6.531 0.007 3.939) 7.627 8.689 ( -2.975 1.783 4.463) 5.652 8.735 ( 2.547 1.046 0.696) 2.840 8.790 ( -1.879 2.811 1.157) 3.574 8.864 ( 2.846 0.944 -0.120) 3.001 9.139 ( -3.979 3.604 -3.709) 6.525 9.294 ( -11.345 -3.991 -5.738) 13.325 19.085 ( 1.828 4.589 2.330) 5.462 19.196 ( -1.819 3.249 -2.040) 4.246 19.286 ( 2.917 2.625 2.431) 4.616 19.451 ( 0.151 -0.655 -6.197) 6.233 20.392 ( 5.013 0.510 4.351) 6.657 20.491 ( 1.763 -3.879 4.054) 5.882 20.645 ( -0.655 0.864 -2.774) 2.978 20.753 ( -4.509 -3.569 -3.368) 6.664 ======================= Grid point 212 (116/128) ======================= q-point: (-0.44 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( -13.742 -4.537 -1.797) 14.583 1.575 ( -2.707 -9.138 3.493) 10.151 2.330 ( -7.074 3.694 6.047) 10.013 2.494 ( -3.981 -2.041 -4.699) 6.488 2.615 ( -4.429 2.566 -3.335) 6.109 2.848 ( -0.464 -0.539 2.565) 2.662 2.943 ( 5.486 1.181 2.134) 6.004 2.970 ( 14.649 5.519 -2.886) 15.918 3.092 ( -5.938 -7.984 4.718) 11.012 3.328 ( 2.296 -1.978 0.060) 3.031 3.403 ( 5.031 -3.184 3.103) 6.713 3.466 ( -1.091 1.471 -0.029) 1.832 3.561 ( -7.090 -3.745 -2.541) 8.411 3.605 ( 4.010 -7.757 8.848) 12.431 3.758 ( -9.682 11.282 6.550) 16.246 4.038 ( -5.228 3.130 3.944) 7.258 4.085 ( 2.916 5.910 -9.607) 11.650 4.137 ( -2.790 -1.251 2.310) 3.832 4.306 ( -0.635 2.545 1.742) 3.149 4.372 ( -1.297 -2.040 2.846) 3.734 4.433 ( 0.017 1.753 -3.304) 3.741 4.516 ( 1.289 -1.354 -6.806) 7.058 4.555 ( -5.619 -4.280 2.240) 7.411 4.655 ( -4.635 1.928 -0.822) 5.087 4.726 ( 3.124 -0.655 1.238) 3.423 4.752 ( -1.936 4.742 -3.004) 5.938 4.772 ( 3.536 1.199 -3.000) 4.790 4.849 ( 8.058 2.872 1.607) 8.704 5.098 ( 1.532 -4.432 -2.088) 5.133 5.108 ( 3.677 -3.970 0.103) 5.412 5.423 ( -6.191 3.869 -3.182) 7.964 5.526 ( 6.019 1.109 2.980) 6.807 5.587 ( 1.752 2.494 -2.653) 4.040 5.598 ( 3.313 1.805 -0.699) 3.837 5.799 ( -3.096 2.475 1.437) 4.217 5.899 ( 4.712 -0.360 -1.205) 4.877 6.164 ( -2.253 5.202 -1.842) 5.961 6.189 ( 1.423 5.440 -0.604) 5.655 6.461 ( -4.431 -2.744 2.292) 5.693 6.537 ( 2.532 -4.926 0.129) 5.540 6.619 ( -0.728 -2.161 -0.059) 2.281 6.658 ( 0.272 -5.225 -1.901) 5.567 6.773 ( -1.136 2.502 2.024) 3.413 6.844 ( 2.637 -1.257 -3.391) 4.476 7.074 ( -2.701 -4.506 -3.674) 6.411 7.106 ( 4.342 -4.334 1.802) 6.394 7.323 ( 2.753 0.841 1.841) 3.417 7.334 ( 2.136 0.314 -0.643) 2.253 7.584 ( -0.046 0.388 6.568) 6.580 7.650 ( -0.341 1.552 -3.848) 4.163 7.812 ( -4.462 -7.292 3.008) 9.062 7.885 ( 1.185 -4.967 -0.669) 5.150 7.985 ( -0.519 3.617 2.263) 4.298 8.020 ( 0.635 0.980 0.222) 1.189 8.163 ( -0.702 -0.749 -1.195) 1.575 8.213 ( 3.533 -3.663 -2.525) 5.681 8.586 ( -5.302 1.463 -0.961) 5.584 8.623 ( -5.414 -0.115 -1.775) 5.698 8.664 ( 2.833 2.732 1.868) 4.356 8.718 ( 6.492 0.549 4.091) 7.693 8.849 ( -3.278 4.537 -3.007) 6.354 8.922 ( 3.693 1.811 -2.326) 4.725 9.079 ( -4.806 0.275 0.543) 4.844 9.167 ( 6.855 -3.434 5.500) 9.435 19.129 ( -1.079 5.011 0.830) 5.193 19.142 ( -0.329 4.737 -0.138) 4.750 19.344 ( 0.124 0.669 2.987) 3.064 19.386 ( -1.174 -0.696 -5.653) 5.816 20.445 ( -4.303 -0.117 0.201) 4.309 20.548 ( 4.952 -2.180 -1.110) 5.523 20.609 ( -3.888 -0.387 0.677) 3.965 20.726 ( 6.084 -3.265 -1.968) 7.180 ======================= Grid point 213 (117/128) ======================= q-point: (-0.33 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( -14.960 -0.371 6.329) 16.248 1.526 ( -6.006 -16.186 9.483) 19.697 2.060 ( -20.400 11.243 5.310) 23.890 2.439 ( -3.110 -3.935 2.851) 5.769 2.563 ( 0.642 -0.637 -8.593) 8.640 2.808 ( -5.954 -9.247 1.936) 11.167 2.982 ( -1.089 1.301 -0.052) 1.698 3.119 ( 4.225 1.133 3.422) 5.554 3.231 ( 3.431 4.536 -3.691) 6.780 3.298 ( -7.659 4.418 -1.831) 9.029 3.379 ( 0.850 -0.620 -1.690) 1.991 3.472 ( 0.556 0.033 3.257) 3.305 3.525 ( 9.313 1.011 -4.306) 10.310 3.670 ( -2.574 2.458 6.939) 7.799 3.738 ( 5.265 -5.483 -0.985) 7.665 3.906 ( -8.552 3.189 1.247) 9.212 4.008 ( -4.149 -0.584 3.525) 5.476 4.136 ( -2.962 3.044 -1.700) 4.575 4.239 ( -8.018 -0.598 4.197) 9.070 4.305 ( -2.840 1.897 0.593) 3.467 4.365 ( -9.019 -7.389 2.759) 11.981 4.485 ( -2.111 -3.853 -5.184) 6.795 4.514 ( 3.849 1.011 -6.504) 7.625 4.588 ( 3.849 -2.929 2.378) 5.390 4.719 ( 0.666 4.861 -3.500) 6.027 4.810 ( 2.926 4.922 0.706) 5.770 4.864 ( 5.639 -0.087 -2.573) 6.199 4.942 ( 1.316 -2.116 0.480) 2.538 5.084 ( 0.935 -3.781 -2.665) 4.719 5.193 ( 2.883 -1.111 -1.555) 3.458 5.350 ( -0.984 6.926 -1.091) 7.080 5.487 ( 0.692 -1.105 -6.802) 6.926 5.671 ( 2.034 7.196 6.369) 9.823 5.715 ( 1.834 3.412 0.934) 3.984 5.875 ( 8.086 2.912 2.297) 8.896 6.016 ( 6.996 0.459 2.104) 7.320 6.133 ( -0.739 4.404 1.282) 4.646 6.183 ( -0.531 0.765 -2.650) 2.809 6.405 ( -3.601 -0.375 4.255) 5.587 6.581 ( -0.050 -6.511 1.692) 6.728 6.599 ( -1.069 -3.535 -2.833) 4.654 6.655 ( 2.467 -3.407 -0.913) 4.304 6.733 ( -1.956 3.103 -0.652) 3.725 6.889 ( 5.030 -5.226 -1.189) 7.350 7.009 ( -1.233 -1.069 -2.032) 2.606 7.208 ( 3.345 -5.949 1.228) 6.934 7.370 ( 3.782 2.172 -2.490) 5.022 7.444 ( 5.629 -0.092 0.607) 5.663 7.650 ( 1.356 1.521 3.061) 3.677 7.655 ( 