----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:22:34]------------------------- 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 2 1] 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 8.804131464890149 0.000000000000000 0.000000000000000 b 0.000000000000000 6.345407519999999 0.000000000000000 c -1.170701175371802 0.000000000000000 12.045832785934607 Atomic positions (fractional): *1 K 0.78849765248241 0.94646180343142 0.81732020362157 39.098 2 K 0.78849765248241 0.55353819656858 0.31732020362157 39.098 3 K 0.21150234751759 0.05353819656858 0.18267979637843 39.098 4 K 0.21150234751759 0.44646180343142 0.68267979637843 39.098 *5 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 6 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 *7 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 8 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 *9 Cl 0.67224168610545 0.74920653012201 0.56619611246375 35.453 *10 Cl 0.90841809421517 0.44529813305989 0.81857812085308 35.453 11 Cl 0.90841809421517 0.05470186694011 0.31857812085308 35.453 *12 Cl 0.50201789545903 0.14386529771097 0.67313902663025 35.453 *13 Cl 0.12720389005841 0.79377824984806 0.94930773575307 35.453 14 Cl 0.32775831389455 0.25079346987799 0.43380388753625 35.453 15 Cl 0.49798210454097 0.64386529771097 0.82686097336975 35.453 16 Cl 0.50201789545903 0.35613470228903 0.17313902663025 35.453 17 Cl 0.49798210454097 0.85613470228903 0.32686097336975 35.453 18 Cl 0.12720389005841 0.70622175015194 0.44930773575307 35.453 19 Cl 0.09158190578483 0.94529813305989 0.68142187914692 35.453 20 Cl 0.67224168610545 0.75079346987799 0.06619611246375 35.453 21 Cl 0.87279610994159 0.20622175015194 0.05069226424693 35.453 22 Cl 0.32775831389455 0.24920653012201 0.93380388753625 35.453 23 Cl 0.87279610994159 0.29377824984806 0.55069226424693 35.453 24 Cl 0.09158190578483 0.55470186694011 0.18142187914693 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.804131464890149 0.000000000000000 0.000000000000000 b 0.000000000000000 6.345407519999999 0.000000000000000 c -1.170701175371802 0.000000000000000 12.045832785934607 Atomic positions (fractional): *1 K 0.78849765248241 0.94646180343142 0.81732020362157 39.098 > 1 2 K 0.78849765248241 0.55353819656858 0.31732020362157 39.098 > 2 3 K 0.21150234751759 0.05353819656858 0.18267979637843 39.098 > 3 4 K 0.21150234751759 0.44646180343142 0.68267979637843 39.098 > 4 *5 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 5 6 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 > 6 *7 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 > 7 8 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 8 *9 Cl 0.67224168610545 0.74920653012201 0.56619611246375 35.453 > 9 *10 Cl 0.90841809421517 0.44529813305989 0.81857812085308 35.453 > 10 11 Cl 0.90841809421517 0.05470186694011 0.31857812085308 35.453 > 11 *12 Cl 0.50201789545903 0.14386529771097 0.67313902663025 35.453 > 12 *13 Cl 0.12720389005841 0.79377824984806 0.94930773575307 35.453 > 13 14 Cl 0.32775831389455 0.25079346987799 0.43380388753625 35.453 > 14 15 Cl 0.49798210454097 0.64386529771097 0.82686097336975 35.453 > 15 16 Cl 0.50201789545903 0.35613470228903 0.17313902663025 35.453 > 16 17 Cl 0.49798210454097 0.85613470228903 0.32686097336975 35.453 > 17 18 Cl 0.12720389005841 0.70622175015194 0.44930773575307 35.453 > 18 19 Cl 0.09158190578483 0.94529813305989 0.68142187914692 35.453 > 19 20 Cl 0.67224168610545 0.75079346987799 0.06619611246375 35.453 > 20 21 Cl 0.87279610994159 0.20622175015194 0.05069226424693 35.453 > 21 22 Cl 0.32775831389455 0.24920653012201 0.93380388753625 35.453 > 22 23 Cl 0.87279610994159 0.29377824984806 0.55069226424693 35.453 > 23 24 Cl 0.09158190578483 0.55470186694011 0.18142187914693 35.453 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.608262929780299 0.000000000000000 0.000000000000000 b 0.000000000000000 12.690815039999999 0.000000000000000 c -1.170701175371802 0.000000000000000 12.045832785934607 Atomic positions (fractional): *1 K 0.39424882624121 0.47323090171571 0.81732020362157 39.098 > 1 2 K 0.89424882624121 0.47323090171571 0.81732020362157 39.098 > 1 3 K 0.39424882624121 0.97323090171571 0.81732020362157 39.098 > 1 4 K 0.89424882624121 0.97323090171571 0.81732020362157 39.098 > 1 5 K 0.39424882624121 0.27676909828429 0.31732020362157 39.098 > 2 6 K 0.89424882624121 0.27676909828429 0.31732020362157 39.098 > 2 7 K 0.39424882624121 0.77676909828429 0.31732020362157 39.098 > 2 8 K 0.89424882624121 0.77676909828429 0.31732020362157 39.098 > 2 9 K 0.10575117375879 0.02676909828429 0.18267979637843 39.098 > 3 10 K 0.60575117375879 0.02676909828429 0.18267979637843 39.098 > 3 11 K 0.10575117375879 0.52676909828429 0.18267979637843 39.098 > 3 12 K 0.60575117375879 0.52676909828429 0.18267979637843 39.098 > 3 13 K 0.10575117375879 0.22323090171571 0.68267979637843 39.098 > 4 14 K 0.60575117375879 0.22323090171571 0.68267979637843 39.098 > 4 15 K 0.10575117375879 0.72323090171571 0.68267979637843 39.098 > 4 16 K 0.60575117375879 0.72323090171571 0.68267979637843 39.098 > 4 *17 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 5 18 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 5 19 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 5 20 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 5 21 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 6 22 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 6 23 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 6 24 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 6 *25 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 7 26 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 7 27 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 7 28 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 7 29 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 8 30 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 8 31 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 8 32 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 8 *33 Cl 0.33612084305273 0.37460326506101 0.56619611246375 35.453 > 9 34 Cl 0.83612084305273 0.37460326506101 0.56619611246375 35.453 > 9 35 Cl 0.33612084305273 0.87460326506101 0.56619611246375 35.453 > 9 36 Cl 0.83612084305273 0.87460326506101 0.56619611246375 35.453 > 9 *37 Cl 0.45420904710758 0.22264906652995 0.81857812085308 35.453 > 10 38 Cl 0.95420904710758 0.22264906652995 0.81857812085308 35.453 > 10 39 Cl 0.45420904710758 0.72264906652995 0.81857812085308 35.453 > 10 40 Cl 0.95420904710758 0.72264906652995 0.81857812085308 35.453 > 10 41 Cl 0.45420904710758 0.02735093347005 0.31857812085308 35.453 > 11 42 Cl 0.95420904710758 0.02735093347005 0.31857812085308 35.453 > 11 43 Cl 0.45420904710758 0.52735093347005 0.31857812085308 35.453 > 11 44 Cl 0.95420904710758 0.52735093347005 0.31857812085308 35.453 > 11 *45 Cl 0.25100894772951 0.07193264885549 0.67313902663025 35.453 > 12 46 Cl 0.75100894772951 0.07193264885549 0.67313902663025 35.453 > 12 47 Cl 0.25100894772951 0.57193264885549 0.67313902663025 35.453 > 12 48 Cl 0.75100894772951 0.57193264885549 0.67313902663025 35.453 > 12 *49 Cl 0.06360194502920 0.39688912492403 0.94930773575307 35.453 > 13 50 Cl 0.56360194502920 0.39688912492403 0.94930773575307 35.453 > 13 51 Cl 0.06360194502920 0.89688912492403 0.94930773575307 35.453 > 13 52 Cl 0.56360194502920 0.89688912492403 0.94930773575307 35.453 > 13 53 Cl 0.16387915694727 0.12539673493899 0.43380388753625 35.453 > 14 54 Cl 0.66387915694727 0.12539673493899 0.43380388753625 35.453 > 14 55 Cl 0.16387915694727 0.62539673493899 0.43380388753625 35.453 > 14 56 Cl 0.66387915694727 0.62539673493899 0.43380388753625 35.453 > 14 57 Cl 0.24899105227049 0.32193264885549 0.82686097336975 35.453 > 15 58 Cl 0.74899105227049 0.32193264885549 0.82686097336975 35.453 > 15 59 Cl 0.24899105227049 0.82193264885549 0.82686097336975 35.453 > 15 60 Cl 0.74899105227049 0.82193264885549 0.82686097336975 35.453 > 15 61 Cl 0.25100894772951 0.17806735114451 0.17313902663025 35.453 > 16 62 Cl 0.75100894772951 0.17806735114451 0.17313902663025 35.453 > 16 63 Cl 0.25100894772951 0.67806735114451 0.17313902663025 35.453 > 16 64 Cl 0.75100894772951 0.67806735114451 0.17313902663025 35.453 > 16 65 Cl 0.24899105227049 0.42806735114451 0.32686097336975 35.453 > 17 66 Cl 0.74899105227049 0.42806735114451 0.32686097336975 35.453 > 17 67 Cl 0.24899105227049 0.92806735114451 0.32686097336975 35.453 > 17 68 Cl 0.74899105227049 0.92806735114451 0.32686097336975 35.453 > 17 69 Cl 0.06360194502920 0.35311087507597 0.44930773575307 35.453 > 18 70 Cl 0.56360194502920 0.35311087507597 0.44930773575307 35.453 > 18 71 Cl 0.06360194502920 0.85311087507597 0.44930773575307 35.453 > 18 72 Cl 0.56360194502920 0.85311087507597 0.44930773575307 35.453 > 18 73 Cl 0.04579095289242 0.47264906652995 0.68142187914692 35.453 > 19 74 Cl 0.54579095289242 0.47264906652995 0.68142187914692 35.453 > 19 75 Cl 0.04579095289242 0.97264906652995 0.68142187914692 35.453 > 19 76 Cl 0.54579095289242 0.97264906652995 0.68142187914692 35.453 > 19 77 Cl 0.33612084305273 0.37539673493899 0.06619611246375 35.453 > 20 78 Cl 0.83612084305273 0.37539673493899 0.06619611246375 35.453 > 20 79 Cl 0.33612084305273 0.87539673493899 0.06619611246375 35.453 > 20 80 Cl 0.83612084305273 0.87539673493899 0.06619611246375 35.453 > 20 81 Cl 0.43639805497080 0.10311087507597 0.05069226424693 35.453 > 21 82 Cl 0.93639805497080 0.10311087507597 0.05069226424693 35.453 > 21 83 Cl 0.43639805497080 0.60311087507597 0.05069226424693 35.453 > 21 84 Cl 0.93639805497080 0.60311087507597 0.05069226424693 35.453 > 21 85 Cl 0.16387915694727 0.12460326506101 0.93380388753625 35.453 > 22 86 Cl 0.66387915694727 0.12460326506101 0.93380388753625 35.453 > 22 87 Cl 0.16387915694727 0.62460326506101 0.93380388753625 35.453 > 22 88 Cl 0.66387915694727 0.62460326506101 0.93380388753625 35.453 > 22 89 Cl 0.43639805497080 0.14688912492403 0.55069226424693 35.453 > 23 90 Cl 0.93639805497080 0.14688912492403 0.55069226424693 35.453 > 23 91 Cl 0.43639805497080 0.64688912492403 0.55069226424693 35.453 > 23 92 Cl 0.93639805497080 0.64688912492403 0.55069226424693 35.453 > 23 93 Cl 0.04579095289242 0.27735093347005 0.18142187914693 35.453 > 24 94 Cl 0.54579095289242 0.27735093347005 0.18142187914693 35.453 > 24 95 Cl 0.04579095289242 0.77735093347005 0.18142187914693 35.453 > 24 96 Cl 0.54579095289242 0.77735093347005 0.18142187914693 35.453 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0353405 0.0000000 0.0845368 0.0000000 3.4276337 0.0000000 0.0845366 0.0000000 3.9410386 -------------------------- Born effective charges -------------------------- 1 K 1.2047049 0.1260760 0.0674419 0.0970277 1.2413786 -0.0428526 0.0207811 -0.1019103 1.3315827 2 K 1.2047049 -0.1260760 0.0674419 -0.0970277 1.2413786 0.0428526 0.0207811 0.1019103 1.3315827 3 K 1.2047049 0.1260760 0.0674419 0.0970277 1.2413786 -0.0428526 0.0207811 -0.1019103 1.3315827 4 K 1.2047049 -0.1260760 0.0674419 -0.0970277 1.2413786 0.0428526 0.0207811 0.1019103 1.3315827 5 Au 1.1233096 -0.5137914 -0.0784180 -0.7736950 1.2725292 0.0707780 0.0580364 0.2330464 1.4255927 6 Au 1.1233096 0.5137914 -0.0784180 0.7736950 1.2725292 -0.0707780 0.0580364 -0.2330464 1.4255927 7 Au 1.1116842 0.6790767 0.4234599 0.7473098 1.0348301 0.0657794 0.3153596 -0.1225084 1.6307598 8 Au 1.1116842 -0.6790767 0.4234599 -0.7473098 1.0348301 -0.0657794 0.3153596 0.1225084 1.6307598 9 Cl -0.9841673 0.3906311 -0.2395630 0.4704144 -0.7328514 0.4100650 -0.1581146 0.2631076 -0.3961739 10 Cl -0.3753786 0.0730820 -0.1716307 -0.0120619 -0.2909955 -0.1482423 -0.2031831 -0.0770791 -0.9692740 11 Cl -0.3753786 -0.0730820 -0.1716307 0.0120619 -0.2909955 0.1482423 -0.2031831 0.0770791 -0.9692740 12 Cl -0.3651989 0.0220988 