2.467 1.191 3.186) 4.202 7.761 ( -2.629 -3.445 4.211) 6.042 7.873 ( -2.806 -1.232 -1.071) 3.246 7.965 ( -1.303 4.492 -1.445) 4.895 8.041 ( 1.931 -2.119 0.390) 2.893 8.140 ( -0.718 -0.251 -1.868) 2.017 8.265 ( 3.306 -5.583 -2.424) 6.926 8.461 ( -5.898 0.731 -2.178) 6.330 8.483 ( -5.163 -0.830 -3.736) 6.427 8.643 ( -6.549 4.698 -3.122) 8.643 8.768 ( -3.223 -1.092 -4.627) 5.744 8.852 ( 3.548 2.264 0.215) 4.214 8.895 ( 5.351 0.366 0.082) 5.364 9.179 ( 6.578 5.090 6.276) 10.419 9.414 ( 10.750 -6.997 10.152) 16.358 19.063 ( -3.182 5.566 -1.654) 6.621 19.170 ( -0.390 5.528 3.001) 6.302 19.281 ( -2.959 -2.138 -4.225) 5.584 19.381 ( -0.818 -1.697 2.273) 2.952 20.339 ( -4.356 0.599 -2.720) 5.171 20.482 ( -4.143 -5.242 -2.533) 7.145 20.683 ( 5.438 4.600 -0.884) 7.177 20.846 ( 5.994 -2.115 -0.672) 6.392 ======================= Grid point 214 (118/128) ======================= q-point: (-0.22 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -7.128 1.969 14.871) 16.609 1.501 ( -4.424 -17.013 6.964) 18.908 1.755 ( -14.264 12.351 10.355) 21.522 2.344 ( -8.829 -11.855 1.944) 14.909 2.505 ( 0.528 2.032 -9.175) 9.412 2.665 ( -8.797 -6.090 1.350) 10.784 2.870 ( -10.615 6.753 -10.981) 16.699 3.041 ( -5.469 3.272 3.525) 7.283 3.162 ( -1.320 -0.189 1.069) 1.709 3.216 ( -10.764 -7.382 -8.094) 15.359 3.332 ( 2.065 3.900 0.592) 4.453 3.562 ( -0.598 10.085 6.568) 12.050 3.678 ( 6.587 -1.797 -3.101) 7.499 3.738 ( 0.170 2.372 0.474) 2.424 3.791 ( 4.767 2.530 1.153) 5.519 3.915 ( -5.669 -0.115 2.470) 6.185 3.939 ( 7.908 -3.832 2.652) 9.179 4.059 ( -2.893 2.812 0.403) 4.054 4.116 ( -5.192 -9.878 2.432) 11.422 4.268 ( -1.101 0.167 0.924) 1.446 4.277 ( -0.692 -0.519 -2.355) 2.509 4.404 ( -1.085 -4.473 0.868) 4.684 4.573 ( 3.903 7.313 -3.918) 9.168 4.700 ( 3.890 3.427 -0.325) 5.195 4.751 ( 5.230 -2.516 0.246) 5.809 4.791 ( -1.111 2.984 -1.841) 3.678 4.955 ( 3.967 -0.698 1.745) 4.390 5.010 ( 4.148 -3.222 1.622) 5.497 5.083 ( -0.819 -2.376 1.643) 3.003 5.215 ( -0.272 -0.688 1.156) 1.373 5.312 ( 0.060 5.104 -3.009) 5.925 5.494 ( 3.633 -5.159 -5.458) 8.343 5.712 ( -0.671 7.508 1.741) 7.736 5.744 ( 0.735 5.656 0.471) 5.723 5.972 ( 0.305 1.730 -1.653) 2.412 6.074 ( -5.561 0.260 1.799) 5.851 6.153 ( 2.238 5.061 1.026) 5.628 6.218 ( 4.740 0.262 0.894) 4.831 6.395 ( 0.784 -1.142 3.024) 3.327 6.532 ( -5.029 -6.970 1.492) 8.723 6.573 ( 0.660 -1.421 -2.121) 2.637 6.697 ( 5.265 -5.236 -5.926) 9.500 6.780 ( 3.466 5.299 4.754) 7.918 6.981 ( -0.292 2.550 -2.284) 3.436 7.042 ( 8.551 -6.542 2.688) 11.097 7.229 ( -0.001 -5.929 -1.554) 6.130 7.421 ( 3.098 3.327 -1.442) 4.769 7.512 ( 1.425 -0.524 -0.891) 1.761 7.663 ( -4.097 0.151 2.050) 4.584 7.729 ( -2.295 0.503 -0.537) 2.410 7.759 ( 5.090 3.420 2.292) 6.547 7.844 ( 1.768 0.396 1.642) 2.445 7.962 ( 1.523 4.468 0.401) 4.738 8.074 ( 1.045 -1.874 -0.165) 2.152 8.090 ( -2.072 0.512 -3.887) 4.434 8.287 ( 0.058 -7.407 -1.064) 7.484 8.349 ( -4.606 1.091 0.118) 4.734 8.379 ( -2.751 -1.480 -3.414) 4.627 8.496 ( -4.412 1.859 -4.700) 6.709 8.621 ( -5.686 -3.039 -6.103) 8.878 8.934 ( 4.322 5.259 0.090) 6.808 9.048 ( 6.736 1.014 3.663) 7.735 9.356 ( 7.058 4.068 5.205) 9.667 9.688 ( 9.224 -11.544 8.071) 16.837 18.993 ( -2.865 5.211 -0.458) 5.965 19.142 ( -3.371 5.690 -0.599) 6.641 19.222 ( -1.635 -4.444 0.281) 4.744 19.362 ( -2.236 -3.126 0.965) 3.963 20.265 ( -1.225 2.392 -1.192) 2.940 20.417 ( -1.312 -4.025 0.326) 4.246 20.747 ( 3.036 7.326 -4.437) 9.088 20.919 ( 2.445 -1.143 -2.723) 3.834 ======================= Grid point 215 (119/128) ======================= q-point: (-0.11 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 3.219 2.991 19.052) 19.552 1.448 ( -2.649 2.283 5.841) 6.808 1.711 ( -2.711 -5.132 11.038) 12.471 2.147 ( -9.039 -11.896 -6.664) 16.359 2.419 ( -4.996 -1.033 -7.202) 8.825 2.483 ( -6.547 4.248 -5.003) 9.271 2.632 ( -4.192 -6.607 -4.898) 9.231 2.910 ( -11.995 -11.603 -8.649) 18.796 2.991 ( -4.799 7.460 9.671) 13.123 3.155 ( 0.222 -2.012 -1.113) 2.310 3.374 ( -0.906 3.874 5.946) 7.154 3.571 ( -2.720 9.667 7.434) 12.494 3.699 ( -3.726 2.102 0.469) 4.303 3.724 ( -1.686 0.331 0.752) 1.875 3.764 ( -1.754 -4.759 -0.712) 5.122 3.900 ( -0.733 -3.961 -8.793) 9.671 3.970 ( 2.592 2.667 3.068) 4.821 4.127 ( 3.881 -3.909 -2.747) 6.155 4.146 ( -0.271 3.638 3.844) 5.299 4.268 ( 3.637 3.976 -6.386) 8.356 4.281 ( 4.927 3.617 -1.847) 6.385 4.452 ( -0.462 4.277 2.626) 5.040 4.612 ( 2.884 6.818 0.375) 7.412 4.728 ( 1.840 2.289 0.152) 2.941 4.838 ( 3.971 -1.909 2.183) 4.917 4.896 ( 7.714 -2.353 4.107) 9.050 5.021 ( 0.080 -2.285 3.052) 3.813 5.077 ( -1.694 -1.907 5.043) 5.651 5.138 ( 7.055 -3.062 3.586) 8.486 5.199 ( -0.494 -1.506 1.476) 2.166 5.346 ( 6.416 2.810 -3.998) 8.065 5.524 ( 1.383 -4.666 -2.734) 5.582 5.686 ( -2.031 3.031 -5.254) 6.397 5.715 ( -3.960 4.718 0.417) 6.174 5.890 ( -2.733 -0.793 -5.941) 6.587 5.967 ( -6.151 -2.656 -0.852) 6.754 6.178 ( -0.850 2.240 6.633) 7.052 6.286 ( 1.649 1.414 1.952) 2.920 6.441 ( -4.531 -7.231 2.124) 8.793 6.471 ( 2.961 -2.354 1.175) 3.961 6.603 ( 3.610 4.082 -2.913) 6.179 6.771 ( 5.894 -5.051 -5.040) 9.255 6.852 ( 0.150 6.531 -2.287) 6.922 6.970 ( 1.390 7.055 2.910) 7.757 7.077 ( -2.867 -3.838 -6.116) 7.769 7.315 ( 5.133 -6.696 1.566) 8.582 7.463 ( -1.243 2.609 1.603) 3.305 7.481 ( -0.191 3.635 1.365) 3.887 7.620 ( -0.380 0.330 0.320) 0.596 7.690 ( 0.885 -2.589 -0.571) 2.795 7.857 ( 1.542 4.148 -0.192) 4.430 7.893 ( 2.573 1.551 -0.255) 3.015 7.977 ( -0.174 1.729 -2.273) 2.861 8.039 ( -1.434 3.495 0.617) 3.828 8.100 ( 1.770 -1.310 1.920) 2.921 8.231 ( -4.385 -3.452 -0.419) 5.597 8.299 ( -1.852 -4.085 2.671) 5.220 8.323 ( -0.668 -1.224 -3.638) 3.896 8.411 ( -1.138 -0.563 -4.681) 4.850 8.482 ( -4.005 -3.916 -4.959) 7.481 9.024 ( 4.377 8.253 1.727) 9.500 9.162 ( 1.942 5.073 2.058) 5.809 9.540 ( 8.028 -2.360 5.275) 9.891 9.844 ( 1.565 -14.568 2.988) 14.954 18.957 ( -0.863 4.668 0.948) 4.841 19.070 ( -2.856 3.844 -1.510) 5.021 19.201 ( -1.282 -3.889 2.281) 4.687 19.318 ( -2.035 -4.339 -1.238) 4.950 20.289 ( 3.380 4.152 1.940) 5.694 20.436 ( 1.144 -2.547 3.323) 4.340 20.734 ( 0.421 8.776 -6.367) 10.851 20.893 ( -1.788 -0.378 -5.220) 5.530 ======================= Grid point 216 (120/128) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 7.022 -5.558 10.822) 14.047 1.513 ( 7.022 5.558 10.822) 14.047 1.755 ( -4.055 -8.200 -3.359) 9.745 1.755 ( -4.055 8.200 -3.359) 9.745 2.337 ( -2.053 -5.128 -1.141) 5.640 2.337 ( -2.053 5.128 -1.141) 5.640 2.503 ( -0.786 -7.154 -7.919) 10.701 2.503 ( -0.786 7.154 -7.919) 10.701 3.096 ( -0.924 -3.234 1.503) 3.684 3.096 ( -0.924 3.234 1.503) 3.684 3.541 ( -4.734 -7.977 12.568) 15.620 3.541 ( -4.734 7.977 12.568) 15.620 3.700 ( 0.306 -2.052 0.305) 2.097 3.700 ( 0.306 2.052 0.305) 2.097 3.757 ( 1.386 -1.127 -1.768) 2.513 3.757 ( 1.386 1.127 -1.768) 2.513 4.053 ( 2.480 -5.517 -5.220) 7.989 4.053 ( 2.480 5.517 -5.220) 7.989 4.262 ( -3.020 -5.873 0.783) 6.650 4.262 ( -3.020 5.873 0.783) 6.650 4.513 ( -1.339 -2.220 2.545) 3.633 4.513 ( -1.339 2.220 2.545) 3.633 4.789 ( -0.101 -9.546 2.445) 9.854 4.789 ( -0.101 9.546 2.445) 9.854 4.877 ( 5.073 -7.485 -0.875) 9.084 4.877 ( 5.073 7.485 -0.875) 9.084 5.017 ( -0.792 -2.294 -0.766) 2.545 5.017 ( -0.792 2.294 -0.766) 2.545 5.316 ( 7.195 -4.095 2.448) 8.634 5.316 ( 7.195 4.095 2.448) 8.634 5.465 ( -1.736 -0.547 -0.595) 1.915 5.465 ( -1.736 0.547 -0.595) 1.915 5.594 ( -4.008 -1.808 -5.229) 6.832 5.594 ( -4.008 1.808 -5.229) 6.832 5.807 ( 1.125 -2.994 -3.547) 4.776 5.807 ( 1.125 2.994 -3.547) 4.776 6.268 ( 1.328 -2.021 4.016) 4.688 6.268 ( 1.328 2.021 4.016) 4.688 6.423 ( -0.269 -2.231 0.324) 2.270 6.423 ( -0.269 2.231 0.324) 2.270 6.751 ( 0.886 -2.964 -0.111) 3.096 6.751 ( 0.886 2.964 -0.111) 3.096 6.859 ( -3.957 -4.721 -4.950) 7.902 6.859 ( -3.957 4.721 -4.950) 7.902 7.264 ( 2.218 -4.307 0.344) 4.857 7.264 ( 2.218 4.307 0.344) 4.857 7.481 ( 0.352 -2.405 1.720) 2.978 7.481 ( 0.352 2.405 1.720) 2.978 7.667 ( 0.045 -0.965 0.215) 0.990 7.667 ( 0.045 0.965 0.215) 0.990 7.866 ( -1.276 -1.032 -2.144) 2.700 7.866 ( -1.276 1.032 -2.144) 2.700 8.069 ( -0.214 -1.174 1.098) 1.622 8.069 ( -0.214 1.174 1.098) 1.622 8.151 ( 1.284 -0.505 5.148) 5.329 8.151 ( 1.284 0.505 5.148) 5.329 8.243 ( -1.546 -1.453 -3.318) 3.938 8.243 ( -1.546 1.453 -3.318) 3.938 8.356 ( -0.317 -1.231 -3.510) 3.733 8.356 ( -0.317 1.231 -3.510) 3.733 9.243 ( 0.121 -1.278 2.034) 2.405 9.243 ( 0.121 1.278 2.034) 2.405 9.631 ( -0.791 -1.628 2.612) 3.178 9.631 ( -0.791 1.628 2.612) 3.178 19.050 ( 0.073 -2.140 0.705) 2.254 19.050 ( 0.073 2.140 0.705) 2.254 19.190 ( 0.587 -2.793 -1.034) 3.036 19.190 ( 0.587 2.793 -1.034) 3.036 20.453 ( 1.796 -1.663 2.998) 3.870 20.453 ( 1.796 1.663 2.998) 3.870 20.780 ( -1.287 -1.762 -5.798) 6.195 20.780 ( -1.287 1.762 -5.798) 6.195 ======================= Grid point 218 (121/128) ======================= q-point: ( 0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -0.935 -5.070 -10.391) 11.600 1.551 ( -0.935 5.070 -10.391) 11.600 1.829 ( 9.020 -2.243 7.690) 12.064 1.829 ( 9.020 2.243 7.690) 12.064 2.392 ( 5.300 -3.259 -0.155) 6.223 2.392 ( 5.300 3.259 -0.155) 6.223 2.532 ( 7.199 -5.252 2.566) 9.274 2.532 ( 7.199 5.252 2.566) 9.274 3.077 ( -2.736 -1.660 2.017) 3.782 3.077 ( -2.736 1.660 2.017) 3.782 3.560 ( -2.743 -2.984 9.036) 9.904 3.560 ( -2.743 2.984 9.036) 9.904 3.729 ( 1.944 -1.975 1.881) 3.349 3.729 ( 1.944 1.975 1.881) 3.349 3.801 ( 4.430 -1.010 -1.033) 4.660 3.801 ( 4.430 1.010 -1.033) 4.660 4.057 ( 1.962 -5.680 -6.522) 8.868 4.057 ( 1.962 5.680 -6.522) 8.868 4.187 ( -4.966 -6.175 3.686) 8.740 4.187 ( -4.966 6.175 3.686) 8.740 4.418 ( -8.867 -8.319 2.093) 12.338 4.418 ( -8.867 8.319 2.093) 12.338 4.805 ( 0.850 -6.016 0.943) 6.148 4.805 ( 0.850 6.016 0.943) 6.148 4.911 ( -0.756 -0.496 -8.194) 8.244 4.911 ( -0.756 0.496 -8.194) 8.244 5.010 ( -0.824 -1.821 0.615) 2.091 5.010 ( -0.824 1.821 0.615) 2.091 5.257 ( -4.128 -4.389 -7.329) 9.488 5.257 ( -4.128 4.389 -7.329) 9.488 5.354 ( -6.694 -5.871 1.675) 9.060 5.354 ( -6.694 5.871 1.675) 9.060 5.700 ( 9.527 -4.165 2.444) 10.681 5.700 ( 9.527 4.165 2.444) 10.681 5.902 ( 8.675 -6.810 -1.875) 11.187 5.902 ( 8.675 6.810 -1.875) 11.187 6.317 ( 1.985 -2.530 -2.067) 3.823 6.317 ( 1.985 2.530 -2.067) 3.823 6.409 ( -1.126 -0.888 0.766) 1.625 6.409 ( -1.126 0.888 0.766) 1.625 6.628 ( -9.603 -2.888 0.742) 10.056 6.628 ( -9.603 2.888 0.742) 10.056 6.882 ( 3.478 -4.223 3.422) 6.453 6.882 ( 3.478 4.223 3.422) 6.453 7.228 ( -3.095 -7.315 -3.691) 8.759 7.228 ( -3.095 7.315 -3.691) 8.759 7.533 ( -0.002 -3.364 -0.110) 3.366 7.533 ( -0.002 3.364 -0.110) 3.366 7.635 ( -0.354 -1.437 0.374) 1.527 7.635 ( -0.354 1.437 0.374) 1.527 7.841 ( -0.881 -0.594 1.695) 2.001 7.841 ( -0.881 0.594 1.695) 2.001 8.080 ( -0.037 -5.201 0.449) 5.221 8.080 ( -0.037 5.201 0.449) 5.221 8.159 ( -3.246 -1.566 -1.316) 3.837 8.159 ( -3.246 1.566 -1.316) 3.837 8.238 ( 2.799 -1.741 2.194) 3.960 8.238 ( 2.799 1.741 2.194) 3.960 8.365 ( 2.820 -2.881 -0.050) 4.032 8.365 ( 2.820 2.881 -0.050) 4.032 9.186 ( -6.180 -5.132 0.373) 8.042 9.186 ( -6.180 5.132 0.373) 8.042 9.627 ( -1.839 -7.908 1.729) 8.301 9.627 ( -1.839 7.908 1.729) 8.301 19.054 ( 0.349 -3.133 0.159) 3.156 19.054 ( 0.349 3.133 0.159) 3.156 19.236 ( 4.644 -3.915 -1.452) 6.245 19.236 ( 4.644 3.915 -1.452) 6.245 20.435 ( -3.417 -3.978 -2.413) 5.773 20.435 ( -3.417 3.978 -2.413) 5.773 20.768 ( 1.545 -3.717 0.948) 4.135 20.768 ( 1.545 3.717 0.948) 4.135 ======================= Grid point 220 (122/128) ======================= q-point: ( 0.22 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 5.941 -9.483 -15.424) 19.056 1.496 ( 5.941 9.483 -15.424) 19.056 2.084 ( 12.206 -6.917 4.366) 14.694 2.084 ( 12.206 6.917 4.366) 14.694 2.488 ( 5.498 -7.522 -1.090) 9.381 2.488 ( 5.498 7.522 -1.090) 9.381 2.787 ( 10.296 -9.557 12.303) 18.674 2.787 ( 10.296 9.557 12.303) 18.674 3.032 ( -3.081 -0.718 4.100) 5.178 3.032 ( -3.081 0.718 4.100) 5.178 3.540 ( -4.372 -2.988 3.281) 6.230 3.540 ( -4.372 2.988 3.281) 6.230 3.782 ( -5.076 -4.950 4.691) 8.501 3.782 ( -5.076 4.950 4.691) 8.501 3.847 ( 0.323 -6.250 1.565) 6.451 3.847 ( 0.323 6.250 1.565) 6.451 4.045 ( 6.250 -1.176 -6.450) 9.058 4.045 ( 6.250 1.176 -6.450) 9.058 4.170 ( 1.285 -5.598 -1.048) 5.839 4.170 ( 1.285 5.598 -1.048) 5.839 4.299 ( -2.555 -4.295 2.590) 5.629 4.299 ( -2.555 4.295 2.590) 5.629 4.760 ( -6.017 -3.119 -8.809) 11.115 4.760 ( -6.017 3.119 -8.809) 11.115 4.827 ( -0.293 -6.836 1.185) 6.944 4.827 ( -0.293 6.836 1.185) 6.944 4.917 ( -5.395 -3.204 -2.847) 6.891 4.917 ( -5.395 3.204 -2.847) 6.891 5.178 ( -2.916 -3.449 -0.936) 4.613 5.178 ( -2.916 3.449 -0.936) 4.613 5.325 ( 2.161 -1.747 0.954) 2.938 5.325 ( 2.161 1.747 0.954) 2.938 5.847 ( 4.321 -4.329 -0.259) 6.122 5.847 ( 4.321 4.329 -0.259) 6.122 6.054 ( 7.473 -5.717 -2.266) 9.678 6.054 ( 7.473 5.717 -2.266) 9.678 6.255 ( -6.131 -3.589 -3.752) 8.034 6.255 ( -6.131 3.589 -3.752) 8.034 6.426 ( 1.881 -2.820 -0.141) 3.392 6.426 ( 1.881 2.820 -0.141) 3.392 6.500 ( -3.915 -0.560 5.039) 6.406 6.500 ( -3.915 0.560 5.039) 6.406 6.939 ( -1.820 -5.276 0.029) 5.582 6.939 ( -1.820 5.276 0.029) 5.582 7.139 ( -0.900 -6.071 -4.725) 7.746 7.139 ( -0.900 6.071 -4.725) 7.746 7.444 ( -6.576 -3.094 2.617) 7.724 7.444 ( -6.576 3.094 2.617) 7.724 7.701 ( 3.922 -1.970 0.066) 4.389 7.701 ( 3.922 1.970 0.066) 4.389 7.845 ( -0.766 -0.881 1.388) 1.814 7.845 ( -0.766 0.881 1.388) 1.814 8.058 ( -1.652 -6.229 -1.484) 6.613 8.058 ( -1.652 6.229 -1.484) 6.613 8.084 ( -3.334 -5.341 1.963) 6.595 8.084 ( -3.334 5.341 1.963) 6.595 8.320 ( 3.516 -2.115 2.127) 4.622 8.320 ( 3.516 2.115 2.127) 4.622 8.461 ( 5.706 -3.383 2.839) 7.216 8.461 ( 5.706 3.383 2.839) 7.216 9.050 ( -7.035 -4.877 -0.586) 8.580 9.050 ( -7.035 4.877 -0.586) 8.580 9.563 ( -5.434 -9.885 -0.792) 11.308 9.563 ( -5.434 9.885 -0.792) 11.308 19.077 ( 1.557 -4.465 1.054) 4.845 19.077 ( 1.557 4.465 1.054) 4.845 19.321 ( 5.286 -5.505 -2.929) 8.175 19.321 ( 5.286 5.505 -2.929) 8.175 20.349 ( -2.500 -5.162 -1.703) 5.983 20.349 ( -2.500 5.162 -1.703) 5.983 20.800 ( -0.387 -5.319 2.040) 5.710 20.800 ( -0.387 5.319 2.040) 5.710 ======================= Grid point 222 (123/128) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( 8.496 -9.119 -15.021) 19.519 1.528 ( 8.496 9.119 -15.021) 19.519 2.338 ( 10.038 -8.372 0.639) 13.086 2.338 ( 10.038 8.372 0.639) 13.086 2.596 ( 7.458 -13.009 -0.340) 14.999 2.596 ( 7.458 13.009 -0.340) 14.999 2.936 ( -2.517 -3.754 7.059) 8.382 2.936 ( -2.517 3.754 7.059) 8.382 3.149 ( 6.936 -4.567 12.370) 14.899 3.149 ( 6.936 4.567 12.370) 14.899 3.409 ( -11.164 -3.164 -2.120) 11.795 3.409 ( -11.164 3.164 -2.120) 11.795 3.584 ( -9.755 -5.967 5.016) 12.487 3.584 ( -9.755 5.967 5.016) 12.487 3.952 ( 5.346 -7.636 3.880) 10.097 3.952 ( 5.346 7.636 3.880) 10.097 4.141 ( 3.387 -1.031 -1.733) 3.942 4.141 ( 3.387 1.031 -1.733) 3.942 4.211 ( 6.909 -10.356 -5.657) 13.674 4.211 ( 6.909 10.356 -5.657) 13.674 4.361 ( 3.373 -1.485 4.596) 5.891 4.361 ( 3.373 1.485 4.596) 5.891 4.602 ( -1.649 -5.115 -8.153) 9.765 4.602 ( -1.649 5.115 -8.153) 9.765 4.796 ( -3.888 -3.523 -0.768) 5.302 4.796 ( -3.888 3.523 -0.768) 5.302 4.838 ( -1.653 -3.764 