0.0388307 0.0191823 -0.3384335 -0.2807591 -0.0277629 -0.2458335 -1.0994783 13 Cl -0.5974571 -0.3210095 0.1324003 -0.3075959 -1.0327779 0.3069593 0.1815815 0.3294477 -0.3948328 14 Cl -0.9841673 0.3906311 -0.2395630 0.4704144 -0.7328514 0.4100650 -0.1581146 0.2631076 -0.3961739 15 Cl -0.3651989 -0.0220988 0.0388307 -0.0191823 -0.3384335 0.2807591 -0.0277629 0.2458335 -1.0994783 16 Cl -0.3651989 -0.0220988 0.0388307 -0.0191823 -0.3384335 0.2807591 -0.0277629 0.2458335 -1.0994783 17 Cl -0.3651989 0.0220988 0.0388307 0.0191823 -0.3384335 -0.2807591 -0.0277629 -0.2458335 -1.0994783 18 Cl -0.5974571 0.3210095 0.1324003 0.3075959 -1.0327779 -0.3069593 0.1815815 -0.3294477 -0.3948328 19 Cl -0.3753786 -0.0730820 -0.1716307 0.0120619 -0.2909955 0.1482423 -0.2031831 0.0770791 -0.9692740 20 Cl -0.9841673 -0.3906311 -0.2395630 -0.4704144 -0.7328514 -0.4100650 -0.1581146 -0.2631076 -0.3961739 21 Cl -0.5974571 -0.3210095 0.1324003 -0.3075959 -1.0327779 0.3069593 0.1815815 0.3294477 -0.3948328 22 Cl -0.9841673 -0.3906311 -0.2395630 -0.4704144 -0.7328514 -0.4100650 -0.1581146 -0.2631076 -0.3961739 23 Cl -0.5974571 0.3210095 0.1324003 0.3075959 -1.0327779 -0.3069593 0.1815815 -0.3294477 -0.3948328 24 Cl -0.3753786 0.0730820 -0.1716307 -0.0120619 -0.2909955 -0.1482423 -0.2031831 -0.0770791 -0.9692740 ---------------------------------------------------------------------------- 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: 2718 Number of blocks in projector: 2718 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: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 236 eigenvectors found. (2) Block: 500 / 580 (2) 237 eigenvectors found. (2) Block: 580 / 580 (2) 74 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 236 eigenvectors found. (2) Block: 500 / 580 (2) 237 eigenvectors found. (2) Block: 580 / 580 (2) 74 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 237 eigenvectors found. (2) Block: 500 / 580 (2) 241 eigenvectors found. (2) Block: 580 / 580 (2) 73 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 567 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: 326 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 326 Use standard eigh solver. Tree of FC basis block matrices: - (2718, 2656), data: False |-- (326, 319), data: True |-- (326, 319), data: True |-- (326, 319), data: True |-- (580, 567), data: False |-- (580, 567), data: False |-- (580, 16), data: (580, 29) @ (29, 16) |-- (80, 73), data: True |-- (250, 241), data: True |-- (250, 237), data: True |-- (580, 566), data: False |-- (580, 566), data: False |-- (580, 19), data: (580, 33) @ (33, 19) |-- (80, 74), data: True |-- (250, 237), data: True |-- (250, 236), data: True |-- (580, 566), data: False |-- (580, 566), data: False |-- (580, 19), data: (580, 33) @ (33, 19) |-- (80, 74), data: True |-- (250, 237), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.708 Solver_block: 200 / 720 - Time: 0.634 Solver_block: 300 / 720 - Time: 0.628 Solver_block: 400 / 720 - Time: 0.647 Solver_block: 500 / 720 - Time: 0.639 Solver_block: 600 / 720 - Time: 0.630 Solver_block: 700 / 720 - Time: 0.640 Solver_block: 720 / 720 - Time: 0.229 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.861 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) 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: 2718 Number of blocks in projector: 2718 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: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 236 eigenvectors found. (2) Block: 500 / 580 (2) 237 eigenvectors found. (2) Block: 580 / 580 (2) 74 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 236 eigenvectors found. (2) Block: 500 / 580 (2) 237 eigenvectors found. (2) Block: 580 / 580 (2) 74 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 580 Use submatrix version of eigh solver. (1) Block: 580 / 580 (2) Block: 250 / 580 (2) 237 eigenvectors found. (2) Block: 500 / 580 (2) 241 eigenvectors found. (2) Block: 580 / 580 (2) 73 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 567 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: 326 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 326 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 326 Use standard eigh solver. Tree of FC basis block matrices: - (2718, 2656), data: False |-- (326, 319), data: True |-- (326, 319), data: True |-- (326, 319), data: True |-- (580, 567), data: False |-- (580, 567), data: False |-- (580, 16), data: (580, 29) @ (29, 16) |-- (80, 73), data: True |-- (250, 241), data: True |-- (250, 237), data: True |-- (580, 566), data: False |-- (580, 566), data: False |-- (580, 19), data: (580, 33) @ (33, 19) |-- (80, 74), data: True |-- (250, 237), data: True |-- (250, 236), data: True |-- (580, 566), data: False |-- (580, 566), data: False |-- (580, 19), data: (580, 33) @ (33, 19) |-- (80, 74), data: True |-- (250, 237), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:23:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:23:05]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.804131464890149 0.000000000000000 0.000000000000000 b 0.000000000000000 6.345407519999999 0.000000000000000 c -1.170701175371802 0.000000000000000 12.045832785934607 Atomic positions (fractional): 1 K 0.78849765248241 0.94646180343142 0.81732020362157 39.098 2 K 0.78849765248241 0.55353819656858 0.31732020362157 39.098 3 K 0.21150234751759 0.05353819656858 0.18267979637843 39.098 4 K 0.21150234751759 0.44646180343142 0.68267979637843 39.098 5 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 6 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 7 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 8 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 9 Cl 0.67224168610545 0.74920653012201 0.56619611246375 35.453 10 Cl 0.90841809421517 0.44529813305989 0.81857812085308 35.453 11 Cl 0.90841809421517 0.05470186694011 0.31857812085308 35.453 12 Cl 0.50201789545903 0.14386529771097 0.67313902663025 35.453 13 Cl 0.12720389005841 0.79377824984806 0.94930773575307 35.453 14 Cl 0.32775831389455 0.25079346987799 0.43380388753625 35.453 15 Cl 0.49798210454097 0.64386529771097 0.82686097336975 35.453 16 Cl 0.50201789545903 0.35613470228903 0.17313902663025 35.453 17 Cl 0.49798210454097 0.85613470228903 0.32686097336975 35.453 18 Cl 0.12720389005841 0.70622175015194 0.44930773575307 35.453 19 Cl 0.09158190578483 0.94529813305989 0.68142187914692 35.453 20 Cl 0.67224168610545 0.75079346987799 0.06619611246375 35.453 21 Cl 0.87279610994159 0.20622175015194 0.05069226424693 35.453 22 Cl 0.32775831389455 0.24920653012201 0.93380388753625 35.453 23 Cl 0.87279610994159 0.29377824984806 0.55069226424693 35.453 24 Cl 0.09158190578483 0.55470186694011 0.18142187914693 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.608262929780299 0.000000000000000 0.000000000000000 b 0.000000000000000 12.690815039999999 0.000000000000000 c -1.170701175371802 0.000000000000000 12.045832785934607 Atomic positions (fractional): 1 K 0.39424882624121 0.47323090171571 0.81732020362157 39.098 > 1 2 K 0.89424882624121 0.47323090171571 0.81732020362157 39.098 > 1 3 K 0.39424882624121 0.97323090171571 0.81732020362157 39.098 > 1 4 K 0.89424882624121 0.97323090171571 0.81732020362157 39.098 > 1 5 K 0.39424882624121 0.27676909828429 0.31732020362157 39.098 > 5 6 K 0.89424882624121 0.27676909828429 0.31732020362157 39.098 > 5 7 K 0.39424882624121 0.77676909828429 0.31732020362157 39.098 > 5 8 K 0.89424882624121 0.77676909828429 0.31732020362157 39.098 > 5 9 K 0.10575117375879 0.02676909828429 0.18267979637843 39.098 > 9 10 K 0.60575117375879 0.02676909828429 0.18267979637843 39.098 > 9 11 K 0.10575117375879 0.52676909828429 0.18267979637843 39.098 > 9 12 K 0.60575117375879 0.52676909828429 0.18267979637843 39.098 > 9 13 K 0.10575117375879 0.22323090171571 0.68267979637843 39.098 > 13 14 K 0.60575117375879 0.22323090171571 0.68267979637843 39.098 > 13 15 K 0.10575117375879 0.72323090171571 0.68267979637843 39.098 > 13 16 K 0.60575117375879 0.72323090171571 0.68267979637843 39.098 > 13 17 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 17 18 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 17 19 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 17 20 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 17 21 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 21 22 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 21 23 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 21 24 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 21 25 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 25 26 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 25 27 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 25 28 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 25 29 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 29 30 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 29 31 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 29 32 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 29 33 Cl 0.33612084305273 0.37460326506101 0.56619611246375 35.453 > 33 34 Cl 0.83612084305273 0.37460326506101 0.56619611246375 35.453 > 33 35 Cl 0.33612084305273 0.87460326506101 0.56619611246375 35.453 > 33 36 Cl 0.83612084305273 0.87460326506101 0.56619611246375 35.453 > 33 37 Cl 0.45420904710758 0.22264906652995 0.81857812085308 35.453 > 37 38 Cl 0.95420904710758 0.22264906652995 0.81857812085308 35.453 > 37 39 Cl 0.45420904710758 0.72264906652995 0.81857812085308 35.453 > 37 40 Cl 0.95420904710758 0.72264906652995 0.81857812085308 35.453 > 37 41 Cl 0.45420904710758 0.02735093347005 0.31857812085308 35.453 > 41 42 Cl 0.95420904710758 0.02735093347005 0.31857812085308 35.453 > 41 43 Cl 0.45420904710758 0.52735093347005 0.31857812085308 35.453 > 41 44 Cl 0.95420904710758 0.52735093347005 0.31857812085308 35.453 > 41 45 Cl 0.25100894772951 0.07193264885549 0.67313902663025 35.453 > 45 46 Cl 0.75100894772951 0.07193264885549 0.67313902663025 35.453 > 45 47 Cl 0.25100894772951 0.57193264885549 0.67313902663025 35.453 > 45 48 Cl 0.75100894772951 0.57193264885549 0.67313902663025 35.453 > 45 49 Cl 0.06360194502920 0.39688912492403 0.94930773575307 35.453 > 49 50 Cl 0.56360194502920 0.39688912492403 0.94930773575307 35.453 > 49 51 Cl 0.06360194502920 0.89688912492403 0.94930773575307 35.453 > 49 52 Cl 0.56360194502920 0.89688912492403 0.94930773575307 35.453 > 49 53 Cl 0.16387915694727 0.12539673493899 0.43380388753625 35.453 > 53 54 Cl 0.66387915694727 0.12539673493899 0.43380388753625 35.453 > 53 55 Cl 0.16387915694727 0.62539673493899 0.43380388753625 35.453 > 53 56 Cl 0.66387915694727 0.62539673493899 0.43380388753625 35.453 > 53 57 Cl 0.24899105227049 0.32193264885549 0.82686097336975 35.453 > 57 58 Cl 0.74899105227049 0.32193264885549 0.82686097336975 35.453 > 57 59 Cl 0.24899105227049 0.82193264885549 0.82686097336975 35.453 > 57 60 Cl 0.74899105227049 0.82193264885549 0.82686097336975 35.453 > 57 61 Cl 0.25100894772951 0.17806735114451 0.17313902663025 35.453 > 61 62 Cl 0.75100894772951 0.17806735114451 0.17313902663025 35.453 > 61 63 Cl 0.25100894772951 0.67806735114451 0.17313902663025 35.453 > 61 64 Cl 0.75100894772951 0.67806735114451 0.17313902663025 35.453 > 61 65 Cl 0.24899105227049 0.42806735114451 0.32686097336975 35.453 > 65 66 Cl 0.74899105227049 0.42806735114451 0.32686097336975 35.453 > 65 67 Cl 0.24899105227049 0.92806735114451 0.32686097336975 35.453 > 65 68 Cl 0.74899105227049 0.92806735114451 0.32686097336975 35.453 > 65 69 Cl 0.06360194502920 0.35311087507597 0.44930773575307 35.453 > 69 70 Cl 0.56360194502920 0.35311087507597 0.44930773575307 35.453 > 69 71 Cl 0.06360194502920 0.85311087507597 0.44930773575307 35.453 > 69 72 Cl 0.56360194502920 0.85311087507597 0.44930773575307 35.453 > 