2.440) 4.781 4.838 ( -1.653 3.764 2.440) 4.781 5.116 ( -3.197 -2.641 -0.757) 4.215 5.116 ( -3.197 2.641 -0.757) 4.215 5.383 ( 2.868 -1.063 0.919) 3.194 5.383 ( 2.868 1.063 0.919) 3.194 5.863 ( -1.758 -2.477 -3.054) 4.308 5.863 ( -1.758 2.477 -3.054) 4.308 6.027 ( -8.056 -5.493 -4.943) 10.932 6.027 ( -8.056 5.493 -4.943) 10.932 6.187 ( 3.569 -3.561 -1.674) 5.312 6.187 ( 3.569 3.561 -1.674) 5.312 6.453 ( 0.843 -1.942 4.496) 4.969 6.453 ( 0.843 1.942 4.496) 4.969 6.544 ( 3.125 -3.412 -0.170) 4.630 6.544 ( 3.125 3.412 -0.170) 4.630 6.817 ( -5.615 -3.181 -3.644) 7.411 6.817 ( -5.615 3.181 -3.644) 7.411 7.123 ( 0.122 -5.170 -2.740) 5.853 7.123 ( 0.122 5.170 -2.740) 5.853 7.364 ( -4.172 -3.118 3.590) 6.325 7.364 ( -4.172 3.118 3.590) 6.325 7.724 ( -2.710 -2.973 0.278) 4.033 7.724 ( -2.710 2.973 0.278) 4.033 7.831 ( 0.759 -3.876 -2.684) 4.775 7.831 ( 0.759 3.876 -2.684) 4.775 7.994 ( -2.981 -2.323 1.111) 3.940 7.994 ( -2.981 2.323 1.111) 3.940 8.106 ( 1.821 -3.799 3.388) 5.406 8.106 ( 1.821 3.799 3.388) 5.406 8.412 ( 4.580 -1.139 2.533) 5.356 8.412 ( 4.580 1.139 2.533) 5.356 8.611 ( 6.077 -3.010 5.392) 8.664 8.611 ( 6.077 3.010 5.392) 8.664 8.919 ( -5.571 -2.882 -1.689) 6.496 8.919 ( -5.571 2.882 -1.689) 6.496 9.411 ( -8.055 -7.700 -3.747) 11.756 9.411 ( -8.055 7.700 -3.747) 11.756 19.124 ( 1.709 -4.810 2.397) 5.639 19.124 ( 1.709 4.810 2.397) 5.639 19.380 ( 3.596 -6.477 -4.582) 8.711 19.380 ( 3.596 6.477 -4.582) 8.711 20.339 ( 1.507 -4.140 1.926) 4.809 20.339 ( 1.507 4.140 1.926) 4.809 20.771 ( -3.277 -4.771 -0.093) 5.789 20.771 ( -3.277 4.771 -0.093) 5.789 ======================= Grid point 224 (124/128) ======================= q-point: ( 0.44 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 2.447 -4.448 -8.736) 10.104 1.555 ( 2.447 4.448 -8.736) 10.104 2.425 ( 1.296 -5.881 -1.644) 6.243 2.425 ( 1.296 5.881 -1.644) 6.243 2.788 ( 8.516 -8.643 -1.004) 12.176 2.788 ( 8.516 8.643 -1.004) 12.176 2.924 ( -1.847 -7.618 4.285) 8.934 2.924 ( -1.847 7.618 4.285) 8.934 3.119 ( -8.614 -5.210 -1.294) 10.150 3.119 ( -8.614 5.210 -1.294) 10.150 3.371 ( 1.975 -0.962 11.156) 11.370 3.371 ( 1.975 0.962 11.156) 11.370 3.525 ( -1.858 -4.650 4.074) 6.455 3.525 ( -1.858 4.650 4.074) 6.455 4.051 ( -0.516 -6.889 5.665) 8.934 4.051 ( -0.516 6.889 5.665) 8.934 4.150 ( -0.802 -3.314 -0.102) 3.411 4.150 ( -0.802 3.314 -0.102) 3.411 4.336 ( 5.790 -8.728 -2.472) 10.762 4.336 ( 5.790 8.728 -2.472) 10.762 4.403 ( 3.406 -1.355 -4.339) 5.680 4.403 ( 3.406 1.355 -4.339) 5.680 4.613 ( 4.302 -2.934 -3.788) 6.439 4.613 ( 4.302 2.934 -3.788) 6.439 4.739 ( -1.036 -2.228 2.218) 3.311 4.739 ( -1.036 2.228 2.218) 3.311 4.826 ( -2.032 -4.757 2.464) 5.729 4.826 ( -2.032 4.757 2.464) 5.729 5.048 ( -1.685 -2.429 -1.317) 3.236 5.048 ( -1.685 2.429 -1.317) 3.236 5.453 ( 2.563 -4.036 1.370) 4.973 5.453 ( 2.563 4.036 1.370) 4.973 5.714 ( -6.979 -2.635 -5.776) 9.435 5.714 ( -6.979 2.635 -5.776) 9.435 5.885 ( -2.945 -5.001 -3.861) 6.971 5.885 ( -2.945 5.001 -3.861) 6.971 6.243 ( 2.596 -2.197 -0.842) 3.503 6.243 ( 2.596 2.197 -0.842) 3.503 6.490 ( -1.468 -2.278 -0.691) 2.797 6.490 ( -1.468 2.278 -0.691) 2.797 6.562 ( 0.879 -3.235 1.599) 3.714 6.562 ( 0.879 3.235 1.599) 3.714 6.778 ( 1.911 -1.716 1.381) 2.917 6.778 ( 1.911 1.716 1.381) 2.917 7.081 ( -1.518 -3.832 -3.525) 5.424 7.081 ( -1.518 3.832 -3.525) 5.424 7.325 ( -1.964 -2.519 1.595) 3.570 7.325 ( -1.964 2.519 1.595) 3.570 7.655 ( -3.448 -4.513 1.035) 5.773 7.655 ( -3.448 4.513 1.035) 5.773 7.803 ( -0.992 -3.633 -3.212) 4.949 7.803 ( -0.992 3.633 -3.212) 4.949 8.001 ( 0.889 -1.315 3.840) 4.155 8.001 ( 0.889 1.315 3.840) 4.155 8.152 ( 1.298 -1.249 -0.369) 1.839 8.152 ( 1.298 1.249 -0.369) 1.839 8.545 ( 6.443 -0.767 3.894) 7.567 8.545 ( 6.443 0.767 3.894) 7.567 8.723 ( -2.254 -1.514 3.829) 4.694 8.723 ( -2.254 1.514 3.829) 4.694 8.849 ( 2.743 -2.315 0.130) 3.592 8.849 ( 2.743 2.315 0.130) 3.592 9.215 ( -8.025 -4.158 -5.207) 10.431 9.215 ( -8.025 4.158 -5.207) 10.431 19.171 ( 0.855 -3.828 2.812) 4.826 19.171 ( 0.855 3.828 2.812) 4.826 19.389 ( 1.070 -5.498 -4.690) 7.305 19.389 ( 1.070 5.498 -4.690) 7.305 20.424 ( 4.243 -2.804 3.927) 6.425 20.424 ( 4.243 2.804 3.927) 6.425 20.685 ( -3.991 -3.167 -2.565) 5.704 20.685 ( -3.991 3.167 -2.565) 5.704 ======================= Grid point 226 (125/128) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -8.795 -2.331 0.408) 9.108 1.458 ( -8.795 2.331 0.408) 9.108 2.424 ( -1.060 -4.932 -1.246) 5.197 2.424 ( -1.060 4.932 -1.246) 5.197 2.722 ( -9.963 -8.394 3.778) 13.565 2.722 ( -9.963 8.394 3.778) 13.565 2.974 ( 3.068 -1.971 0.350) 3.663 2.974 ( 3.068 1.971 0.350) 3.663 3.159 ( 12.295 -9.630 -5.406) 16.527 3.159 ( 12.295 9.630 -5.406) 16.527 3.472 ( -0.226 -5.796 9.376) 11.025 3.472 ( -0.226 5.796 9.376) 11.025 3.511 ( -0.742 -2.290 -1.152) 2.669 3.511 ( -0.742 2.290 -1.152) 2.669 3.993 ( -10.255 -9.810 8.662) 16.626 3.993 ( -10.255 9.810 8.662) 16.626 4.127 ( -3.057 -0.816 2.740) 4.185 4.127 ( -3.057 0.816 2.740) 4.185 4.340 ( -1.043 -1.641 -2.220) 2.951 4.340 ( -1.043 