69 73 Cl 0.04579095289242 0.47264906652995 0.68142187914692 35.453 > 73 74 Cl 0.54579095289242 0.47264906652995 0.68142187914692 35.453 > 73 75 Cl 0.04579095289242 0.97264906652995 0.68142187914692 35.453 > 73 76 Cl 0.54579095289242 0.97264906652995 0.68142187914692 35.453 > 73 77 Cl 0.33612084305273 0.37539673493899 0.06619611246375 35.453 > 77 78 Cl 0.83612084305273 0.37539673493899 0.06619611246375 35.453 > 77 79 Cl 0.33612084305273 0.87539673493899 0.06619611246375 35.453 > 77 80 Cl 0.83612084305273 0.87539673493899 0.06619611246375 35.453 > 77 81 Cl 0.43639805497080 0.10311087507597 0.05069226424693 35.453 > 81 82 Cl 0.93639805497080 0.10311087507597 0.05069226424693 35.453 > 81 83 Cl 0.43639805497080 0.60311087507597 0.05069226424693 35.453 > 81 84 Cl 0.93639805497080 0.60311087507597 0.05069226424693 35.453 > 81 85 Cl 0.16387915694727 0.12460326506101 0.93380388753625 35.453 > 85 86 Cl 0.66387915694727 0.12460326506101 0.93380388753625 35.453 > 85 87 Cl 0.16387915694727 0.62460326506101 0.93380388753625 35.453 > 85 88 Cl 0.66387915694727 0.62460326506101 0.93380388753625 35.453 > 85 89 Cl 0.43639805497080 0.14688912492403 0.55069226424693 35.453 > 89 90 Cl 0.93639805497080 0.14688912492403 0.55069226424693 35.453 > 89 91 Cl 0.43639805497080 0.64688912492403 0.55069226424693 35.453 > 89 92 Cl 0.93639805497080 0.64688912492403 0.55069226424693 35.453 > 89 93 Cl 0.04579095289242 0.27735093347005 0.18142187914693 35.453 > 93 94 Cl 0.54579095289242 0.27735093347005 0.18142187914693 35.453 > 93 95 Cl 0.04579095289242 0.77735093347005 0.18142187914693 35.453 > 93 96 Cl 0.54579095289242 0.77735093347005 0.18142187914693 35.453 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0353405 0.0000000 0.0845368 0.0000000 3.4276337 0.0000000 0.0845366 0.0000000 3.9410386 -------------------------- Born effective charges -------------------------- 1 K 1.2047049 0.1260760 0.0674419 0.0970277 1.2413786 -0.0428526 0.0207811 -0.1019103 1.3315827 2 K 1.2047049 -0.1260760 0.0674419 -0.0970277 1.2413786 0.0428526 0.0207811 0.1019103 1.3315827 3 K 1.2047049 0.1260760 0.0674419 0.0970277 1.2413786 -0.0428526 0.0207811 -0.1019103 1.3315827 4 K 1.2047049 -0.1260760 0.0674419 -0.0970277 1.2413786 0.0428526 0.0207811 0.1019103 1.3315827 5 Au 1.1233096 -0.5137914 -0.0784180 -0.7736950 1.2725292 0.0707780 0.0580364 0.2330464 1.4255927 6 Au 1.1233096 0.5137914 -0.0784180 0.7736950 1.2725292 -0.0707780 0.0580364 -0.2330464 1.4255927 7 Au 1.1116842 0.6790767 0.4234599 0.7473098 1.0348301 0.0657794 0.3153596 -0.1225084 1.6307598 8 Au 1.1116842 -0.6790767 0.4234599 -0.7473098 1.0348301 -0.0657794 0.3153596 0.1225084 1.6307598 9 Cl -0.9841673 0.3906311 -0.2395630 0.4704144 -0.7328514 0.4100650 -0.1581146 0.2631076 -0.3961739 10 Cl -0.3753786 0.0730820 -0.1716307 -0.0120619 -0.2909955 -0.1482423 -0.2031831 -0.0770791 -0.9692740 11 Cl -0.3753786 -0.0730820 -0.1716307 0.0120619 -0.2909955 0.1482423 -0.2031831 0.0770791 -0.9692740 12 Cl -0.3651989 0.0220988 0.0388307 0.0191823 -0.3384335 -0.2807591 -0.0277629 -0.2458335 -1.0994783 13 Cl -0.5974571 -0.3210095 0.1324003 -0.3075959 -1.0327779 0.3069593 0.1815815 0.3294477 -0.3948328 14 Cl -0.9841673 0.3906311 -0.2395630 0.4704144 -0.7328514 0.4100650 -0.1581146 0.2631076 -0.3961739 15 Cl -0.3651989 -0.0220988 0.0388307 -0.0191823 -0.3384335 0.2807591 -0.0277629 0.2458335 -1.0994783 16 Cl -0.3651989 -0.0220988 0.0388307 -0.0191823 -0.3384335 0.2807591 -0.0277629 0.2458335 -1.0994783 17 Cl -0.3651989 0.0220988 0.0388307 0.0191823 -0.3384335 -0.2807591 -0.0277629 -0.2458335 -1.0994783 18 Cl -0.5974571 0.3210095 0.1324003 0.3075959 -1.0327779 -0.3069593 0.1815815 -0.3294477 -0.3948328 19 Cl -0.3753786 -0.0730820 -0.1716307 0.0120619 -0.2909955 0.1482423 -0.2031831 0.0770791 -0.9692740 20 Cl -0.9841673 -0.3906311 -0.2395630 -0.4704144 -0.7328514 -0.4100650 -0.1581146 -0.2631076 -0.3961739 21 Cl -0.5974571 -0.3210095 0.1324003 -0.3075959 -1.0327779 0.3069593 0.1815815 0.3294477 -0.3948328 22 Cl -0.9841673 -0.3906311 -0.2395630 -0.4704144 -0.7328514 -0.4100650 -0.1581146 -0.2631076 -0.3961739 23 Cl -0.5974571 0.3210095 0.1324003 0.3075959 -1.0327779 -0.3069593 0.1815815 -0.3294477 -0.3948328 24 Cl -0.3753786 0.0730820 -0.1716307 -0.0120619 -0.2909955 -0.1482423 -0.2031831 -0.0770791 -0.9692740 ---------------------------------------------------------------------------- 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 33, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 37, 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] 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] [-0.0010 0.0000 0.0100] [ 0.0010 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyx) -0.00000000 (yyx) -0.00000000 (yxy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) 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 18:23:29]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:23:30]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.804131464890149 0.000000000000000 0.000000000000000 b 0.000000000000000 6.345407519999999 0.000000000000000 c -1.170701175371802 0.000000000000000 12.045832785934607 Atomic positions (fractional): 1 K 0.78849765248241 0.94646180343142 0.81732020362157 39.098 2 K 0.78849765248241 0.55353819656858 0.31732020362157 39.098 3 K 0.21150234751759 0.05353819656858 0.18267979637843 39.098 4 K 0.21150234751759 0.44646180343142 0.68267979637843 39.098 5 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 6 Au 0.00000000000000 0.50000000000000 0.00000000000000 196.967 7 Au 0.50000000000000 0.50000000000000 0.00000000000000 196.967 8 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 9 Cl 0.67224168610545 0.74920653012201 0.56619611246375 35.453 10 Cl 0.90841809421517 0.44529813305989 0.81857812085308 35.453 11 Cl 0.90841809421517 0.05470186694011 0.31857812085308 35.453 12 Cl 0.50201789545903 0.14386529771097 0.67313902663025 35.453 13 Cl 0.12720389005841 0.79377824984806 0.94930773575307 35.453 14 Cl 0.32775831389455 0.25079346987799 0.43380388753625 35.453 15 Cl 0.49798210454097 0.64386529771097 0.82686097336975 35.453 16 Cl 0.50201789545903 0.35613470228903 0.17313902663025 35.453 17 Cl 0.49798210454097 0.85613470228903 0.32686097336975 35.453 18 Cl 0.12720389005841 0.70622175015194 0.44930773575307 35.453 19 Cl 0.09158190578483 0.94529813305989 0.68142187914692 35.453 20 Cl 0.67224168610545 0.75079346987799 0.06619611246375 35.453 21 Cl 0.87279610994159 0.20622175015194 0.05069226424693 35.453 22 Cl 0.32775831389455 0.24920653012201 0.93380388753625 35.453 23 Cl 0.87279610994159 0.29377824984806 0.55069226424693 35.453 24 Cl 0.09158190578483 0.55470186694011 0.18142187914693 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.608262929780299 0.000000000000000 0.000000000000000 b 0.000000000000000 12.690815039999999 0.000000000000000 c -1.170701175371802 0.000000000000000 12.045832785934607 Atomic positions (fractional): 1 K 0.39424882624121 0.47323090171571 0.81732020362157 39.098 > 1 2 K 0.89424882624121 0.47323090171571 0.81732020362157 39.098 > 1 3 K 0.39424882624121 0.97323090171571 0.81732020362157 39.098 > 1 4 K 0.89424882624121 0.97323090171571 0.81732020362157 39.098 > 1 5 K 0.39424882624121 0.27676909828429 0.31732020362157 39.098 > 5 6 K 0.89424882624121 0.27676909828429 0.31732020362157 39.098 > 5 7 K 0.39424882624121 0.77676909828429 0.31732020362157 39.098 > 5 8 K 0.89424882624121 0.77676909828429 0.31732020362157 39.098 > 5 9 K 0.10575117375879 0.02676909828429 0.18267979637843 39.098 > 9 10 K 0.60575117375879 0.02676909828429 0.18267979637843 39.098 > 9 11 K 0.10575117375879 0.52676909828429 0.18267979637843 39.098 > 9 12 K 0.60575117375879 0.52676909828429 0.18267979637843 39.098 > 9 13 K 0.10575117375879 0.22323090171571 0.68267979637843 39.098 > 13 14 K 0.60575117375879 0.22323090171571 0.68267979637843 39.098 > 13 15 K 0.10575117375879 0.72323090171571 0.68267979637843 39.098 > 13 16 K 0.60575117375879 0.72323090171571 0.68267979637843 39.098 > 13 17 Au 0.00000000000000 0.00000000000000 0.50000000000000 196.967 > 17 18 Au 0.50000000000000 0.00000000000000 0.50000000000000 196.967 > 17 19 Au 0.00000000000000 0.50000000000000 0.50000000000000 196.967 > 17 20 Au 0.50000000000000 0.50000000000000 0.50000000000000 196.967 > 17 21 Au 0.00000000000000 0.25000000000000 0.00000000000000 196.967 > 21 22 Au 0.50000000000000 0.25000000000000 0.00000000000000 196.967 > 21 23 Au 0.00000000000000 0.75000000000000 0.00000000000000 196.967 > 21 24 Au 0.50000000000000 0.75000000000000 0.00000000000000 196.967 > 21 25 Au 0.25000000000000 0.25000000000000 0.00000000000000 196.967 > 25 26 Au 0.75000000000000 0.25000000000000 0.00000000000000 196.967 > 25 27 Au 0.25000000000000 0.75000000000000 0.00000000000000 196.967 > 25 28 Au 0.75000000000000 0.75000000000000 0.00000000000000 196.967 > 25 29 Au 0.25000000000000 0.00000000000000 0.50000000000000 196.967 > 29 30 Au 0.75000000000000 0.00000000000000 0.50000000000000 196.967 > 29 31 Au 0.25000000000000 0.50000000000000 0.50000000000000 196.967 > 29 32 Au 0.75000000000000 0.50000000000000 0.50000000000000 196.967 > 29 33 Cl 0.33612084305273 0.37460326506101 0.56619611246375 35.453 > 33 34 Cl 0.83612084305273 0.37460326506101 0.56619611246375 35.453 > 33 35 Cl 0.33612084305273 0.87460326506101 0.56619611246375 35.453 > 33 36 Cl 0.83612084305273 0.87460326506101 0.56619611246375 35.453 > 33 37 Cl 0.45420904710758 0.22264906652995 0.81857812085308 35.453 > 37 38 Cl 0.95420904710758 0.22264906652995 0.81857812085308 35.453 > 37 39 Cl 0.45420904710758 0.72264906652995 0.81857812085308 35.453 > 37 40 Cl 0.95420904710758 0.72264906652995 0.81857812085308 35.453 > 37 41 Cl 0.45420904710758 0.02735093347005 0.31857812085308 35.453 > 41 42 Cl 0.95420904710758 0.02735093347005 0.31857812085308 35.453 > 41 43 Cl 0.45420904710758 0.52735093347005 0.31857812085308 35.453 > 41 44 Cl 0.95420904710758 0.52735093347005 0.31857812085308 35.453 > 41 45 Cl 0.25100894772951 0.07193264885549 0.67313902663025 35.453 > 45 46 Cl 0.75100894772951 0.07193264885549 0.67313902663025 35.453 > 45 47 Cl 0.25100894772951 0.57193264885549 0.67313902663025 35.453 > 45 48 Cl 0.75100894772951 0.57193264885549 0.67313902663025 35.453 > 45 49 Cl 0.06360194502920 0.39688912492403 0.94930773575307 35.453 > 49 50 Cl 0.56360194502920 0.39688912492403 0.94930773575307 35.453 > 49 51 Cl 0.06360194502920 0.89688912492403 0.94930773575307 35.453 > 49 52 Cl 0.56360194502920 0.89688912492403 0.94930773575307 35.453 > 49 53 Cl 0.16387915694727 0.12539673493899 0.43380388753625 35.453 > 53 54 Cl 0.66387915694727 0.12539673493899 0.43380388753625 35.453 > 53 55 Cl 0.16387915694727 0.62539673493899 0.43380388753625 35.453 > 53 56 Cl 0.66387915694727 0.62539673493899 0.43380388753625 35.453 > 53 57 Cl 0.24899105227049 0.32193264885549 0.82686097336975 35.453 > 57 58 Cl 0.74899105227049 0.32193264885549 0.82686097336975 35.453 > 57 59 Cl 0.24899105227049 0.82193264885549 0.82686097336975 35.453 > 57 60 Cl 0.74899105227049 0.82193264885549 0.82686097336975 35.453 > 57 61 Cl 0.25100894772951 0.17806735114451 0.17313902663025 35.453 > 61 62 Cl 0.75100894772951 0.17806735114451 0.17313902663025 35.453 > 61 63 Cl 0.25100894772951 0.67806735114451 0.17313902663025 35.453 > 61 64 Cl 0.75100894772951 0.67806735114451 0.17313902663025 35.453 > 61 65 Cl 0.24899105227049 0.42806735114451 0.32686097336975 35.453 > 65 66 Cl 0.74899105227049 0.42806735114451 0.32686097336975 35.453 > 65 67 Cl 0.24899105227049 0.92806735114451 0.32686097336975 35.453 > 65 68 Cl 0.74899105227049 0.92806735114451 0.32686097336975 35.453 > 65 69 Cl 0.06360194502920 0.35311087507597 0.44930773575307 35.453 > 69 70 Cl 0.56360194502920 0.35311087507597 0.44930773575307 35.453 > 69 71 Cl 0.06360194502920 0.85311087507597 0.44930773575307 35.453 > 69 72 Cl 0.56360194502920 0.85311087507597 0.44930773575307 35.453 > 69 73 Cl 0.04579095289242 0.47264906652995 0.68142187914692 35.453 > 73 74 Cl 0.54579095289242 0.47264906652995 0.68142187914692 35.453 > 73 75 Cl 0.04579095289242 0.97264906652995 0.68142187914692 35.453 > 73 76 Cl 0.54579095289242 0.97264906652995 0.68142187914692 35.453 > 73 77 Cl 0.33612084305273 0.37539673493899 0.06619611246375 35.453 > 77 78 Cl 0.83612084305273 0.37539673493899 0.06619611246375 35.453 > 77 79 Cl 0.33612084305273 0.87539673493899 0.06619611246375 35.453 > 77 80 Cl 0.83612084305273 0.87539673493899 0.06619611246375 35.453 > 77 81 Cl 0.43639805497080 0.10311087507597 0.05069226424693 35.453 > 81 82 Cl 0.93639805497080 0.10311087507597 0.05069226424693 35.453 > 81 83 Cl 0.43639805497080 0.60311087507597 0.05069226424693 35.453 > 81 84 Cl 0.93639805497080 0.60311087507597 0.05069226424693 35.453 > 81 85 Cl 0.16387915694727 0.12460326506101 0.93380388753625 35.453 > 85 86 Cl 0.66387915694727 0.12460326506101 0.93380388753625 35.453 > 85 87 Cl 0.16387915694727 0.62460326506101 0.93380388753625 35.453 > 85 88 Cl 0.66387915694727 0.62460326506101 0.93380388753625 35.453 > 85 89 Cl 0.43639805497080 0.14688912492403 0.55069226424693 35.453 > 89 90 Cl 0.93639805497080 0.14688912492403 0.55069226424693 35.453 > 89 91 Cl 0.43639805497080 0.64688912492403 0.55069226424693 35.453 > 89 92 Cl 0.93639805497080 0.64688912492403 0.55069226424693 35.453 > 89 93 Cl 0.04579095289242 0.27735093347005 0.18142187914693 35.453 > 93 94 Cl 0.54579095289242 0.27735093347005 0.18142187914693 35.453 > 93 95 Cl 0.04579095289242 0.77735093347005 0.18142187914693 35.453 > 93 96 Cl 0.54579095289242 0.77735093347005 0.18142187914693 35.453 > 93 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0353405 0.0000000 0.0845368 0.0000000 3.4276337 0.0000000 0.0845366 0.0000000 3.9410386 -------------------------- Born effective charges -------------------------- 1 K 1.2047049 0.1260760 0.0674419 0.0970277 1.2413786 -0.0428526 0.0207811 -0.1019103 1.3315827 2 K 1.2047049 -0.1260760 0.0674419 -0.0970277 1.2413786 0.0428526 0.0207811 0.1019103 1.3315827 3 K 1.2047049 0.1260760 0.0674419 0.0970277 1.2413786 -0.0428526 0.0207811 -0.1019103 1.3315827 4 K 1.2047049 -0.1260760 0.0674419 -0.0970277 1.2413786 0.0428526 0.0207811 0.1019103 1.3315827 5 Au 1.1233096 -0.5137914 -0.0784180 -0.7736950 1.2725292 0.0707780 0.0580364 0.2330464 1.4255927 6 Au 1.1233096 0.5137914 -0.0784180 0.7736950 1.2725292 -0.0707780 0.0580364 -0.2330464 1.4255927 7 Au 1.1116842 0.6790767 0.4234599 0.7473098 1.0348301 0.0657794 0.3153596 -0.1225084 1.6307598 8 Au 1.1116842 -0.6790767 0.4234599 -0.7473098 1.0348301 -0.0657794 0.3153596 0.1225084 1.6307598 9 Cl -0.9841673 0.3906311 -0.2395630 0.4704144 -0.7328514 0.4100650 -0.1581146 0.2631076 -0.3961739 10 Cl -0.3753786 0.0730820 -0.1716307 -0.0120619 -0.2909955 -0.1482423 -0.2031831 -0.0770791 -0.9692740 11 Cl -0.3753786 -0.0730820 -0.1716307 0.0120619 -0.2909955 0.1482423 -0.2031831 0.0770791 -0.9692740 12 Cl -0.3651989 0.0220988 0.0388307 0.0191823 -0.3384335 -0.2807591 -0.0277629 -0.2458335 -1.0994783 13 Cl -0.5974571 -0.3210095 0.1324003 -0.3075959 -1.0327779 0.3069593 0.1815815 0.3294477 -0.3948328 14 Cl -0.9841673 0.3906311 -0.2395630 0.4704144 -0.7328514 0.4100650 -0.1581146 0.2631076 -0.3961739 15 Cl -0.3651989 -0.0220988 0.0388307 -0.0191823 -0.3384335 0.2807591 -0.0277629 0.2458335 -1.0994783 16 Cl -0.3651989 -0.0220988 0.0388307 -0.0191823 -0.3384335 0.2807591 -0.0277629 0.2458335 -1.0994783 17 Cl -0.3651989 0.0220988 0.0388307 0.0191823 -0.3384335 -0.2807591 -0.0277629 -0.2458335 -1.0994783 18 Cl -0.5974571 0.3210095 0.1324003 0.3075959 -1.0327779 -0.3069593 0.1815815 -0.3294477 -0.3948328 19 Cl -0.3753786 -0.0730820 -0.1716307 0.0120619 -0.2909955 0.1482423 -0.2031831 0.0770791 -0.9692740 20 Cl -0.9841673 -0.3906311 -0.2395630 -0.4704144 -0.7328514 -0.4100650 -0.1581146 -0.2631076 -0.3961739 21 Cl -0.5974571 -0.3210095 0.1324003 -0.3075959 -1.0327779 0.3069593 0.1815815 0.3294477 -0.3948328 22 Cl -0.9841673 -0.3906311 -0.2395630 -0.4704144 -0.7328514 -0.4100650 -0.1581146 -0.2631076 -0.3961739 23 Cl -0.5974571 0.3210095 0.1324003 0.3075959 -1.0327779 -0.3069593 0.1815815 -0.3294477 -0.3948328 24 Cl -0.3753786 0.0730820 -0.1716307 -0.0120619 -0.2909955 -0.1482423 -0.2031831 -0.0770791 -0.9692740 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyx) -0.00000000 (yyx) -0.00000000 (yxy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 4 ] 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: 0.47, Number of G-points: 295, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/70) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.702 ( 0.000 0.000 0.000) 0.000 0.749 ( 0.000 0.000 0.000) 0.000 0.758 ( 0.000 0.000 0.000) 0.000 0.825 ( 0.000 0.000 0.000) 0.000 0.905 ( 0.000 0.000 0.000) 0.000 1.011 ( 0.000 0.000 0.000) 0.000 1.102 ( 0.000 0.000 0.000) 0.000 1.186 ( 0.000 0.000 0.000) 0.000 1.214 ( 0.000 0.000 0.000) 0.000 1.304 ( 0.000 0.000 0.000) 0.000 1.377 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.638 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 2.089 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.390 ( 0.000 0.000 0.000) 0.000 2.442 ( 0.000 0.000 0.000) 0.000 2.485 ( 0.000 0.000 0.000) 0.000 2.596 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.869 ( 0.000 0.000 0.000) 0.000 2.941 ( 0.000 0.000 0.000) 0.000 2.957 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.275 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.517 ( 0.000 0.000 0.000) 0.000 3.852 ( 0.000 0.000 0.000) 0.000 3.875 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 4.947 ( 0.000 0.000 0.000) 0.000 4.948 ( 0.000 0.000 0.000) 0.000 4.953 ( 0.000 0.000 0.000) 0.000 5.069 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.171 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.311 ( 0.000 0.000 0.000) 0.000 5.543 ( 0.000 0.000 0.000) 0.000 5.593 ( 0.000 0.000 0.000) 0.000 9.262 ( 0.000 0.000 0.000) 0.000 9.291 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 9.403 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 9.967 ( 0.000 0.000 0.000) 0.000 10.046 ( 0.000 0.000 0.000) 0.000 10.110 ( 0.000 0.000 0.000) 0.000 10.285 ( 0.000 0.000 0.000) 0.000 10.294 ( 0.000 0.000 0.000) 0.000 10.421 ( 0.000 0.000 0.000) 0.000 10.444 ( 0.000 0.000 0.000) 0.000 10.524 ( 0.000 0.000 0.000) 0.000 10.581 ( 0.000 0.000 0.000) 0.000 10.592 ( 0.000 0.000 0.000) 0.000 10.799 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/70) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.200 ( 9.134 0.000 12.371) 15.378 0.218 ( 11.350 0.000 1.234) 11.416 0.363 ( 18.122 0.000 2.664) 18.317 0.738 ( -0.942 0.000 -2.520) 2.690 0.743 ( 3.738 0.000 2.704) 4.613 0.807 ( 4.304 0.000 -0.595) 4.345 0.831 ( -1.744 0.000 -5.094) 5.384 0.935 ( 2.881 0.000 -0.668) 2.957 1.008 ( 0.177 0.000 1.875) 1.883 1.118 ( -0.490 0.000 -7.417) 7.434 1.128 ( -5.166 0.000 -0.131) 5.168 1.155 ( -3.726 0.000 5.382) 6.545 1.299 ( -0.364 0.000 -1.248) 1.300 1.402 ( -6.256 0.000 1.731) 6.491 1.445 ( 5.039 0.000 3.624) 6.207 1.479 ( -1.232 0.000 -2.725) 2.991 1.659 ( 1.538 0.000 0.863) 1.764 1.699 ( 3.257 0.000 -1.441) 3.562 1.894 ( -0.460 0.000 1.393) 1.467 1.960 ( -2.371 0.000 -0.111) 2.373 2.078 ( -0.937 0.000 -1.501) 1.770 2.111 ( -6.507 0.000 2.884) 7.118 2.259 ( -0.005 0.000 -9.844) 9.844 2.328 ( 1.334 0.000 -0.340) 1.376 2.344 ( 0.826 0.000 -6.922) 6.971 2.347 ( -0.271 0.000 -0.652) 0.706 2.426 ( -3.170 0.000 -3.474) 4.703 2.472 ( 1.821 0.000 2.838) 3.372 2.659 ( 3.127 0.000 4.357) 5.363 2.686 ( -3.202 0.000 -0.535) 3.246 2.689 ( 0.153 0.000 1.349) 1.358 2.904 ( 2.528 0.000 0.760) 2.640 2.912 ( -2.123 0.000 -1.982) 2.904 2.962 ( 0.455 0.000 0.067) 0.460 3.060 ( 2.299 0.000 2.607) 3.476 3.097 ( -5.031 0.000 0.268) 5.038 3.099 ( 1.759 0.000 4.996) 5.297 3.274 ( 0.470 0.000 -1.323) 1.404 3.323 ( 1.251 0.000 1.445) 1.911 3.487 ( -3.161 0.000 1.492) 3.495 3.880 ( 2.730 0.000 0.235) 2.740 4.036 ( 0.573 0.000 -3.775) 3.818 4.179 ( -0.996 0.000 0.070) 0.999 4.336 ( 0.633 0.000 -2.692) 2.765 4.831 ( 0.530 0.000 0.046) 0.532 4.894 ( -0.610 0.000 -0.461) 0.765 4.936 ( -0.644 0.000 0.148) 0.661 4.955 ( 0.262 0.000 -0.089) 0.277 4.966 ( 1.081 0.000 0.665) 1.269 5.062 ( -0.678 0.000 -0.228) 0.715 5.091 ( -0.046 0.000 0.013) 0.048 5.174 ( 0.290 0.000 -0.134) 0.320 5.187 ( 0.005 0.000 0.689) 0.689 5.309 ( -0.104 0.000 -0.680) 0.688 5.542 ( -0.054 0.000 0.087) 0.103 5.657 ( -0.302 0.000 2.728) 2.745 9.263 ( 0.022 0.000 -0.037) 0.044 9.291 ( 0.032 0.000 -0.123) 0.127 9.398 ( -0.122 0.000 0.275) 0.301 9.402 ( -0.067 0.000 -0.067) 0.095 9.953 ( -0.054 0.000 0.119) 0.130 9.967 ( -0.004 0.000 -0.100) 0.100 10.045 ( -0.050 0.000 -0.018) 0.053 10.110 ( 0.013 0.000 -0.013) 0.018 10.314 ( 2.010 0.000 -0.163) 2.017 10.399 ( 0.917 0.000 -4.546) 4.638 10.421 ( -0.052 0.000 0.238) 0.243 10.503 ( -1.508 0.000 11.479) 11.577 10.543 ( 0.272 0.000 -3.656) 3.666 10.596 ( -0.095 0.000 0.949) 0.954 10.598 ( 0.609 0.000 -0.030) 0.610 10.785 ( -1.417 0.000 0.073) 1.419 ======================= Grid point 2 (3/70) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 8.055 0.000 11.065) 13.686 0.430 ( 10.476 0.000 1.422) 10.572 0.641 ( 4.503 0.000 -1.970) 4.915 0.727 ( 3.785 0.000 -2.769) 4.690 0.800 ( -1.061 0.000 2.137) 2.386 0.808 ( 3.261 0.000 -3.845) 5.042 0.894 ( 5.247 0.000 -0.536) 5.275 0.992 ( 2.696 0.000 -0.563) 2.754 1.014 ( -4.289 0.000 -0.717) 4.348 1.032 ( 1.414 0.000 2.336) 2.730 1.033 ( -4.383 0.000 1.524) 4.640 1.155 ( -0.944 0.000 -1.971) 2.186 1.248 ( -9.900 0.000 0.550) 9.916 1.301 ( 1.533 0.000 -0.542) 1.626 1.451 ( -0.970 0.000 -3.681) 3.806 1.559 ( 5.616 0.000 5.228) 7.673 1.681 ( 0.462 0.000 1.104) 1.196 1.752 ( 1.676 0.000 -1.518) 2.261 1.886 ( -0.867 0.000 4.429) 4.514 1.899 ( -3.203 0.000 -1.891) 3.720 1.991 ( -5.663 0.000 -1.880) 5.967 2.054 ( -1.193 0.000 -0.822) 1.449 2.234 ( -1.243 0.000 -1.732) 2.132 2.269 ( -2.458 0.000 -1.900) 3.107 2.331 ( -0.905 0.000 -1.940) 2.141 2.390 ( -0.466 0.000 -0.919) 1.030 2.431 ( 4.411 0.000 -1.917) 4.810 2.516 ( 2.429 0.000 1.471) 2.840 2.624 ( -3.078 0.000 -0.761) 3.171 2.667 ( -0.443 0.000 -0.505) 0.672 2.742 ( 2.416 0.000 5.587) 6.087 2.870 ( -1.751 0.000 -2.718) 3.233 2.930 ( -0.963 0.000 1.201) 1.540 2.971 ( 0.383 0.000 -0.079) 0.391 3.014 ( -2.371 0.000 0.183) 2.378 3.103 ( 1.637 0.000 -0.184) 1.647 3.160 ( 3.980 0.000 0.492) 4.010 3.288 ( 1.163 0.000 -0.191) 1.179 3.332 ( -0.422 0.000 0.150) 0.448 3.412 ( -4.679 0.000 2.211) 5.175 3.941 ( 3.226 0.000 0.343) 3.244 4.041 ( 0.341 0.000 -1.357) 1.399 4.154 ( -1.580 0.000 0.017) 1.580 4.343 ( 0.431 0.000 -1.029) 1.116 4.843 ( 0.602 0.000 0.057) 0.605 4.883 ( -0.398 0.000 -0.358) 0.535 4.925 ( -0.499 0.000 0.086) 0.507 4.957 ( 0.035 0.000 -0.040) 0.053 4.989 ( 1.110 0.000 0.575) 1.250 5.046 ( -0.854 0.000 -0.336) 0.918 5.090 ( -0.046 0.000 0.014) 0.048 5.179 ( 0.212 0.000 -0.314) 0.379 5.189 ( 0.054 0.000 0.593) 0.595 5.306 ( -0.059 0.000 -0.661) 0.664 5.541 ( -0.056 0.000 0.085) 0.101 5.657 ( -0.123 0.000 0.890) 0.898 9.263 ( 0.023 0.000 -0.037) 0.044 9.292 ( 0.031 0.000 -0.120) 0.124 9.396 ( -0.101 0.000 0.259) 0.278 9.400 ( -0.068 0.000 -0.067) 0.095 9.952 ( -0.051 0.000 0.116) 0.127 9.967 ( -0.003 0.000 -0.100) 0.100 10.044 ( -0.042 0.000 -0.020) 0.047 10.110 ( 0.013 0.000 -0.013) 0.019 10.359 ( 2.483 0.000 -0.305) 2.502 10.410 ( 0.783 0.000 -1.929) 2.082 10.417 ( -0.514 0.000 0.430) 0.670 10.494 ( -0.948 0.000 4.294) 4.397 10.541 ( 0.078 0.000 -1.485) 1.487 10.596 ( -0.038 0.000 0.378) 0.379 10.614 ( 1.044 0.000 -0.062) 1.046 10.752 ( -1.896 0.000 0.070) 1.897 ======================= Grid point 3 (4/70) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.516 ( 0.000 0.000 0.000) 