1.641 -2.220) 2.951 4.446 ( 4.144 -4.067 -9.492) 11.127 4.446 ( 4.144 4.067 -9.492) 11.127 4.583 ( -5.730 -4.545 -0.466) 7.329 4.583 ( -5.730 4.545 -0.466) 7.329 4.779 ( 1.382 -2.391 0.509) 2.808 4.779 ( 1.382 2.391 0.509) 2.808 4.851 ( 5.064 -3.239 -0.531) 6.035 4.851 ( 5.064 3.239 -0.531) 6.035 5.051 ( 2.121 -0.450 -1.661) 2.732 5.051 ( 2.121 0.450 -1.661) 2.732 5.498 ( 3.006 -3.169 -1.303) 4.558 5.498 ( 3.006 3.169 -1.303) 4.558 5.627 ( 0.375 -0.527 0.431) 0.777 5.627 ( 0.375 0.527 0.431) 0.777 5.846 ( 1.658 -3.344 -0.476) 3.763 5.846 ( 1.658 3.344 -0.476) 3.763 6.251 ( -1.295 -1.327 -1.368) 2.304 6.251 ( -1.295 1.327 -1.368) 2.304 6.452 ( -0.971 -2.702 1.644) 3.308 6.452 ( -0.971 2.702 1.644) 3.308 6.588 ( -0.121 -0.607 0.332) 0.702 6.588 ( -0.121 0.607 0.332) 0.702 6.820 ( 0.761 -1.765 -1.706) 2.570 6.820 ( 0.761 1.765 -1.706) 2.570 7.044 ( 0.545 -1.439 -1.051) 1.863 7.044 ( 0.545 1.439 -1.051) 1.863 7.337 ( 2.731 -0.315 0.748) 2.849 7.337 ( 2.731 0.315 0.748) 2.849 7.624 ( -1.730 -3.637 4.083) 5.736 7.624 ( -1.730 3.637 4.083) 5.736 7.782 ( 1.018 -4.101 -1.383) 4.446 7.782 ( 1.018 4.101 -1.383) 4.446 8.036 ( -0.140 -0.893 1.091) 1.417 8.036 ( -0.140 0.893 1.091) 1.417 8.160 ( 1.003 -1.232 -1.861) 2.446 8.160 ( 1.003 1.232 -1.861) 2.446 8.611 ( -5.965 -1.088 -2.108) 6.419 8.611 ( -5.965 1.088 -2.108) 6.419 8.708 ( 5.797 -1.591 3.163) 6.793 8.708 ( 5.797 1.591 3.163) 6.793 8.917 ( -2.077 -2.251 -2.909) 4.224 8.917 ( -2.077 2.251 -2.909) 4.224 9.108 ( 2.532 -2.586 3.648) 5.139 9.108 ( 2.532 2.586 3.648) 5.139 19.193 ( -0.382 -0.572 1.473) 1.626 19.193 ( -0.382 0.572 1.473) 1.626 19.358 ( -1.208 -1.466 -2.532) 3.165 19.358 ( -1.208 1.466 -2.532) 3.165 20.479 ( -2.632 -3.396 -0.592) 4.337 20.479 ( -2.632 3.396 -0.592) 4.337 20.655 ( 4.543 -3.722 -0.352) 5.884 20.655 ( 4.543 3.722 -0.352) 5.884 ======================= Grid point 228 (126/128) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( -11.317 -8.540 8.369) 16.464 1.280 ( -11.317 8.540 8.369) 16.464 2.296 ( -13.081 -11.340 4.230) 17.822 2.296 ( -13.081 11.340 4.230) 17.822 2.615 ( -1.786 -6.722 -2.462) 7.378 2.615 ( -1.786 6.722 -2.462) 7.378 3.054 ( 4.939 -4.490 -3.253) 7.425 3.054 ( 4.939 4.490 -3.253) 7.425 3.326 ( -3.641 -3.286 -4.597) 6.722 3.326 ( -3.641 3.286 -4.597) 6.722 3.407 ( 6.502 -3.019 -1.659) 7.358 3.407 ( 6.502 3.019 -1.659) 7.358 3.612 ( 6.117 -5.425 4.186) 9.185 3.612 ( 6.117 5.425 4.186) 9.185 3.850 ( -10.435 -10.161 9.175) 17.214 3.850 ( -10.435 10.161 9.175) 17.214 4.044 ( -7.479 -6.541 3.934) 10.686 4.044 ( -7.479 6.541 3.934) 10.686 4.262 ( -3.473 -4.746 -4.593) 7.462 4.262 ( -3.473 4.746 -4.593) 7.462 4.412 ( -7.653 -4.505 1.670) 9.037 4.412 ( -7.653 4.505 1.670) 9.037 4.526 ( 6.790 -1.856 -3.314) 7.780 4.526 ( 6.790 1.856 -3.314) 7.780 4.821 ( 3.537 -4.404 -2.791) 6.301 4.821 ( 3.537 4.404 -2.791) 6.301 4.904 ( 1.645 -2.409 -3.903) 4.873 4.904 ( 1.645 2.409 -3.903) 4.873 5.098 ( 2.881 -5.737 0.684) 6.457 5.098 ( 2.881 5.737 0.684) 6.457 5.458 ( -1.589 -3.412 -6.271) 7.314 5.458 ( -1.589 3.412 -6.271) 7.314 5.751 ( 3.607 -0.641 6.806) 7.729 5.751 ( 3.607 0.641 6.806) 7.729 5.957 ( 8.557 -5.245 2.198) 10.274 5.957 ( 8.557 5.245 2.198) 10.274 6.192 ( -2.597 -0.962 -1.369) 3.090 6.192 ( -2.597 0.962 -1.369) 3.090 6.455 ( -1.823 -5.283 2.986) 6.336 6.455 ( -1.823 5.283 2.986) 6.336 6.578 ( 0.611 -2.332 -2.631) 3.569 6.578 ( 0.611 2.332 -2.631) 3.569 6.801 ( 1.457 -3.973 -2.031) 4.694 6.801 ( 1.457 3.973 -2.031) 4.694 7.079 ( 1.629 -6.658 1.433) 7.003 7.079 ( 1.629 6.658 1.433) 7.003 7.416 ( 4.622 -2.404 -1.338) 5.379 7.416 ( 4.622 2.404 -1.338) 5.379 7.656 ( 0.620 -2.045 6.777) 7.106 7.656 ( 0.620 2.045 6.777) 7.106 7.806 ( 1.421 -5.442 -0.575) 5.654 7.806 ( 1.421 5.442 -0.575) 5.654 8.019 ( -0.411 -0.946 -0.981) 1.423 8.019 ( -0.411 0.946 -0.981) 1.423 8.167 ( 0.823 -3.653 -2.479) 4.491 8.167 ( 0.823 3.653 -2.479) 4.491 8.472 ( -5.510 -0.485 -3.505) 6.548 8.472 ( -5.510 0.485 -3.505) 6.548 8.724 ( -6.245 -3.421 -4.389) 8.365 8.724 ( -6.245 3.421 -4.389) 8.365 8.888 ( 5.484 -1.175 0.475) 5.629 8.888 ( 5.484 1.175 0.475) 5.629 9.286 ( 7.791 -6.167 8.449) 13.043 9.286 ( 7.791 6.167 8.449) 13.043 19.170 ( -2.149 -4.978 -1.241) 5.562 19.170 ( -2.149 4.978 -1.241) 5.562 19.314 ( -2.496 -4.768 0.925) 5.461 19.314 ( -2.496 4.768 0.925) 5.461 20.387 ( -3.650 -4.177 -2.556) 6.108 20.387 ( -3.650 4.177 -2.556) 6.108 20.777 ( 6.609 -4.729 -0.772) 8.163 20.777 ( 6.609 4.729 -0.772) 8.163 ======================= Grid point 230 (127/128) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( -4.506 -12.235 12.509) 18.069 1.200 ( -4.506 12.235 12.509) 18.069 2.055 ( -14.016 -16.862 5.390) 22.579 2.055 ( -14.016 16.862 5.390) 22.579 2.561 ( -1.153 -4.161 -6.584) 7.873 2.561 ( -1.153 4.161 -6.584) 7.873 3.032 ( -11.173 -9.295 -10.567) 17.970 3.032 ( -11.173 9.295 -10.567) 17.970 3.105 ( -1.418 -3.335 -2.733) 4.539 3.105 ( -1.418 3.335 -2.733) 4.539 3.553 ( 1.896 -11.666 3.433) 12.307 3.553 ( 1.896 11.666 3.433) 12.307 3.733 ( -5.303 -4.820 7.677) 10.502 3.733 ( -5.303 4.820 7.677) 10.502 3.817 ( 6.517 -5.311 2.397) 8.742 3.817 ( 6.517 5.311 2.397) 8.742 3.951 ( -3.697 -4.239 4.186) 7.011 3.951 ( -3.697 4.239 4.186) 7.011 4.188 ( 1.845 -6.740 -2.694) 7.490 4.188 ( 1.845 6.740 -2.694) 7.490 4.328 ( -1.769 -2.958 1.231) 3.660 4.328 ( -1.769 2.958 1.231) 3.660 4.659 ( 6.719 -3.245 -0.423) 7.473 4.659 ( 6.719 3.245 -0.423) 7.473 4.864 ( 1.673 -8.271 -1.859) 8.641 4.864 ( 1.673 8.271 -1.859) 8.641 4.896 ( 2.413 -6.448 -2.248) 7.242 4.896 ( 2.413 6.448 -2.248) 7.242 5.141 ( -0.301 -6.185 3.084) 6.918 5.141 ( -0.301 6.185 3.084) 6.918 5.406 ( 1.535 -4.273 -6.444) 7.882 5.406 ( 1.535 4.273 -6.444) 7.882 5.801 ( -1.709 -0.892 3.772) 4.236 5.801 ( -1.709 0.892 3.772) 4.236 6.025 ( -4.164 -3.852 0.341) 5.683 6.025 ( -4.164 3.852 0.341) 5.683 6.229 ( 5.720 -2.301 -0.546) 6.189 6.229 ( 5.720 2.301 -0.546) 6.189 6.404 ( -4.167 -3.701 2.015) 5.926 6.404 ( -4.167 3.701 2.015) 5.926 6.597 ( 4.738 -3.819 -4.545) 7.595 6.597 ( 4.738 3.819 -4.545) 7.595 6.900 ( 7.258 -7.055 2.961) 10.546 6.900 ( 7.258 7.055 2.961) 10.546 7.098 ( -0.072 -7.282 -0.303) 7.288 7.098 ( -0.072 7.282 -0.303) 7.288 7.479 ( 2.790 -2.626 -0.535) 3.869 7.479 ( 2.790 2.626 -0.535) 3.869 7.684 ( -3.044 -1.995 2.451) 4.388 7.684 ( -3.044 1.995 2.451) 4.388 7.844 ( 3.712 -1.734 0.399) 4.116 7.844 ( 3.712 1.734 0.399) 4.116 8.033 ( 1.237 -2.542 0.831) 2.946 8.033 ( 1.237 2.542 0.831) 2.946 8.142 ( -0.822 -5.907 -3.280) 6.807 8.142 ( -0.822 5.907 -3.280) 6.807 8.363 ( -3.340 -0.677 -2.367) 4.150 8.363 ( -3.340 0.677 -2.367) 4.150 8.556 ( -5.960 -3.667 -5.912) 9.160 8.556 ( -5.960 3.667 -5.912) 9.160 9.019 ( 6.384 -3.408 2.303) 7.594 9.019 ( 6.384 3.408 2.303) 7.594 9.486 ( 6.091 -9.129 6.923) 12.976 9.486 ( 6.091 9.129 6.923) 12.976 19.104 ( -3.070 -6.002 -1.379) 6.881 19.104 ( -3.070 6.002 -1.379) 6.881 19.272 ( -3.025 -5.909 1.512) 6.808 19.272 ( -3.025 5.909 1.512) 6.808 20.333 ( -0.427 -4.383 -0.114) 4.405 20.333 ( -0.427 4.383 -0.114) 4.405 20.864 ( 3.824 -4.630 -4.151) 7.300 20.864 ( 3.824 4.630 -4.151) 7.300 ======================= Grid point 232 (128/128) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.11e-04 2.11e-04 2.11e-04 2.11e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 4.279 -10.504 12.332) 16.755 1.297 ( 4.279 10.504 12.332) 16.755 1.872 ( -8.748 -14.897 4.294) 17.801 1.872 ( -8.748 14.897 4.294) 17.801 2.459 ( -3.426 -4.444 -8.763) 10.406 2.459 ( -3.426 4.444 -8.763) 10.406 2.689 ( -12.007 -10.278 -9.548) 18.466 2.689 ( -12.007 10.278 -9.548) 18.466 3.099 ( 0.030 -3.941 -0.081) 3.942 3.099 ( 0.030 3.941 -0.081) 3.942 3.557 ( -5.802 -12.474 11.344) 17.831 3.557 ( -5.802 12.474 11.344) 17.831 3.706 ( -0.673 -3.325 0.228) 3.400 3.706 ( -0.673 3.325 0.228) 3.400 3.780 ( -4.471 -4.196 1.465) 6.304 3.780 ( -4.471 4.196 1.465) 6.304 4.028 ( 4.329 -4.810 -2.907) 7.094 4.028 ( 4.329 4.810 -2.907) 7.094 4.266 ( 3.218 -3.716 -2.253) 5.407 4.266 ( 3.218 3.716 -2.253) 5.407 4.406 ( 8.396 -6.888 3.218) 11.327 4.406 ( 8.396 6.888 3.218) 11.327 4.739 ( 0.973 -5.762 4.042) 7.105 4.739 ( 0.973 5.762 4.042) 7.105 4.855 ( -0.135 -8.733 -1.612) 8.881 4.855 ( -0.135 8.733 -1.612) 8.881 4.993 ( 4.697 -5.000 1.927) 7.125 4.993 ( 4.697 5.000 1.927) 7.125 5.153 ( 1.797 -3.569 3.060) 5.033 5.153 ( 1.797 3.569 3.060) 5.033 5.430 ( 5.167 -4.822 -5.219) 8.785 5.430 ( 5.167 4.822 -5.219) 8.785 5.745 ( -5.492 -2.059 -1.212) 5.989 5.745 ( -5.492 2.059 -1.212) 5.989 5.907 ( -6.306 -2.730 -2.399) 7.278 5.907 ( -6.306 2.730 -2.399) 7.278 6.246 ( -2.340 -5.050 3.063) 6.353 6.246 ( -2.340 5.050 3.063) 6.353 6.406 ( 1.524 -3.535 0.965) 3.968 6.406 ( 1.524 3.535 0.965) 3.968 6.680 ( 6.175 -4.316 -3.301) 8.225 6.680 ( 6.175 4.316 -3.301) 8.225 6.980 ( -1.434 -6.264 -5.253) 8.300 6.980 ( -1.434 6.264 -5.253) 8.300 7.148 ( 5.853 -9.981 3.602) 12.118 7.148 ( 5.853 9.981 3.602) 12.118 7.504 ( -2.019 -1.165 2.745) 3.601 7.504 ( -2.019 1.165 2.745) 3.601 7.644 ( 0.435 -1.928 -0.705) 2.099 7.644 ( 0.435 1.928 -0.705) 2.099 7.895 ( 1.148 -1.446 -2.720) 3.287 7.895 ( 1.148 1.446 -2.720) 3.287 8.063 ( 0.842 -4.125 1.939) 4.635 8.063 ( 0.842 4.125 1.939) 4.635 8.109 ( -1.104 -5.493 1.570) 5.819 8.109 ( -1.104 5.493 1.570) 5.819 8.298 ( -1.899 -1.475 -2.353) 3.364 8.298 ( -1.899 1.475 -2.353) 3.364 8.423 ( -3.059 -2.009 -5.487) 6.595 8.423 ( -3.059 2.009 -5.487) 6.595 9.159 ( 5.580 -5.044 2.877) 8.053 9.159 ( 5.580 5.044 2.877) 8.053 9.605 ( 1.687 -9.245 4.122) 10.262 9.605 ( 1.687 9.245 4.122) 10.262 19.053 ( -1.393 -4.853 0.272) 5.056 19.053 ( -1.393 4.853 0.272) 5.056 19.221 ( -2.648 -5.129 0.000) 5.772 19.221 ( -2.648 5.129 0.000) 5.772 20.371 ( 2.770 -4.083 3.127) 5.841 20.371 ( 2.770 4.083 3.127) 5.841 20.856 ( -0.128 -3.933 -6.924) 7.964 20.856 ( -0.128 3.933 -6.924) 7.964 =================== 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 3/27216 10.0 289.127 226.237 332.533 0.000 77.503 0.000 3/27216 20.0 65.279 44.803 73.398 0.000 14.213 0.000 3/27216 30.0 24.598 17.056 26.900 0.000 4.645 0.000 3/27216 40.0 