0.000 0.573 ( 0.000 0.000 -0.000) 0.000 0.589 ( 0.000 0.000 -0.000) 0.000 0.733 ( 0.000 0.000 0.000) 0.000 0.758 ( 0.000 0.000 -0.000) 0.000 0.954 ( 0.000 0.000 -0.000) 0.000 0.972 ( 0.000 0.000 -0.000) 0.000 0.988 ( 0.000 0.000 0.000) 0.000 0.999 ( 0.000 0.000 -0.000) 0.000 1.020 ( -0.000 0.000 -0.000) 0.000 1.060 ( 0.000 0.000 0.000) 0.000 1.070 ( 0.000 0.000 0.000) 0.000 1.109 ( -0.000 0.000 -0.000) 0.000 1.335 ( 0.000 0.000 -0.000) 0.000 1.433 ( 0.000 0.000 -0.000) 0.000 1.642 ( -0.000 0.000 -0.000) 0.000 1.685 ( 0.000 0.000 -0.000) 0.000 1.742 ( 0.000 0.000 0.000) 0.000 1.869 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 -0.000) 0.000 2.039 ( 0.000 0.000 0.000) 0.000 2.219 ( 0.000 0.000 -0.000) 0.000 2.243 ( 0.000 0.000 -0.000) 0.000 2.319 ( 0.000 0.000 -0.000) 0.000 2.387 ( 0.000 0.000 -0.000) 0.000 2.475 ( 0.000 0.000 -0.000) 0.000 2.567 ( -0.000 0.000 -0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 -0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 -0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 -0.000) 0.000 3.004 ( 0.000 0.000 -0.000) 0.000 3.118 ( 0.000 0.000 0.000) 0.000 3.216 ( 0.000 0.000 -0.000) 0.000 3.312 ( -0.000 0.000 -0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.353 ( 0.000 0.000 0.000) 0.000 3.979 ( 0.000 0.000 -0.000) 0.000 4.043 ( 0.000 0.000 -0.000) 0.000 4.134 ( 0.000 0.000 -0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.849 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 -0.000) 0.000 4.920 ( 0.000 0.000 0.000) 0.000 4.957 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 -0.000) 0.000 5.034 ( 0.000 0.000 -0.000) 0.000 5.090 ( 0.000 0.000 -0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.190 ( 0.000 0.000 -0.000) 0.000 5.305 ( 0.000 0.000 -0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.656 ( 0.000 0.000 -0.000) 0.000 9.263 ( 0.000 0.000 0.000) 0.000 9.292 ( 0.000 0.000 -0.000) 0.000 9.396 ( 0.000 0.000 -0.000) 0.000 9.400 ( 0.000 0.000 0.000) 0.000 9.952 ( 0.000 0.000 -0.000) 0.000 9.966 ( 0.000 0.000 0.000) 0.000 10.044 ( 0.000 0.000 -0.000) 0.000 10.110 ( 0.000 0.000 -0.000) 0.000 10.395 ( -0.000 0.000 0.000) 0.000 10.403 ( 0.000 0.000 -0.000) 0.000 10.417 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 -0.000) 0.000 10.541 ( 0.000 0.000 -0.000) 0.000 10.596 ( 0.000 0.000 -0.000) 0.000 10.627 ( 0.000 0.000 -0.000) 0.000 10.729 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/70) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.179 ( 0.000 9.270 0.000) 9.270 0.223 ( 0.000 9.663 0.000) 9.663 0.362 ( 0.000 17.047 0.000) 17.047 0.692 ( 0.000 -1.219 0.000) 1.219 0.730 ( 0.000 0.148 0.000) 0.148 0.857 ( 0.000 3.295 0.000) 3.295 0.857 ( 0.000 -4.290 0.000) 4.290 0.886 ( 0.000 7.611 0.000) 7.611 1.011 ( 0.000 -0.477 0.000) 0.477 1.136 ( 0.000 3.120 0.000) 3.120 1.170 ( 0.000 -1.502 0.000) 1.502 1.188 ( 0.000 -2.422 0.000) 2.422 1.276 ( 0.000 -1.490 0.000) 1.490 1.427 ( 0.000 -3.040 0.000) 3.040 1.462 ( 0.000 -1.611 0.000) 1.611 1.482 ( 0.000 5.551 0.000) 5.551 1.622 ( 0.000 -2.234 0.000) 2.234 1.654 ( 0.000 -0.924 0.000) 0.924 1.905 ( 0.000 -0.134 0.000) 0.134 1.982 ( 0.000 -0.371 0.000) 0.371 2.056 ( 0.000 -3.917 0.000) 3.917 2.136 ( 0.000 -4.122 0.000) 4.122 2.142 ( 0.000 -8.656 0.000) 8.656 2.233 ( 0.000 -0.822 0.000) 0.822 2.364 ( 0.000 -1.642 0.000) 1.642 2.373 ( 0.000 0.606 0.000) 0.606 2.488 ( 0.000 0.667 0.000) 0.667 2.601 ( 0.000 -1.660 0.000) 1.660 2.655 ( 0.000 4.802 0.000) 4.802 2.766 ( 0.000 3.065 0.000) 3.065 2.779 ( 0.000 -0.096 0.000) 0.096 2.829 ( 0.000 0.135 0.000) 0.135 2.913 ( 0.000 -1.514 0.000) 1.514 2.998 ( 0.000 1.872 0.000) 1.872 3.047 ( 0.000 3.542 0.000) 3.542 3.051 ( 0.000 -1.052 0.000) 1.052 3.168 ( 0.000 1.702 0.000) 1.702 3.300 ( 0.000 0.801 0.000) 0.801 3.306 ( 0.000 1.796 0.000) 1.796 3.475 ( 0.000 -4.028 0.000) 4.028 3.877 ( 0.000 0.129 0.000) 0.129 3.882 ( 0.000 0.192 0.000) 0.192 4.224 ( 0.000 1.448 0.000) 1.448 4.264 ( 0.000 0.804 0.000) 0.804 4.834 ( 0.000 0.634 0.000) 0.634 4.898 ( 0.000 -0.393 0.000) 0.393 4.940 ( 0.000 -0.752 0.000) 0.752 4.949 ( 0.000 0.203 0.000) 0.203 4.961 ( 0.000 0.749 0.000) 0.749 5.066 ( 0.000 -0.261 0.000) 0.261 5.097 ( 0.000 -0.290 0.000) 0.290 5.171 ( 0.000 -0.913 0.000) 0.913 5.178 ( 0.000 0.622 0.000) 0.622 5.303 ( 0.000 -0.781 0.000) 0.781 5.553 ( 0.000 0.100 0.000) 0.100 5.590 ( 0.000 -0.255 0.000) 0.255 9.266 ( 0.000 0.331 0.000) 0.331 9.284 ( 0.000 -0.647 0.000) 0.647 9.394 ( 0.000 -0.404 0.000) 0.404 9.407 ( 0.000 0.399 0.000) 0.399 9.946 ( 0.000 -0.547 0.000) 0.547 9.965 ( 0.000 -0.175 0.000) 0.175 10.047 ( 0.000 0.111 0.000) 0.111 10.108 ( 0.000 -0.141 0.000) 0.141 10.332 ( 0.000 4.039 0.000) 4.039 10.409 ( 0.000 -0.479 0.000) 0.479 10.441 ( 0.000 -0.252 0.000) 0.252 10.533 ( 0.000 0.848 0.000) 0.848 10.559 ( 0.000 0.431 0.000) 0.431 10.565 ( 0.000 -1.373 0.000) 1.373 10.584 ( 0.000 -0.761 0.000) 0.761 10.797 ( 0.000 -2.093 0.000) 2.093 ======================= Grid point 8 (6/70) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.255 ( 6.465 6.603 2.421) 9.553 0.277 ( 6.803 6.333 8.103) 12.331 0.509 ( 11.189 9.881 -0.401) 14.933 0.712 ( 1.526 -0.703 -1.040) 1.976 0.759 ( 3.213 1.145 2.649) 4.319 0.855 ( -0.452 2.304 -2.494) 3.425 0.877 ( 1.247 -3.050 -3.237) 4.619 0.898 ( 1.854 5.346 -0.081) 5.659 1.020 ( 0.575 -0.246 1.660) 1.774 1.099 ( -4.385 -1.150 -2.046) 4.974 1.136 ( -3.234 0.394 -2.970) 4.408 1.161 ( -0.967 1.334 3.644) 4.000 1.279 ( 0.387 -1.383 0.144) 1.443 1.386 ( -4.189 -1.670 0.262) 4.517 1.438 ( -1.720 -2.756 -1.720) 3.676 1.523 ( 3.214 5.309 2.561) 6.714 1.634 ( 1.549 -2.167 0.473) 2.705 1.689 ( 3.019 -1.056 -0.504) 3.238 1.883 ( -2.596 -2.173 1.223) 3.599 1.972 ( -0.942 0.726 0.707) 1.384 2.049 ( -0.717 -2.866 -0.349) 2.974 2.078 ( -3.938 -2.703 1.974) 5.168 2.164 ( 0.949 -8.774 0.579) 8.844 2.229 ( -0.551 -2.838 -4.002) 4.937 2.298 ( -3.550 -2.777 -2.548) 5.178 2.395 ( -1.985 1.263 -2.438) 3.387 2.464 ( 1.467 2.412 -4.208) 5.068 2.591 ( -1.099 3.559 1.333) 3.956 2.662 ( -3.576 1.583 -0.458) 3.937 2.694 ( 2.192 3.036 2.441) 4.470 2.746 ( -1.644 2.823 -0.674) 3.336 2.898 ( 1.948 -0.928 0.183) 2.166 2.918 ( 0.765 0.563 -0.004) 0.950 2.988 ( -0.838 0.713 3.101) 3.290 3.022 ( -1.570 -0.675 -2.139) 2.738 3.083 ( 1.583 -0.320 1.881) 2.479 3.149 ( -0.866 3.281 0.673) 3.459 3.297 ( 0.493 1.771 -0.589) 1.931 3.331 ( 0.922 0.757 1.542) 1.950 3.447 ( -2.715 -3.554 0.613) 4.514 3.884 ( 2.428 0.410 0.225) 2.473 3.980 ( 4.380 -2.983 -1.782) 5.591 4.206 ( -1.371 1.987 -0.012) 2.414 4.295 ( 1.979 -1.421 -0.580) 2.505 4.838 ( 0.425 0.643 0.031) 0.771 4.893 ( -0.443 -0.176 -0.363) 0.599 4.934 ( -0.569 -0.205 0.039) 0.607 4.950 ( 0.220 -0.433 -0.063) 0.490 4.974 ( 0.957 0.656 0.636) 1.323 5.061 ( -0.499 -0.082 -0.143) 0.526 5.094 ( -0.208 0.001 0.006) 0.208 5.174 ( 0.165 -0.890 -0.436) 1.005 5.179 ( 0.165 0.307 0.510) 0.618 5.302 ( -0.025 -0.708 -0.684) 0.985 5.546 ( -0.268 0.316 0.034) 0.416 5.620 ( 1.446 -1.877 1.491) 2.799 9.265 ( -0.042 0.255 -0.151) 0.299 9.287 ( 0.208 -0.489 -0.359) 0.642 9.399 ( 0.184 -0.206 0.581) 0.644 9.406 ( -0.101 0.367 -0.117) 0.398 9.949 ( 0.245 -0.523 -0.049) 0.579 9.966 ( 0.036 -0.004 -0.002) 0.036 10.048 ( 0.060 0.162 -0.117) 0.208 10.108 ( 0.000 -0.154 -0.023) 0.156 10.339 ( 1.087 3.104 -0.141) 3.291 10.412 ( 0.288 -0.226 -0.325) 0.489 10.435 ( -0.311 0.766 -1.186) 1.446 10.512 ( -2.116 0.672 5.481) 5.913 10.539 ( 0.045 -0.048 -3.164) 3.165 10.584 ( 0.425 -0.768 0.594) 1.061 10.592 ( 0.853 -0.591 0.056) 1.039 10.776 ( -1.747 -1.400 0.354) 2.266 ======================= Grid point 9 (7/70) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 8.883 2.324 3.892) 9.973 0.440 ( 8.396 3.233 8.175) 12.156 0.659 ( 0.896 1.150 -3.646) 3.927 0.758 ( 3.501 2.617 -2.861) 5.224 0.786 ( -1.577 -0.837 0.893) 1.996 0.858 ( 0.906 2.597 -4.752) 5.491 0.905 ( 6.216 0.640 0.694) 6.288 0.952 ( 2.084 -0.324 -0.889) 2.289 1.003 ( -2.258 -0.553 1.177) 2.606 1.036 ( -3.668 0.257 2.253) 4.312 1.067 ( 0.284 1.763 1.660) 2.439 1.152 ( -2.058 -0.203 -2.698) 3.400 1.261 ( -6.486 1.668 3.179) 7.413 1.311 ( 0.825 -0.085 -2.135) 2.290 1.419 ( 0.644 -2.715 -2.275) 3.600 1.588 ( 2.267 1.669 2.845) 4.002 1.675 ( 2.445 -0.082 0.471) 2.491 1.743 ( 1.882 -0.666 -0.236) 2.010 1.824 ( -2.600 -4.217 2.502) 5.550 1.952 ( -2.355 2.474 1.252) 3.638 1.989 ( -3.183 -0.266 -0.941) 3.330 2.045 ( -0.762 -0.793 -0.831) 1.379 2.180 ( -1.424 -10.607 0.778) 10.730 2.185 ( -0.825 -6.835 -1.210) 6.990 2.242 ( -1.755 -1.673 -4.332) 4.964 2.342 ( -1.695 1.519 -0.938) 2.462 2.518 ( 3.498 2.274 -2.789) 5.019 2.579 ( -0.330 4.862 0.850) 4.947 2.616 ( -1.719 -0.236 0.141) 1.740 2.698 ( -0.325 2.242 -1.084) 2.512 2.772 ( 2.253 2.847 4.090) 5.469 2.881 ( -2.040 0.495 -1.135) 2.386 2.924 ( -2.410 -0.698 0.693) 2.603 2.984 ( 0.565 -0.943 1.856) 2.157 2.995 ( -0.103 1.369 -1.603) 2.110 3.132 ( 3.456 -0.634 -2.287) 4.192 3.155 ( 0.898 2.209 1.696) 2.926 3.308 ( -0.070 0.820 0.827) 1.166 3.333 ( -0.661 -0.111 1.070) 1.263 3.388 ( -2.968 -1.063 0.367) 3.174 3.943 ( 3.173 0.204 0.264) 3.191 4.025 ( 1.172 -1.159 -0.994) 1.925 4.177 ( -1.636 1.943 -0.021) 2.540 4.321 ( 0.916 -1.597 -0.542) 1.919 4.848 ( 0.553 0.536 0.046) 0.771 4.884 ( -0.342 0.033 -0.269) 0.437 4.923 ( -0.509 -0.090 -0.001) 0.517 4.953 ( 0.113 -0.460 -0.011) 0.474 4.994 ( 0.976 0.419 0.523) 1.184 5.049 ( -0.656 0.288 -0.190) 0.741 5.091 ( -0.093 0.023 -0.010) 0.096 5.175 ( 0.048 -0.649 -0.538) 0.844 5.185 ( 0.208 -0.114 0.619) 0.662 5.300 ( -0.045 -0.599 -0.603) 0.852 5.543 ( -0.095 0.225 0.080) 0.257 5.638 ( 0.391 -1.525 0.718) 1.730 9.264 ( 0.019 0.186 -0.108) 0.216 9.289 ( 0.099 -0.296 -0.229) 0.387 9.401 ( -0.025 0.217 0.359) 0.420 9.404 ( -0.108 0.285 -0.052) 0.309 9.953 ( 0.173 -0.079 -0.029) 0.193 9.966 ( -0.016 0.011 0.008) 0.021 10.048 ( 0.013 0.302 -0.088) 0.315 10.108 ( -0.007 -0.196 -0.017) 0.197 10.371 ( 2.008 1.410 -0.252) 2.466 10.415 ( -0.079 -0.067 0.066) 0.123 10.429 ( -0.179 1.150 -0.730) 1.373 10.489 ( -1.136 -0.476 2.316) 2.623 10.537 ( 0.012 0.039 -0.949) 0.950 10.589 ( 0.078 -0.662 0.289) 0.726 10.614 ( 1.254 -0.221 0.017) 1.274 10.741 ( -1.841 -1.107 0.224) 2.160 ======================= Grid point 10 (8/70) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -0.000 4.053 -0.000) 4.053 0.575 ( 0.000 1.283 0.000) 1.283 0.604 ( -0.000 1.195 0.000) 1.195 0.676 ( 0.000 -4.773 0.000) 4.773 0.810 ( 0.000 4.880 0.000) 4.880 0.925 ( 0.000 -1.105 0.000) 1.105 0.934 ( 0.000 -1.515 -0.000) 1.515 0.983 ( 0.000 -2.831 0.000) 2.831 0.997 ( -0.000 0.534 0.000) 0.534 1.059 ( 0.000 2.362 0.000) 2.362 1.061 ( -0.000 0.030 -0.000) 0.030 1.108 ( -0.000 2.888 -0.000) 2.888 1.146 ( 0.000 2.959 0.000) 2.959 1.329 ( -0.000 -0.724 -0.000) 0.724 1.438 ( 0.000 -0.110 -0.000) 0.110 1.606 ( 0.000 -1.534 -0.000) 1.534 1.707 ( 0.000 -0.914 0.000) 0.914 1.739 ( 0.000 -0.586 0.000) 0.586 1.856 ( -0.000 -0.911 -0.000) 0.911 1.868 ( 0.000 0.777 0.000) 0.777 1.977 ( 0.000 3.645 0.000) 3.645 2.033 ( -0.000 -0.650 0.000) 0.650 2.145 ( 0.000 -8.981 -0.000) 8.981 2.196 ( 0.000 -13.032 0.000) 13.032 2.217 ( 0.000 0.463 -0.000) 0.463 2.328 ( 0.000 1.268 -0.000) 1.268 2.556 ( 0.000 2.101 -0.000) 2.101 2.575 ( -0.000 0.687 -0.000) 0.687 2.599 ( 0.000 3.272 0.000) 3.272 2.699 ( 0.000 2.892 0.000) 2.892 2.803 ( -0.000 3.028 -0.000) 3.028 2.849 ( 0.000 -0.682 0.000) 0.682 2.890 ( 0.000 -0.506 0.000) 0.506 2.994 ( 0.000 1.691 0.000) 1.691 2.996 ( 0.000 -0.294 -0.000) 0.294 3.157 ( 0.000 2.329 0.000) 2.329 3.192 ( 0.000 -1.526 0.000) 1.526 3.280 ( 0.000 -3.734 -0.000) 3.734 3.347 ( 0.000 2.535 0.000) 2.535 3.349 ( -0.000 0.858 -0.000) 0.858 3.980 ( 0.000 0.211 -0.000) 0.211 4.033 ( 0.000 -0.712 0.000) 0.712 4.157 ( 0.000 1.987 0.000) 1.987 4.329 ( 0.000 -1.441 0.000) 1.441 4.854 ( 0.000 0.492 0.000) 0.492 4.880 ( 0.000 0.073 -0.000) 0.073 4.918 ( 0.000 -0.085 0.000) 0.085 4.954 ( 0.000 -0.391 0.000) 0.391 5.006 ( 0.000 0.225 0.000) 0.225 5.041 ( 0.000 0.552 -0.000) 0.552 5.090 ( -0.000 0.008 -0.000) 0.008 5.175 ( 0.000 -0.684 0.000) 0.684 5.188 ( 0.000 -0.130 0.000) 0.130 5.299 ( 0.000 -0.574 -0.000) 0.574 5.543 ( 0.000 0.203 0.000) 0.203 5.642 ( -0.000 -1.293 -0.000) 1.293 9.264 ( 0.000 0.176 0.000) 0.176 9.290 ( 0.000 -0.238 -0.000) 0.238 9.401 ( 0.000 0.330 -0.000) 0.330 9.402 ( 0.000 0.246 0.000) 0.246 9.955 ( 0.000 0.207 -0.000) 0.207 9.966 ( 0.000 -0.084 0.000) 0.084 10.048 ( 0.000 0.356 -0.000) 0.356 10.108 ( 0.000 -0.221 0.000) 0.221 10.402 ( 0.000 0.088 -0.000) 0.088 10.405 ( -0.000 0.796 0.000) 0.796 10.426 ( 0.000 0.911 -0.000) 0.911 10.479 ( -0.000 -0.758 0.000) 0.758 10.536 ( 0.000 0.075 -0.000) 0.075 10.590 ( 0.000 -0.638 0.000) 0.638 10.629 ( 0.000 -0.116 -0.000) 0.116 10.720 ( -0.000 -0.938 0.000) 0.938 ======================= Grid point 14 (9/70) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 0.000 3.292 0.000) 3.292 0.401 ( 0.000 10.002 0.000) 10.002 0.612 ( 0.000 6.265 0.000) 6.265 0.706 ( 0.000 -6.099 0.000) 6.099 0.711 ( 0.000 3.211 0.000) 3.211 0.825 ( 0.000 6.536 0.000) 6.536 0.926 ( 0.000 3.215 0.000) 3.215 0.988 ( 0.000 -1.761 0.000) 1.761 1.028 ( 0.000 5.773 0.000) 5.773 1.097 ( 0.000 -4.480 0.000) 4.480 1.137 ( 0.000 -2.595 0.000) 2.595 1.252 ( 0.000 7.405 0.000) 7.405 1.256 ( 0.000 -1.308 0.000) 1.308 1.384 ( 0.000 -1.077 0.000) 1.077 1.388 ( 0.000 -3.857 0.000) 3.857 1.544 ( 0.000 -4.976 0.000) 4.976 1.579 ( 0.000 -2.119 0.000) 2.119 1.659 ( 0.000 5.283 0.000) 5.283 1.873 ( 0.000 -2.461 0.000) 2.461 1.904 ( 0.000 -7.981 0.000) 7.981 1.951 ( 0.000 -3.390 0.000) 3.390 2.033 ( 0.000 -3.469 0.000) 3.469 2.037 ( 0.000 -5.796 0.000) 5.796 2.261 ( 0.000 3.659 0.000) 3.659 2.319 ( 0.000 -3.190 0.000) 3.190 2.380 ( 0.000 0.827 0.000) 0.827 2.513 ( 0.000 1.725 0.000) 1.725 2.598 ( 0.000 1.614 0.000) 1.614 2.754 ( 0.000 4.049 0.000) 4.049 2.773 ( 0.000 -0.501 0.000) 0.501 2.814 ( 0.000 -1.177 0.000) 1.177 2.833 ( 0.000 2.660 0.000) 2.660 2.884 ( 0.000 -1.511 0.000) 1.511 3.012 ( 0.000 -1.253 0.000) 1.253 3.022 ( 0.000 0.860 0.000) 0.860 3.130 ( 0.000 4.010 0.000) 4.010 3.201 ( 0.000 0.960 0.000) 0.960 3.324 ( 0.000 -2.390 0.000) 2.390 3.339 ( 0.000 2.878 0.000) 2.878 3.389 ( 0.000 -2.265 0.000) 2.265 3.880 ( 0.000 0.161 0.000) 0.161 3.885 ( 0.000 0.094 0.000) 0.094 4.260 ( 0.000 1.954 0.000) 1.954 4.284 ( 0.000 1.156 0.000) 1.156 4.853 ( 0.000 1.283 0.000) 1.283 4.887 ( 0.000 -0.687 0.000) 0.687 4.921 ( 0.000 -1.067 0.000) 1.067 4.954 ( 0.000 0.187 0.000) 0.187 4.981 ( 0.000 1.173 0.000) 1.173 5.058 ( 0.000 -0.538 0.000) 0.538 5.093 ( 0.000 -0.092 0.000) 0.092 5.147 ( 0.000 -1.416 0.000) 1.416 5.192 ( 0.000 0.751 0.000) 0.751 5.282 ( 0.000 -1.272 0.000) 1.272 5.556 ( 0.000 0.190 0.000) 0.190 5.584 ( 0.000 -0.410 0.000) 0.410 9.272 ( 0.000 -0.347 0.000) 0.347 9.273 ( 0.000 0.367 0.000) 0.367 9.388 ( 0.000 -0.137 0.000) 0.137 9.414 ( 0.000 0.223 0.000) 0.223 9.940 ( 0.000 0.047 0.000) 0.047 9.961 ( 0.000 -0.164 0.000) 0.164 10.051 ( 0.000 0.349 0.000) 0.349 10.103 ( 0.000 -0.399 0.000) 0.399 10.388 ( 0.000 -0.085 0.000) 0.085 10.392 ( 0.000 -1.246 0.000) 1.246 10.455 ( 0.000 2.597 0.000) 2.597 10.541 ( 0.000 -0.639 0.000) 0.639 10.552 ( 0.000 -1.270 0.000) 1.270 10.559 ( 0.000 1.793 0.000) 1.793 10.582 ( 0.000 0.678 0.000) 0.678 10.746 ( 0.000 -2.845 0.000) 2.845 ======================= Grid point 15 (10/70) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 5.235 3.125 2.932) 6.765 0.421 ( 2.742 9.201 2.479) 9.916 0.671 ( 4.678 5.328 -1.035) 7.165 0.715 ( 1.936 -1.256 1.523) 2.765 0.756 ( 3.642 -1.881 -4.425) 6.031 0.837 ( -0.152 4.387 1.523) 4.646 0.926 ( 1.259 3.748 -1.568) 4.253 0.979 ( -1.424 -0.264 -0.055) 1.450 1.030 ( 0.703 3.096 0.061) 3.176 1.063 ( -2.021 -2.403 2.010) 3.728 1.139 ( -2.150 0.184 -0.259) 2.173 1.216 ( -2.342 1.672 0.194) 2.884 1.257 ( 0.671 0.947 -2.041) 2.348 1.358 ( -0.879 -3.534 0.372) 3.661 1.382 ( -3.373 0.765 0.578) 3.507 1.517 ( 1.336 -5.844 -0.131) 5.996 1.643 ( 2.139 -3.461 -0.454) 4.094 1.688 ( 3.603 6.059 2.840) 7.600 1.827 ( -4.392 -2.645 2.710) 5.799 1.908 ( 0.527 -7.868 -0.207) 7.889 1.949 ( -0.275 -5.097 -1.876) 5.438 2.008 ( -2.426 -4.875 -0.210) 5.450 2.028 ( -1.128 -3.473 1.375) 3.902 2.231 ( -3.956 0.947 -0.020) 4.068 2.285 ( -0.902 2.254 -0.766) 2.546 2.406 ( 0.644 0.171 -2.054) 2.160 2.507 ( 0.950 2.049 -4.522) 5.055 2.617 ( 1.034 1.400 2.710) 3.220 2.705 ( -4.136 1.007 -1.602) 4.548 2.754 ( -1.051 2.010 -2.306) 3.235 2.792 ( -0.003 2.049 0.483) 2.105 2.859 ( 1.540 -2.669 1.220) 3.314 2.938 ( 3.035 1.338 1.928) 3.836 2.968 ( -2.857 -0.552 0.985) 3.072 3.035 ( -0.118 0.717 1.269) 1.462 3.120 ( -0.250 3.187 -2.516) 4.068 3.189 ( -0.915 0.728 0.599) 1.314 3.309 ( -2.262 -4.424 2.136) 5.408 3.348 ( 1.104 3.073 -0.250) 3.275 3.397 ( 0.733 0.080 -0.503) 0.893 3.894 ( 2.311 0.535 0.164) 2.378 3.944 ( 4.100 -1.050 -0.638) 4.280 4.247 ( -1.235 2.060 0.038) 2.403 4.290 ( 0.465 0.462 -0.097) 0.662 4.856 ( 0.302 1.180 -0.017) 1.218 4.885 ( -0.171 -0.545 -0.032) 0.572 4.923 ( 0.195 -0.902 -0.044) 0.924 4.948 ( -0.460 0.239 -0.167) 0.545 4.989 ( 0.666 0.841 0.466) 1.169 5.057 ( -0.152 -0.369 0.007) 0.399 5.092 ( -0.102 -0.092 0.001) 0.138 5.150 ( 0.228 -1.448 -0.164) 1.475 5.191 ( -0.112 0.713 -0.030) 0.723 5.283 ( 0.073 -1.231 -0.414) 1.300 5.553 ( -0.241 0.311 0.019) 0.394 5.594 ( 0.791 -0.949 0.552) 1.353 9.270 ( -0.079 0.183 0.168) 0.261 9.278 ( 0.334 -0.172 -0.550) 0.666 9.393 ( 0.389 -0.225 0.522) 0.689 9.412 ( -0.177 0.186 -0.136) 0.291 9.942 ( 0.274 -0.045 -0.092) 0.293 9.964 ( 0.199 -0.129 0.045) 0.241 10.052 ( 0.098 0.315 -0.078) 0.339 10.103 ( -0.054 -0.432 -0.011) 0.435 10.386 ( 0.159 0.136 -0.269) 0.341 10.401 ( 0.554 -1.100 0.410) 1.298 10.454 ( -0.055 2.376 -0.004) 2.376 10.518 ( -1.540 0.130 -1.033) 1.859 10.554 ( -0.310 1.431 0.535) 1.559 10.565 ( 0.618 -1.086 0.870) 1.522 10.587 ( 0.604 0.227 -0.450) 0.787 10.734 ( -1.138 -2.514 0.364) 2.783 ======================= Grid point 16 (11/70) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.491 ( 5.779 3.429 1.035) 6.800 0.523 ( 5.943 4.649 6.109) 9.709 0.698 ( -1.043 3.401 -0.580) 3.604 0.767 ( -3.660 0.236 -3.982) 5.413 0.813 ( 4.978 1.634 -2.294) 5.720 0.838 ( 4.675 -1.159 -0.768) 4.878 0.940 ( -1.168 1.191 -0.243) 1.686 0.997 ( 3.266 2.734 1.463) 4.504 1.019 ( -3.819 1.166 1.523) 4.274 1.047 ( 0.873 1.664 -0.522) 1.951 1.083 ( -1.643 0.074 2.100) 2.668 1.161 ( -2.622 1.702 -2.540) 4.028 1.276 ( -1.571 -2.064 -2.007) 3.280 1.310 ( -2.507 1.110 3.151) 4.177 1.361 ( 2.273 -2.541 -0.606) 3.463 1.566 ( 3.019 -4.096 -0.187) 5.092 1.655 ( -1.033 -2.432 0.613) 2.712 1.731 ( -3.540 -2.253 2.420) 4.843 1.787 ( 3.946 1.526 2.249) 4.791 1.919 ( -0.279 -11.674 -0.084) 11.677 1.938 ( -0.626 -5.523 -1.157) 5.678 1.961 ( -0.798 -2.439 -0.735) 2.669 2.002 ( -1.419 -1.805 0.702) 2.401 2.135 ( -5.638 0.844 -0.020) 5.701 2.277 ( -0.147 4.571 -1.728) 4.889 2.385 ( -1.464 2.417 -0.914) 2.970 2.545 ( 2.892 0.900 -3.809) 4.867 2.615 ( -1.971 0.089 -0.064) 1.974 2.654 ( -0.372 2.152 0.586) 2.261 2.730 ( 0.096 1.294 -2.403) 2.731 2.827 ( 1.232 -0.490 1.076) 1.708 2.850 ( -1.579 -0.420 3.847) 4.180 2.928 ( -1.266 1.007 -0.763) 1.789 2.986 ( 1.483 1.448 0.853) 2.242 3.029 ( -0.314 1.553 0.248) 1.604 3.128 ( 1.712 0.349 -2.989) 3.462 3.178 ( -0.398 -0.143 1.074) 1.154 3.252 ( -3.806 -4.432 2.236) 6.255 3.373 ( 1.359 3.109 0.325) 3.409 3.405 ( 0.034 1.763 -0.541) 1.844 3.951 ( 3.127 0.579 0.128) 3.183 4.006 ( 2.152 -0.779 -0.509) 2.344 4.218 ( -1.593 2.137 0.008) 2.666 4.299 ( 0.426 -0.605 -0.102) 0.747 4.863 ( 0.403 0.947 -0.036) 1.030 4.881 ( -0.222 -0.320 -0.021) 0.389 4.925 ( -0.064 0.040 -0.084) 0.113 4.941 ( -0.141 -0.464 -0.034) 0.486 5.003 ( 0.619 0.400 0.383) 0.830 5.053 ( -0.223 0.013 0.001) 0.223 5.090 ( -0.083 -0.101 -0.003) 0.131 5.153 ( 0.118 -1.434 -0.291) 1.467 5.190 ( 0.003 0.553 0.117) 0.565 5.283 ( 0.033 -1.115 -0.371) 1.175 5.549 ( -0.116 0.350 0.054) 0.373 5.608 ( 0.484 -1.400 0.386) 1.530 9.270 ( 0.025 0.315 0.007) 0.316 9.282 ( 0.179 -0.275 -0.326) 0.462 9.400 ( 0.219 -0.193 0.428) 0.518 9.408 ( -0.188 0.110 -0.123) 0.250 9.950 ( 0.504 -0.112 -0.107) 0.527 9.966 ( -0.090 -0.096 0.076) 0.152 10.054 ( 0.100 0.298 -0.081) 0.325 10.102 ( -0.073 -0.505 -0.011) 0.511 10.394 ( 0.639 0.223 -0.012) 0.677 10.410 ( 0.249 -0.746 0.215) 0.815 10.454 ( -0.010 1.983 0.024) 1.984 10.489 ( -1.137 0.748 -0.651) 1.509 10.551 ( -0.152 1.236 0.371) 1.299 10.573 ( 0.103 -0.919 0.075) 0.927 10.604 ( 1.088 -0.634 0.056) 1.260 10.710 ( -1.350 -1.930 0.302) 2.375 ======================= Grid point 17 (12/70) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.575 ( 0.000 -2.271 0.000) 2.271 0.615 ( -0.000 1.268 -0.000) 1.268 0.665 ( -0.000 6.436 0.000) 6.436 0.689 ( 0.000 6.837 0.000) 6.837 0.876 ( -0.000 -0.931 0.000) 0.931 0.904 ( 0.000 -1.492 -0.000) 1.492 0.921 ( 0.000 -0.727 0.000) 0.727 0.983 ( -0.000 6.169 -0.000) 6.169 1.009 ( 0.000 0.866 0.000) 0.866 1.042 ( -0.000 -2.433 0.000) 2.433 1.085 ( 0.000 0.408 0.000) 0.408 1.161 ( 0.000 2.298 -0.000) 2.298 1.207 ( 0.000 3.036 0.000) 3.036 1.302 ( -0.000 -1.992 -0.000) 1.992 1.405 ( 0.000 -3.269 -0.000) 3.269 1.600 ( 0.000 0.303 -0.000) 0.303 1.625 ( -0.000 -5.559 0.000) 5.559 1.696 ( 0.000 -4.083 0.000) 4.083 1.862 ( 0.000 -0.125 0.000) 0.125 1.885 ( -0.000 -4.542 -0.000) 4.542 1.920 ( 0.000 -13.011 -0.000) 13.011 1.972 ( 0.000 -2.039 0.000) 2.039 2.016 ( 0.000 -0.243 -0.000) 0.243 2.044 ( -0.000 1.437 0.000) 1.437 2.273 ( 0.000 5.252 -0.000) 5.252 2.369 ( 0.000 2.660 0.000) 2.660 2.573 ( 0.000 0.360 -0.000) 0.360 2.589 ( 0.000 0.450 -0.000) 0.450 2.658 ( 0.000 1.762 -0.000) 1.762 2.740 ( -0.000 1.707 0.000) 1.707 2.800 ( 0.000 -3.651 -0.000) 3.651 2.884 ( 0.000 4.304 -0.000) 4.304 2.899 ( 0.000 0.631 0.000) 0.631 3.000 ( 0.000 0.741 0.000) 0.741 3.028 ( 0.000 1.627 -0.000) 1.627 3.160 ( -0.000 -3.061 0.000) 3.061 3.176 ( -0.000 -0.030 0.000) 0.030 3.198 ( 0.000 -2.613 -0.000) 2.613 3.394 ( 0.000 3.055 0.000) 3.055 3.397 ( -0.000 2.351 -0.000) 2.351 3.988 ( 0.000 0.563 -0.000) 0.563 4.022 ( -0.000 -0.337 -0.000) 0.337 4.200 ( 0.000 2.207 0.000) 2.207 4.303 ( 0.000 -1.055 0.000) 1.055 4.868 ( 0.000 0.852 0.000) 0.852 4.878 ( 0.000 -0.276 -0.000) 0.276 4.923 ( 0.000 0.647 0.000) 0.647 4.941 ( 0.000 -0.929 0.000) 0.929 5.010 ( 0.000 0.127 0.000) 0.127 5.050 ( 0.000 0.274 -0.000) 0.274 5.089 ( -0.000 -0.103 0.000) 0.103 5.154 ( 0.000 -1.403 -0.000) 1.403 5.190 ( 0.000 0.445 0.000) 0.445 5.283 ( 0.000 -1.054 -0.000) 1.054 5.548 ( 0.000 0.354 0.000) 0.354 5.613 ( -0.000 -1.489 -0.000) 1.489 9.270 ( 0.000 0.361 0.000) 0.361 9.284 ( 0.000 -0.300 -0.000) 0.300 9.403 ( 0.000 -0.128 -0.000) 0.128 9.406 ( -0.000 0.070 0.000) 0.070 9.957 ( 0.000 -0.021 -0.000) 0.021 9.963 ( -0.000 -0.175 0.000) 0.175 10.055 ( 0.000 0.312 -0.000) 0.312 10.101 ( 0.000 -0.546 0.000) 0.546 10.404 ( 0.000 -0.037 0.000) 0.037 10.411 ( -0.000 -0.388 -0.000) 0.388 10.454 ( 0.000 1.828 0.000) 1.828 10.477 ( -0.000 0.862 -0.000) 0.862 10.550 ( 0.000 1.158 -0.000) 1.158 10.573 ( 0.000 -0.929 0.000) 0.929 10.617 ( 0.000 -1.020 0.000) 1.020 10.694 ( -0.000 -1.558 -0.000) 1.558 ======================= Grid point 21 (13/70) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 0.000 0.463 0.000) 0.463 0.543 ( 0.000 -8.903 0.000) 8.903 0.598 ( 0.000 8.845 0.000) 8.845 0.670 ( 0.000 1.697 0.000) 1.697 0.805 ( 0.000 5.846 0.000) 5.846 0.950 ( 0.000 -1.542 0.000) 1.542 0.951 ( 0.000 -1.258 0.000) 1.258 1.000 ( 0.000 7.304 0.000) 7.304 1.033 ( 0.000 -0.276 0.000) 0.276 1.079 ( 0.000 -3.706 0.000) 3.706 1.098 ( 0.000 1.376 0.000) 1.376 1.185 ( 0.000 -5.986 0.000) 5.986 1.345 ( 0.000 -0.887 0.000) 0.887 1.346 ( 0.000 -1.169 0.000) 1.169 1.430 ( 0.000 7.762 0.000) 7.762 