13.205 9.304 14.139 0.000 2.161 0.000 3/27216 50.0 8.562 6.135 9.042 0.000 1.239 0.000 3/27216 60.0 6.196 4.507 6.481 0.000 0.813 0.000 3/27216 70.0 4.812 3.543 4.997 0.000 0.587 0.000 3/27216 80.0 3.922 2.916 4.051 0.000 0.452 0.000 3/27216 90.0 3.309 2.480 3.404 0.000 0.366 0.000 3/27216 100.0 2.865 2.161 2.937 0.000 0.307 0.000 3/27216 110.0 2.530 1.918 2.586 0.000 0.265 0.000 3/27216 120.0 2.268 1.728 2.314 0.000 0.233 0.000 3/27216 130.0 2.058 1.574 2.096 0.000 0.209 0.000 3/27216 140.0 1.886 1.448 1.919 0.000 0.189 0.000 3/27216 150.0 1.743 1.342 1.771 0.000 0.173 0.000 3/27216 160.0 1.622 1.252 1.647 0.000 0.160 0.000 3/27216 170.0 1.518 1.175 1.541 0.000 0.149 0.000 3/27216 180.0 1.428 1.108 1.449 0.000 0.139 0.000 3/27216 190.0 1.349 1.049 1.369 0.000 0.131 0.000 3/27216 200.0 1.280 0.997 1.298 0.000 0.124 0.000 3/27216 210.0 1.218 0.950 1.235 0.000 0.117 0.000 3/27216 220.0 1.162 0.908 1.178 0.000 0.112 0.000 3/27216 230.0 1.112 0.871 1.127 0.000 0.107 0.000 3/27216 240.0 1.066 0.836 1.081 0.000 0.102 0.000 3/27216 250.0 1.024 0.805 1.039 0.000 0.098 0.000 3/27216 260.0 0.986 0.776 1.000 0.000 0.094 0.000 3/27216 270.0 0.951 0.749 0.965 0.000 0.091 0.000 3/27216 280.0 0.918 0.724 0.932 0.000 0.088 0.000 3/27216 290.0 0.888 0.701 0.901 0.000 0.085 0.000 3/27216 300.0 0.860 0.680 0.873 0.000 0.082 0.000 3/27216 310.0 0.834 0.660 0.846 0.000 0.080 0.000 3/27216 320.0 0.809 0.641 0.821 0.000 0.077 0.000 3/27216 330.0 0.786 0.623 0.798 0.000 0.075 0.000 3/27216 340.0 0.764 0.606 0.776 0.000 0.073 0.000 3/27216 350.0 0.744 0.591 0.755 0.000 0.071 0.000 3/27216 360.0 0.724 0.576 0.736 0.000 0.069 0.000 3/27216 370.0 0.706 0.561 0.717 0.000 0.067 0.000 3/27216 380.0 0.689 0.548 0.700 0.000 0.066 0.000 3/27216 390.0 0.672 0.535 0.683 0.000 0.064 0.000 3/27216 400.0 0.656 0.523 0.667 0.000 0.063 0.000 3/27216 410.0 0.641 0.511 0.652 0.000 0.061 0.000 3/27216 420.0 0.627 0.500 0.637 0.000 0.060 0.000 3/27216 430.0 0.613 0.489 0.623 0.000 0.059 0.000 3/27216 440.0 0.600 0.479 0.610 0.000 0.058 0.000 3/27216 450.0 0.588 0.469 0.597 0.000 0.056 0.000 3/27216 460.0 0.576 0.460 0.585 0.000 0.055 0.000 3/27216 470.0 0.564 0.451 0.574 0.000 0.054 0.000 3/27216 480.0 0.553 0.442 0.562 0.000 0.053 0.000 3/27216 490.0 0.543 0.434 0.552 0.000 0.052 0.000 3/27216 500.0 0.532 0.426 0.541 0.000 0.051 0.000 3/27216 510.0 0.523 0.418 0.531 0.000 0.050 0.000 3/27216 520.0 0.513 0.411 0.522 0.000 0.049 0.000 3/27216 530.0 0.504 0.404 0.512 0.000 0.049 0.000 3/27216 540.0 0.495 0.397 0.503 0.000 0.048 0.000 3/27216 550.0 0.487 0.390 0.495 0.000 0.047 0.000 3/27216 560.0 0.479 0.384 0.487 0.000 0.046 0.000 3/27216 570.0 0.471 0.377 0.478 0.000 0.045 0.000 3/27216 580.0 0.463 0.371 0.471 0.000 0.045 0.000 3/27216 590.0 0.455 0.365 0.463 0.000 0.044 0.000 3/27216 600.0 0.448 0.360 0.456 0.000 0.043 0.000 3/27216 610.0 0.441 0.354 0.449 0.000 0.043 0.000 3/27216 620.0 0.435 0.349 0.442 0.000 0.042 0.000 3/27216 630.0 0.428 0.343 0.435 0.000 0.041 0.000 3/27216 640.0 0.422 0.338 0.429 0.000 0.041 0.000 3/27216 650.0 0.415 0.334 0.422 0.000 0.040 0.000 3/27216 660.0 0.409 0.329 0.416 0.000 0.040 0.000 3/27216 670.0 0.404 0.324 0.410 0.000 0.039 0.000 3/27216 680.0 0.398 0.320 0.405 0.000 0.039 0.000 3/27216 690.0 0.392 0.315 0.399 0.000 0.038 0.000 3/27216 700.0 0.387 0.311 0.394 0.000 0.038 0.000 3/27216 710.0 0.382 0.307 0.388 0.000 0.037 0.000 3/27216 720.0 0.377 0.303 0.383 0.000 0.037 0.000 3/27216 730.0 0.372 0.299 0.378 0.000 0.036 0.000 3/27216 740.0 0.367 0.295 0.373 0.000 0.036 0.000 3/27216 750.0 0.362 0.291 0.368 0.000 0.035 0.000 3/27216 760.0 0.358 0.288 0.364 0.000 0.035 0.000 3/27216 770.0 0.353 0.284 0.359 0.000 0.034 0.000 3/27216 780.0 0.349 0.281 0.355 0.000 0.034 0.000 3/27216 790.0 0.345 0.277 0.350 0.000 0.034 0.000 3/27216 800.0 0.341 0.274 0.346 0.000 0.033 0.000 3/27216 810.0 0.337 0.271 0.342 0.000 0.033 0.000 3/27216 820.0 0.333 0.268 0.338 0.000 0.032 0.000 3/27216 830.0 0.329 0.264 0.334 0.000 0.032 0.000 3/27216 840.0 0.325 0.261 0.330 0.000 0.032 0.000 3/27216 850.0 0.321 0.259 0.327 0.000 0.031 0.000 3/27216 860.0 0.318 0.256 0.323 0.000 0.031 0.000 3/27216 870.0 0.314 0.253 0.319 0.000 0.031 0.000 3/27216 880.0 0.311 0.250 0.316 0.000 0.030 0.000 3/27216 890.0 0.307 0.247 0.312 0.000 0.030 0.000 3/27216 900.0 0.304 0.245 0.309 0.000 0.030 0.000 3/27216 910.0 0.301 0.242 0.306 0.000 0.029 0.000 3/27216 920.0 0.298 0.240 0.303 0.000 0.029 0.000 3/27216 930.0 0.295 0.237 0.299 0.000 0.029 0.000 3/27216 940.0 0.292 0.235 0.296 0.000 0.029 0.000 3/27216 950.0 0.289 0.232 0.293 0.000 0.028 0.000 3/27216 960.0 0.286 0.230 0.290 0.000 0.028 0.000 3/27216 970.0 0.283 0.228 0.287 0.000 0.028 0.000 3/27216 980.0 0.280 0.225 0.285 0.000 0.027 0.000 3/27216 990.0 0.277 0.223 0.282 0.000 0.027 0.000 3/27216 1000.0 0.275 0.221 0.279 0.000 0.027 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m967.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:48:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|