1.476 ( 0.000 -4.624 0.000) 4.624 1.478 ( 0.000 -0.683 0.000) 0.683 1.711 ( 0.000 -3.128 0.000) 3.128 1.837 ( 0.000 -0.853 0.000) 0.853 1.876 ( 0.000 -3.038 0.000) 3.038 1.883 ( 0.000 6.362 0.000) 6.362 1.934 ( 0.000 -4.194 0.000) 4.194 1.959 ( 0.000 -4.016 0.000) 4.016 2.204 ( 0.000 -6.836 0.000) 6.836 2.365 ( 0.000 4.535 0.000) 4.535 2.412 ( 0.000 1.923 0.000) 1.923 2.552 ( 0.000 2.297 0.000) 2.297 2.648 ( 0.000 2.514 0.000) 2.514 2.727 ( 0.000 -4.419 0.000) 4.419 2.756 ( 0.000 -1.263 0.000) 1.263 2.824 ( 0.000 1.465 0.000) 1.465 2.856 ( 0.000 -1.209 0.000) 1.209 2.896 ( 0.000 3.668 0.000) 3.668 3.028 ( 0.000 -0.690 0.000) 0.690 3.038 ( 0.000 3.329 0.000) 3.329 3.188 ( 0.000 1.610 0.000) 1.610 3.208 ( 0.000 -0.002 0.000) 0.002 3.214 ( 0.000 -6.148 0.000) 6.148 3.390 ( 0.000 1.855 0.000) 1.855 3.396 ( 0.000 1.013 0.000) 1.013 3.883 ( 0.000 0.126 0.000) 0.126 3.886 ( 0.000 -0.023 0.000) 0.023 4.294 ( 0.000 1.372 0.000) 1.372 4.305 ( 0.000 0.763 0.000) 0.763 4.876 ( 0.000 -0.323 0.000) 0.323 4.878 ( 0.000 0.717 0.000) 0.717 4.906 ( 0.000 0.063 0.000) 0.063 4.950 ( 0.000 -0.677 0.000) 0.677 5.005 ( 0.000 1.297 0.000) 1.297 5.046 ( 0.000 -0.704 0.000) 0.704 5.094 ( 0.000 0.192 0.000) 0.192 5.120 ( 0.000 -1.235 0.000) 1.235 5.208 ( 0.000 0.895 0.000) 0.895 5.255 ( 0.000 -1.415 0.000) 1.415 5.561 ( 0.000 0.276 0.000) 0.276 5.575 ( 0.000 -0.436 0.000) 0.436 9.272 ( 0.000 0.248 0.000) 0.248 9.279 ( 0.000 0.130 0.000) 0.130 9.390 ( 0.000 0.368 0.000) 0.368 9.413 ( 0.000 -0.387 0.000) 0.387 9.947 ( 0.000 0.539 0.000) 0.539 9.959 ( 0.000 -0.067 0.000) 0.067 10.061 ( 0.000 0.643 0.000) 0.643 10.092 ( 0.000 -0.745 0.000) 0.745 10.360 ( 0.000 -1.682 0.000) 1.682 10.363 ( 0.000 -1.575 0.000) 1.575 10.495 ( 0.000 0.935 0.000) 0.935 10.526 ( 0.000 -1.135 0.000) 1.135 10.553 ( 0.000 1.618 0.000) 1.618 10.593 ( 0.000 0.185 0.000) 0.185 10.603 ( 0.000 2.543 0.000) 2.543 10.693 ( 0.000 -2.424 0.000) 2.424 ======================= Grid point 22 (14/70) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 6.347 1.239 0.729) 6.508 0.578 ( 1.139 0.042 2.414) 2.670 0.604 ( 3.782 0.122 -0.465) 3.813 0.730 ( 4.673 0.749 -0.158) 4.735 0.828 ( 2.217 6.081 -1.430) 6.629 0.914 ( -2.037 1.782 -1.803) 3.252 0.967 ( 0.203 -1.867 1.309) 2.289 1.000 ( 0.088 3.591 0.956) 3.717 1.026 ( -0.157 1.858 0.275) 1.885 1.074 ( -0.708 0.005 -0.364) 0.796 1.132 ( 2.179 -1.908 0.397) 2.924 1.175 ( -0.845 -4.575 -0.135) 4.654 1.266 ( -4.031 -1.169 1.069) 4.331 1.375 ( -4.052 -3.353 -0.612) 5.295 1.384 ( -0.907 4.120 -2.318) 4.814 1.441 ( 0.498 2.653 2.668) 3.795 1.551 ( 3.590 -4.297 -1.091) 5.704 1.707 ( -1.395 -6.480 0.952) 6.697 1.784 ( -3.967 0.374 3.801) 5.507 1.829 ( -4.374 -2.952 -1.118) 5.394 1.914 ( 1.685 0.018 -2.661) 3.150 1.922 ( -0.182 0.979 -0.552) 1.138 1.971 ( 0.648 -2.092 2.591) 3.393 2.192 ( -1.588 -4.446 1.403) 4.925 2.372 ( 0.767 4.704 -1.751) 5.077 2.424 ( 1.087 1.681 -0.666) 2.110 2.543 ( -0.077 1.684 -2.672) 3.159 2.646 ( -1.330 -0.070 -0.302) 1.366 2.695 ( -1.779 -0.858 1.639) 2.566 2.750 ( -1.105 -1.566 -3.859) 4.309 2.812 ( -1.481 0.377 -1.099) 1.882 2.838 ( 1.403 0.122 1.265) 1.893 2.958 ( 2.891 1.718 1.520) 3.691 3.005 ( -1.416 2.932 1.955) 3.798 3.049 ( 0.474 0.634 1.148) 1.394 3.162 ( -2.541 -0.716 -1.259) 2.925 3.188 ( -1.330 -0.834 1.696) 2.310 3.209 ( -0.592 -2.964 -2.089) 3.674 3.400 ( 1.137 1.949 0.094) 2.258 3.415 ( 1.334 0.962 0.556) 1.736 3.905 ( 2.607 0.599 0.061) 2.676 3.929 ( 3.509 -0.610 -0.250) 3.570 4.283 ( -1.126 1.449 0.024) 1.835 4.301 ( -0.394 0.450 0.007) 0.599 4.875 ( -0.029 -0.064 -0.084) 0.110 4.879 ( 0.124 0.472 0.094) 0.497 4.909 ( 0.334 -0.004 0.019) 0.334 4.948 ( -0.258 -0.475 -0.094) 0.548 5.008 ( 0.203 1.087 0.218) 1.127 5.047 ( 0.046 -0.669 0.028) 0.671 5.093 ( -0.151 0.173 0.003) 0.230 5.121 ( 0.118 -1.340 -0.163) 1.355 5.207 ( -0.072 0.976 -0.033) 0.979 5.256 ( 0.114 -1.402 -0.142) 1.413 5.559 ( -0.123 0.369 0.009) 0.389 5.579 ( 0.297 -0.664 0.187) 0.751 9.273 ( 0.071 0.220 0.136) 0.268 9.279 ( 0.073 0.073 -0.311) 0.328 9.393 ( 0.208 0.211 0.298) 0.420 9.411 ( -0.193 -0.349 -0.070) 0.405 9.947 ( 0.083 0.456 -0.063) 0.468 9.961 ( 0.121 -0.184 0.048) 0.226 10.061 ( 0.002 0.585 -0.018) 0.585 10.091 ( -0.100 -0.758 -0.017) 0.764 10.368 ( 0.873 -1.273 -0.185) 1.555 10.372 ( 0.893 -1.380 0.069) 1.646 10.494 ( -0.102 1.054 -0.168) 1.072 10.523 ( -0.324 -0.301 -0.493) 0.662 10.554 ( 0.082 0.849 -0.012) 0.853 10.586 ( -0.706 0.562 0.889) 1.267 10.602 ( -0.104 1.798 -0.357) 1.836 10.686 ( -0.738 -2.319 0.311) 2.454 ======================= Grid point 23 (15/70) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 5.358 2.511 -0.327) 5.926 0.609 ( 1.868 2.696 3.178) 4.567 0.711 ( 6.377 -1.199 -0.216) 6.493 0.808 ( 2.969 -1.463 -0.660) 3.375 0.865 ( 1.379 6.034 0.004) 6.189 0.876 ( -1.254 5.589 -2.163) 6.122 0.945 ( -2.721 0.303 1.163) 2.975 1.017 ( -0.596 -1.784 0.444) 1.933 1.027 ( 0.548 1.986 0.484) 2.116 1.069 ( 0.594 -0.726 -0.568) 1.096 1.112 ( -1.360 2.696 0.233) 3.029 1.191 ( 0.339 -2.726 1.818) 3.294 1.222 ( -0.370 -2.373 -0.626) 2.482 1.299 ( -2.185 1.317 -4.923) 5.545 1.361 ( -1.481 0.874 3.639) 4.025 1.469 ( 1.871 -3.039 0.624) 3.623 1.609 ( 2.450 -3.884 -0.602) 4.632 1.630 ( -5.206 -7.987 0.068) 9.534 1.729 ( -5.522 -5.118 1.444) 7.666 1.753 ( -0.790 -2.871 1.524) 3.345 1.889 ( -1.422 -0.589 -0.163) 1.548 1.956 ( 0.866 -2.114 -0.344) 2.310 2.001 ( 3.008 4.698 -0.149) 5.581 2.147 ( -3.274 -0.400 1.494) 3.621 2.383 ( 0.761 5.189 -2.564) 5.837 2.433 ( -0.416 2.460 0.841) 2.632 2.557 ( 1.911 0.051 -3.707) 4.171 2.603 ( -2.117 -1.535 0.028) 2.615 2.668 ( -1.272 -0.071 -0.805) 1.507 2.730 ( -0.523 -2.661 -0.316) 2.730 2.799 ( -0.202 1.890 -0.242) 1.916 2.872 ( 1.784 -0.094 1.375) 2.254 2.957 ( -1.182 2.125 0.268) 2.446 3.023 ( 0.770 1.720 1.563) 2.448 3.055 ( -0.017 1.036 0.874) 1.355 3.105 ( -2.477 -3.170 -0.636) 4.073 3.175 ( -0.162 0.341 -0.237) 0.446 3.192 ( -0.758 -1.334 -0.468) 1.604 3.424 ( 1.107 1.858 0.251) 2.177 3.437 ( 0.756 1.250 0.249) 1.482 3.965 ( 3.131 0.787 0.018) 3.228 3.993 ( 2.710 -0.602 -0.221) 2.785 4.256 ( -1.457 1.637 0.022) 2.192 4.292 ( -0.489 -0.295 0.026) 0.571 4.874 ( -0.013 -0.004 -0.061) 0.063 4.882 ( 0.118 0.441 0.041) 0.458 4.918 ( 0.470 -0.169 0.090) 0.507 4.941 ( -0.406 -0.095 -0.132) 0.437 5.012 ( 0.203 0.705 0.209) 0.763 5.047 ( 0.036 -0.583 0.028) 0.584 5.090 ( -0.132 0.127 0.011) 0.183 5.123 ( 0.068 -1.509 -0.202) 1.524 5.206 ( -0.021 1.099 0.006) 1.099 5.258 ( 0.101 -1.356 -0.128) 1.365 5.557 ( -0.071 0.472 0.025) 0.478 5.585 ( 0.232 -0.992 0.148) 1.030 9.275 ( 0.104 0.194 0.128) 0.255 9.280 ( 0.035 -0.038 -0.290) 0.295 9.397 ( 0.157 -0.046 0.264) 0.311 9.407 ( -0.209 -0.277 -0.062) 0.353 9.951 ( 0.299 0.180 -0.065) 0.355 9.962 ( -0.106 -0.285 0.059) 0.310 10.061 ( 0.032 0.471 -0.018) 0.472 10.089 ( -0.119 -0.769 -0.018) 0.778 10.388 ( 1.038 -0.560 -0.048) 1.180 10.391 ( 0.976 -0.803 -0.066) 1.265 10.492 ( -0.075 1.390 -0.163) 1.402 10.511 ( -0.739 1.058 -0.432) 1.361 10.556 ( 0.145 -0.373 -0.210) 0.452 10.574 ( -0.590 0.360 0.677) 0.967 10.600 ( 0.061 0.819 0.017) 0.821 10.670 ( -0.845 -2.027 0.282) 2.214 ======================= Grid point 24 (16/70) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.587 ( -0.000 3.372 0.000) 3.372 0.639 ( 0.000 1.423 -0.000) 1.423 0.805 ( -0.000 -0.866 0.000) 0.866 0.830 ( -0.000 9.049 0.000) 9.049 0.855 ( 0.000 4.218 -0.000) 4.218 0.867 ( 0.000 -2.511 -0.000) 2.511 0.930 ( 0.000 2.595 0.000) 2.595 0.962 ( -0.000 -4.293 -0.000) 4.293 1.041 ( -0.000 2.017 -0.000) 2.017 1.079 ( 0.000 -0.990 0.000) 0.990 1.127 ( 0.000 6.417 0.000) 6.417 1.175 ( 0.000 -2.424 -0.000) 2.424 1.233 ( -0.000 -1.979 0.000) 1.979 1.273 ( 0.000 0.480 -0.000) 0.480 1.352 ( 0.000 0.511 -0.000) 0.511 1.494 ( -0.000 -6.347 0.000) 6.347 1.576 ( 0.000 -7.400 -0.000) 7.400 1.631 ( 0.000 0.487 -0.000) 0.487 1.663 ( -0.000 -10.202 0.000) 10.202 1.746 ( 0.000 -5.325 0.000) 5.325 1.874 ( 0.000 0.730 0.000) 0.730 1.960 ( 0.000 -2.615 -0.000) 2.615 2.058 ( -0.000 4.058 -0.000) 4.058 2.092 ( 0.000 2.474 0.000) 2.474 2.389 ( 0.000 5.647 -0.000) 5.647 2.425 ( -0.000 2.806 0.000) 2.806 2.577 ( -0.000 -0.253 0.000) 0.253 2.581 ( 0.000 -1.342 -0.000) 1.342 2.655 ( 0.000 -0.937 0.000) 0.937 2.724 ( 0.000 -3.707 -0.000) 3.707 2.797 ( 0.000 3.739 -0.000) 3.739 2.898 ( 0.000 -0.823 0.000) 0.823 2.946 ( 0.000 2.032 -0.000) 2.032 3.015 ( 0.000 -0.142 -0.000) 0.142 3.058 ( 0.000 1.326 -0.000) 1.326 3.085 ( 0.000 -2.518 0.000) 2.518 3.177 ( -0.000 -0.317 0.000) 0.317 3.182 ( 0.000 0.259 -0.000) 0.259 3.436 ( 0.000 1.585 0.000) 1.585 3.444 ( 0.000 1.651 -0.000) 1.651 4.001 ( 0.000 0.660 -0.000) 0.660 4.018 ( -0.000 -0.205 -0.000) 0.205 4.240 ( 0.000 1.761 -0.000) 1.761 4.286 ( 0.000 -0.761 -0.000) 0.761 4.874 ( 0.000 0.013 0.000) 0.013 4.883 ( 0.000 0.433 -0.000) 0.433 4.924 ( 0.000 -0.432 0.000) 0.432 4.935 ( -0.000 0.261 0.000) 0.261 5.015 ( -0.000 0.521 -0.000) 0.521 5.048 ( 0.000 -0.530 -0.000) 0.530 5.088 ( 0.000 0.098 0.000) 0.098 5.123 ( 0.000 -1.567 -0.000) 1.567 5.206 ( 0.000 1.138 0.000) 1.138 5.259 ( 0.000 -1.325 -0.000) 1.325 5.557 ( 0.000 0.508 0.000) 0.508 5.587 ( 0.000 -1.120 -0.000) 1.120 9.276 ( 0.000 0.213 0.000) 0.213 9.279 ( -0.000 -0.113 -0.000) 0.113 9.399 ( 0.000 -0.150 -0.000) 0.150 9.404 ( 0.000 -0.243 0.000) 0.243 9.955 ( 0.000 -0.062 -0.000) 0.062 9.959 ( -0.000 -0.219 0.000) 0.219 10.062 ( 0.000 0.414 -0.000) 0.414 10.087 ( 0.000 -0.767 0.000) 0.767 10.400 ( 0.000 -0.410 0.000) 0.410 10.401 ( -0.000 -0.238 -0.000) 0.238 10.492 ( 0.000 1.813 0.000) 1.813 10.501 ( 0.000 1.203 -0.000) 1.203 10.557 ( 0.000 -0.607 -0.000) 0.607 10.568 ( 0.000 0.055 0.000) 0.055 10.602 ( 0.000 0.189 0.000) 0.189 10.661 ( 0.000 -1.780 -0.000) 1.780 ======================= Grid point 28 (17/70) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 0.000 -5.451 0.000) 5.451 0.393 ( 0.000 5.451 0.000) 5.451 0.693 ( 0.000 -0.437 0.000) 0.437 0.693 ( 0.000 0.437 0.000) 0.437 0.916 ( 0.000 -2.753 0.000) 2.753 0.916 ( 0.000 2.753 0.000) 2.753 0.967 ( 0.000 -6.147 0.000) 6.147 0.967 ( 0.000 6.147 0.000) 6.147 1.059 ( 0.000 -1.768 0.000) 1.768 1.059 ( 0.000 1.768 0.000) 1.768 1.105 ( 0.000 -0.039 0.000) 0.039 1.105 ( 0.000 0.039 0.000) 0.039 1.327 ( 0.000 -0.153 0.000) 0.153 1.327 ( 0.000 0.153 0.000) 0.153 1.458 ( 0.000 -1.051 0.000) 1.051 1.458 ( 0.000 1.051 0.000) 1.051 1.598 ( 0.000 -7.551 0.000) 7.551 1.598 ( 0.000 7.551 0.000) 7.551 1.840 ( 0.000 -0.800 0.000) 0.800 1.840 ( 0.000 0.800 0.000) 0.800 1.896 ( 0.000 -0.997 0.000) 0.997 1.896 ( 0.000 0.997 0.000) 0.997 2.049 ( 0.000 -8.622 0.000) 8.622 2.049 ( 0.000 8.622 0.000) 8.622 2.426 ( 0.000 -1.183 0.000) 1.183 2.426 ( 0.000 1.183 0.000) 1.183 2.613 ( 0.000 -4.025 0.000) 4.025 2.613 ( 0.000 4.025 0.000) 4.025 2.722 ( 0.000 -2.181 0.000) 2.181 2.722 ( 0.000 2.181 0.000) 2.181 2.839 ( 0.000 -0.499 0.000) 0.499 2.839 ( 0.000 0.499 0.000) 0.499 2.979 ( 0.000 -4.137 0.000) 4.137 2.979 ( 0.000 4.137 0.000) 4.137 3.112 ( 0.000 -4.066 0.000) 4.066 3.112 ( 0.000 4.066 0.000) 4.066 3.205 ( 0.000 -0.306 0.000) 0.306 3.205 ( 0.000 0.306 0.000) 0.306 3.408 ( 0.000 -0.034 0.000) 0.034 3.408 ( 0.000 0.034 0.000) 0.034 3.885 ( 0.000 -0.078 0.000) 0.078 3.885 ( 0.000 0.078 0.000) 0.078 4.310 ( 0.000 -0.243 0.000) 0.243 4.310 ( 0.000 0.243 0.000) 0.243 4.876 ( 0.000 -0.293 0.000) 0.293 4.876 ( 0.000 0.293 0.000) 0.293 4.928 ( 0.000 -1.462 0.000) 1.462 4.928 ( 0.000 1.462 0.000) 1.462 5.029 ( 0.000 -1.048 0.000) 1.048 5.029 ( 0.000 1.048 0.000) 1.048 5.102 ( 0.000 -0.619 0.000) 0.619 5.102 ( 0.000 0.619 0.000) 0.619 5.229 ( 0.000 -1.216 0.000) 1.216 5.229 ( 0.000 1.216 0.000) 1.216 5.567 ( 0.000 -0.370 0.000) 0.370 5.567 ( 0.000 0.370 0.000) 0.370 9.278 ( 0.000 -0.224 0.000) 0.224 9.278 ( 0.000 0.224 0.000) 0.224 9.401 ( 0.000 -0.689 0.000) 0.689 9.401 ( 0.000 0.689 0.000) 0.689 9.956 ( 0.000 -0.328 0.000) 0.328 9.956 ( 0.000 0.328 0.000) 0.328 10.076 ( 0.000 -0.830 0.000) 0.830 10.076 ( 0.000 0.830 0.000) 0.830 10.343 ( 0.000 -0.155 0.000) 0.155 10.343 ( 0.000 0.155 0.000) 0.155 10.508 ( 0.000 -0.678 0.000) 0.678 10.508 ( 0.000 0.678 0.000) 0.678 10.583 ( 0.000 -1.143 0.000) 1.143 10.583 ( 0.000 1.143 0.000) 1.143 10.650 ( 0.000 -2.138 0.000) 2.138 10.650 ( 0.000 2.138 0.000) 2.138 ======================= Grid point 30 (18/70) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.469 ( 6.771 -4.712 0.299) 8.255 0.469 ( 6.771 4.712 0.299) 8.255 0.698 ( 0.793 -3.737 0.737) 3.891 0.698 ( 0.793 3.737 0.737) 3.891 0.925 ( 0.954 -1.922 0.244) 2.160 0.925 ( 0.954 1.922 0.244) 2.160 1.002 ( 3.107 -6.943 -0.389) 7.616 1.002 ( 3.107 6.943 -0.389) 7.616 1.056 ( -0.825 -1.657 0.337) 1.882 1.056 ( -0.825 1.657 0.337) 1.882 1.092 ( -0.873 -2.749 -0.621) 2.950 1.092 ( -0.873 2.749 -0.621) 2.950 1.288 ( -3.029 -2.718 0.883) 4.164 1.288 ( -3.029 2.718 0.883) 4.164 1.483 ( 1.595 -1.397 0.528) 2.185 1.483 ( 1.595 1.397 0.528) 2.185 1.555 ( -3.928 -7.685 -1.511) 8.762 1.555 ( -3.928 7.685 -1.511) 8.762 1.794 ( -4.336 -0.645 1.094) 4.518 1.794 ( -4.336 0.645 1.094) 4.518 1.900 ( 0.381 -1.668 0.689) 1.845 1.900 ( 0.381 1.668 0.689) 1.845 2.072 ( 1.846 -7.242 0.104) 7.474 2.072 ( 1.846 7.242 0.104) 7.474 2.436 ( 1.130 -1.353 -0.956) 2.005 2.436 ( 1.130 1.353 -0.956) 2.005 2.590 ( -1.857 -3.401 -0.257) 3.884 2.590 ( -1.857 3.401 -0.257) 3.884 2.717 ( -1.141 -1.772 -1.398) 2.529 2.717 ( -1.141 1.772 -1.398) 2.529 2.828 ( 0.145 -0.997 -0.697) 1.225 2.828 ( 0.145 0.997 -0.697) 1.225 3.010 ( 1.846 -2.558 2.750) 4.184 3.010 ( 1.846 2.558 2.750) 4.184 3.089 ( -2.178 -3.513 0.083) 4.134 3.089 ( -2.178 3.513 0.083) 4.134 3.193 ( -0.824 -0.406 -1.449) 1.716 3.193 ( -0.824 0.406 -1.449) 1.716 3.423 ( 1.242 -0.331 0.510) 1.383 3.423 ( 1.242 0.331 0.510) 1.383 3.917 ( 3.052 -0.600 -0.065) 3.111 3.917 ( 3.052 0.600 -0.065) 3.111 4.302 ( -0.876 -0.423 0.019) 0.973 4.302 ( -0.876 0.423 0.019) 0.973 4.877 ( 0.095 -0.330 0.023) 0.344 4.877 ( 0.095 0.330 0.023) 0.344 4.928 ( 0.047 -1.324 -0.013) 1.325 4.928 ( 0.047 1.324 -0.013) 1.325 5.030 ( 0.050 -1.044 0.075) 1.048 5.030 ( 0.050 1.044 0.075) 1.048 5.101 ( -0.089 -0.710 -0.082) 0.721 5.101 ( -0.089 0.710 -0.082) 0.721 5.230 ( 0.071 -1.275 -0.026) 1.278 5.230 ( 0.071 1.275 -0.026) 1.278 5.567 ( 0.035 -0.490 0.044) 0.493 5.567 ( 0.035 0.490 0.044) 0.493 9.278 ( 0.021 -0.208 -0.050) 0.215 9.278 ( 0.021 0.208 -0.050) 0.215 9.401 ( -0.046 -0.559 0.084) 0.567 9.401 ( -0.046 0.559 0.084) 0.567 9.956 ( -0.018 -0.390 0.004) 0.391 9.956 ( -0.018 0.390 0.004) 0.391 10.075 ( -0.085 -0.807 -0.004) 0.811 10.075 ( -0.085 0.807 -0.004) 0.811 10.355 ( 1.238 -0.141 -0.147) 1.255 10.355 ( 1.238 0.141 -0.147) 1.255 10.509 ( 0.100 -0.739 -0.105) 0.753 10.509 ( 0.100 0.739 -0.105) 0.753 10.578 ( -0.499 -1.040 -0.066) 1.156 10.578 ( -0.499 1.040 -0.066) 1.156 10.643 ( -0.627 -2.093 0.293) 2.204 10.643 ( -0.627 2.093 0.293) 2.204 ======================= Grid point 32 (19/70) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 5.655 -3.124 0.338) 6.469 0.598 ( 5.655 3.124 0.338) 6.469 0.737 ( 3.165 -3.881 0.989) 5.104 0.737 ( 3.165 3.881 0.989) 5.104 0.939 ( -0.792 -1.620 0.493) 1.869 0.939 ( -0.792 1.620 0.493) 1.869 1.010 ( -1.483 -2.817 -1.453) 3.500 1.010 ( -1.483 2.817 -1.453) 3.500 1.064 ( 1.315 -5.943 0.483) 6.106 1.064 ( 1.315 5.943 0.483) 6.106 1.088 ( 0.701 -3.730 -0.212) 3.801 1.088 ( 0.701 3.730 -0.212) 3.801 1.256 ( 0.243 -4.491 1.003) 4.608 1.256 ( 0.243 4.491 1.003) 4.608 1.457 ( -4.342 -7.141 -1.066) 8.425 1.457 ( -4.342 7.141 -1.066) 8.425 1.508 ( -0.382 -3.918 -0.328) 3.951 1.508 ( -0.382 3.918 -0.328) 3.951 1.711 ( -3.898 -1.359 1.593) 4.425 1.711 ( -3.898 1.359 1.593) 4.425 1.906 ( 0.051 -2.180 0.586) 2.258 1.906 ( 0.051 2.180 0.586) 2.258 2.102 ( 1.085 -4.204 -0.073) 4.342 2.102 ( 1.085 4.204 -0.073) 4.342 2.456 ( 0.855 -1.445 -1.285) 2.115 2.456 ( 0.855 1.445 -1.285) 2.115 2.562 ( -0.780 -1.623 0.205) 1.812 2.562 ( -0.780 1.623 0.205) 1.812 2.682 ( -1.550 -1.702 -1.587) 2.796 2.682 ( -1.550 1.703 -1.587) 2.796 2.847 ( 1.401 -2.142 0.186) 2.566 2.847 ( 1.401 2.142 0.186) 2.566 3.011 ( -2.298 -2.998 1.154) 3.949 3.011 ( -2.298 2.998 1.154) 3.949 3.067 ( 0.331 -0.436 0.550) 0.776 3.067 ( 0.331 0.436 0.550) 0.776 3.180 ( -0.143 -0.208 -0.992) 1.024 3.180 ( -0.143 0.208 -0.992) 1.024 3.446 ( 0.966 -0.356 0.395) 1.103 3.446 ( 0.966 0.356 0.395) 1.103 3.980 ( 3.023 -0.719 -0.078) 3.108 3.980 ( 3.023 0.719 -0.078) 3.108 4.281 ( -1.128 -0.855 0.034) 1.416 4.281 ( -1.128 0.855 0.034) 1.416 4.879 ( 0.100 -0.420 0.027) 0.433 4.879 ( 0.100 0.420 0.027) 0.433 4.929 ( 0.035 -0.943 -0.022) 0.943 4.929 ( 0.035 0.943 -0.022) 0.943 5.031 ( 0.052 -1.029 0.077) 1.033 5.031 ( 0.052 1.029 0.077) 1.033 5.099 ( -0.094 -0.855 -0.087) 0.865 5.099 ( -0.094 0.855 -0.087) 0.865 5.231 ( 0.083 -1.369 -0.016) 1.371 5.231 ( 0.083 1.369 -0.016) 1.371 5.568 ( 0.038 -0.672 0.040) 0.674 5.568 ( 0.038 0.672 0.040) 0.674 9.278 ( 0.028 -0.137 -0.049) 0.148 9.278 ( 0.028 0.137 -0.049) 0.148 9.400 ( -0.067 -0.309 0.077) 0.326 9.400 ( -0.067 0.309 0.077) 0.326 9.956 ( -0.012 -0.311 0.006) 0.311 9.956 ( -0.012 0.311 0.006) 0.311 10.073 ( -0.073 -0.733 -0.005) 0.736 10.073 ( -0.073 0.733 -0.005) 0.736 10.382 ( 1.391 -0.108 -0.164) 1.405 10.382 ( 1.391 0.108 -0.164) 1.405 10.512 ( 0.184 -0.735 -0.119) 0.767 10.512 ( 0.184 0.735 -0.119) 0.767 10.565 ( -0.811 -0.856 -0.033) 1.180 10.565 ( -0.811 0.856 -0.033) 1.180 10.631 ( -0.554 -1.881 0.295) 1.983 10.631 ( -0.554 1.881 0.295) 1.983 ======================= Grid point 34 (20/70) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( 0.000 -1.209 -0.000) 1.209 0.655 ( 0.000 1.209 0.000) 1.209 0.790 ( 0.000 -2.530 -0.000) 2.530 0.790 ( 0.000 2.530 -0.000) 2.530 0.899 ( 0.000 -1.139 -0.000) 1.139 0.899 ( 0.000 1.139 0.000) 1.139 1.009 ( 0.000 -4.653 -0.000) 4.653 1.009 ( 0.000 4.653 -0.000) 4.653 1.069 ( 0.000 -5.614 -0.000) 5.614 1.069 ( 0.000 5.614 -0.000) 5.614 1.098 ( 0.000 -4.107 0.000) 4.107 1.098 ( 0.000 4.107 0.000) 4.107 1.278 ( 0.000 -3.226 0.000) 3.226 1.278 ( 0.000 3.226 0.000) 3.226 1.403 ( 0.000 -2.251 -0.000) 2.251 1.403 ( 0.000 2.251 -0.000) 2.251 1.496 ( 0.000 -2.928 0.000) 2.928 1.496 ( 0.000 2.928 0.000) 2.928 1.675 ( 0.000 -2.447 0.000) 2.447 1.675 ( 0.000 2.447 0.000) 2.447 1.906 ( 0.000 -2.448 0.000) 2.448 1.906 ( 0.000 2.449 -0.000) 2.449 2.112 ( 0.000 -0.908 -0.000) 0.908 2.112 ( 0.000 0.908 0.000) 0.908 2.461 ( 0.000 -0.471 -0.000) 0.471 2.461 ( 0.000 0.471 -0.000) 0.471 2.558 ( 0.000 -0.310 0.000) 0.310 2.558 ( 0.000 0.310 0.000) 0.310 2.665 ( 0.000 -2.003 -0.000) 2.003 2.665 ( 0.000 2.003 -0.000) 2.003 2.864 ( 0.000 -2.674 0.000) 2.674 2.864 ( 0.000 2.674 -0.000) 2.674 2.982 ( 0.000 -2.055 0.000) 2.055 2.982 ( 0.000 2.055 -0.000) 2.055 3.073 ( 0.000 -0.121 -0.000) 0.121 3.073 ( 0.000 0.121 -0.000) 0.121 3.180 ( 0.000 -0.394 0.000) 0.394 3.180 ( 0.000 0.394 0.000) 0.394 3.456 ( 0.000 -0.300 -0.000) 0.300 3.456 ( 0.000 0.300 0.000) 0.300 4.012 ( 0.000 -0.427 -0.000) 0.427 4.012 ( 0.000 0.427 -0.000) 0.427 4.268 ( 0.000 -1.130 -0.000) 1.130 4.268 ( 0.000 1.130 -0.000) 1.130 4.880 ( 0.000 -0.473 -0.000) 0.473 4.880 ( 0.000 0.473 0.000) 0.473 4.930 ( 0.000 -0.636 0.000) 0.636 4.930 ( 0.000 0.636 -0.000) 0.636 5.032 ( 0.000 -1.018 0.000) 1.018 5.032 ( 0.000 1.018 0.000) 1.018 5.098 ( 0.000 -0.915 -0.000) 0.915 5.098 ( 0.000 0.915 -0.000) 0.915 5.232 ( 0.000 -1.402 -0.000) 1.402 5.232 ( 0.000 1.402 -0.000) 1.402 5.569 ( 0.000 -0.748 0.000) 0.748 5.569 ( 0.000 0.748 0.000) 0.748 9.278 ( 0.000 -0.038 0.000) 0.038 9.278 ( 0.000 0.038 0.000) 0.038 9.399 ( 0.000 -0.187 0.000) 0.187 9.399 ( 0.000 0.187 0.000) 0.187 9.956 ( 0.000 -0.105 -0.000) 0.105 9.956 ( 0.000 0.105 0.000) 0.105 10.073 ( 0.000 -0.683 -0.000) 0.683 10.073 ( 0.000 0.683 0.000) 0.683 10.397 ( 0.000 -0.055 0.000) 0.055 10.397 ( 0.000 0.055 0.000) 0.055 10.514 ( 0.000 -0.157 0.000) 0.157 10.514 ( 0.000 0.157 0.000) 0.157 10.555 ( 0.000 -0.583 -0.000) 0.583 10.555 ( 0.000 0.583 -0.000) 0.583 10.626 ( 0.000 -1.688 -0.000) 1.688 10.626 ( 0.000 1.688 0.000) 1.688 ======================= Grid point 63 (21/70) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.204 ( 0.463 0.000 10.198) 10.209 0.218 ( -2.960 0.000 10.380) 10.794 0.526 ( 5.076 0.000 23.113) 23.664 0.614 ( 2.899 0.000 -7.347) 7.898 0.639 ( -0.706 0.000 -9.162) 9.189 0.796 ( -0.595 0.000 2.620) 2.687 0.863 ( -4.456 0.000 4.379) 6.247 0.928 ( -1.288 0.000 0.294) 1.321 0.991 ( 2.477 0.000 -2.078) 3.233 1.070 ( -1.624 0.000 -0.051) 1.625 1.160 ( -0.776 0.000 -2.268) 2.398 1.283 ( 0.219 0.000 -2.596) 2.606 1.343 ( -1.718 0.000 5.626) 5.882 1.382 ( 3.489 0.000 -1.181) 3.683 1.416 ( -3.111 0.000 -3.449) 4.645 1.507 ( 3.598 0.000 3.993) 5.375 1.652 ( 0.804 0.000 1.160) 1.411 1.671 ( -1.963 0.000 0.976) 2.192 1.870 ( 0.825 0.000 -3.317) 3.418 1.929 ( -2.332 0.000 -8.257) 8.580 2.058 ( -2.521 0.000 -0.073) 2.522 2.126 ( 5.883 0.000 -3.760) 6.982 2.247 ( 1.070 0.000 -1.739) 2.041 2.280 ( -4.754 0.000 0.600) 4.791 2.339 ( -2.078 0.000 -1.905) 2.819 2.389 ( -1.108 0.000 -2.531) 2.763 2.533 ( 0.068 0.000 5.005) 5.005 2.621 ( 0.362 0.000 -0.272) 0.453 2.647 ( -2.384 0.000 7.319) 7.698 2.724 ( -0.638 0.000 0.199) 0.668 2.766 ( -7.711 0.000 5.459) 9.448 2.853 ( 1.590 0.000 -1.340) 2.079 2.906 ( -3.105 0.000 -2.656) 4.086 2.954 ( 0.567 0.000 -0.565) 0.800 3.046 ( 6.116 0.000 1.294) 6.251 3.107 ( 7.380 0.000 1.995) 7.645 3.138 ( 0.537 0.000 -1.841) 1.918 3.234 ( -2.646 0.000 -3.117) 4.088 3.329 ( 2.088 0.000 2.605) 3.338 3.481 ( 0.097 0.000 -3.198) 3.199 3.860 ( 0.185 0.000 0.692) 0.717 3.880 ( -2.239 0.000 -0.072) 2.240 4.200 ( -0.005 0.000 0.983) 0.983 4.247 ( -0.004 0.000 -0.803) 0.803 4.834 ( 0.030 0.000 0.808) 0.809 4.887 ( -0.453 0.000 -1.338) 1.413 4.951 ( -0.076 0.000 0.329) 0.338 4.957 ( 0.587 0.000 0.198) 0.620 4.973 ( -0.100 0.000 2.273) 2.276 5.076 ( -0.737 0.000 -1.344) 1.533 5.096 ( -0.017 0.000 0.459) 0.460 5.151 ( 0.154 0.000 -1.857) 1.864 5.202 ( 0.969 0.000 1.640) 1.905 5.291 ( -0.622 0.000 -1.789) 1.895 5.556 ( -0.137 0.000 1.132) 1.141 5.604 ( 2.373 0.000 -0.756) 2.490 9.267 ( 0.199 0.000 0.424) 0.469 9.287 ( -0.128 0.000 -0.347) 0.370 9.399 ( 0.344 0.000 -0.041) 0.347 9.401 ( -0.338 0.000 -0.141) 0.366 9.955 ( 0.117 0.000 0.180) 0.215 9.965 ( -0.098 0.000 -0.193) 0.217 10.053 ( -0.099 0.000 0.694) 0.701 10.098 ( 0.271 0.000 -1.025) 1.061 10.293 ( 0.579 0.000 0.500) 0.765 10.298 ( -0.193 0.000 0.256) 0.321 10.443 ( 0.037 0.000 1.967) 1.967 10.492 ( 0.604 0.000 1.097) 1.252 10.560 ( 0.085 0.000 -1.793) 1.795 10.577 ( 0.099 0.000 -1.381) 1.385 10.762 ( 0.508 0.000 0.545) 0.745 10.793 ( 0.133 0.000 -0.604) 0.618 ======================= Grid point 64 (22/70) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.321 ( 8.361 0.000 7.588) 11.290 0.353 ( 11.081 0.000 5.288) 12.278 0.619 ( 1.249 0.000 -4.410) 4.584 0.697 ( 7.053 0.000 14.251) 15.901 0.720 ( 8.635 0.000 -5.367) 10.167 0.775 ( -4.809 0.000 4.116) 6.330 0.826 ( 3.044 0.000 2.288) 3.808 0.925 ( 1.012 0.000 -0.698) 1.229 1.014 ( -4.553 0.000 -1.294) 4.734 1.025 ( 1.262 0.000 -0.999) 1.609 1.120 ( -2.793 0.000 -0.409) 2.823 1.242 ( -3.898 0.000 -0.495) 3.929 1.332 ( -4.368 0.000 -4.451) 6.237 1.346 ( 1.900 0.000 2.035) 2.784 1.395 ( -3.144 0.000 -0.866) 3.262 1.590 ( 3.714 0.000 7.860) 8.694 1.671 ( 2.256 0.000 -1.312) 2.609 1.683 ( 1.544 0.000 1.508) 2.158 1.881 ( 1.004 0.000 -3.167) 3.322 1.887 ( 0.151 0.000 -10.765) 10.766 1.976 ( -5.396 0.000 -0.943) 5.478 2.119 ( -6.581 0.000 -1.645) 6.784 2.249 ( 1.021 0.000 -2.083) 2.319 2.275 ( 0.946 0.000 2.870) 3.022 2.330 ( 2.453 0.000 0.979) 2.641 2.368 ( -0.572 0.000 -1.973) 2.055 2.512 ( -5.326 0.000 12.103) 13.223 2.540 ( 0.116 0.000 3.073) 3.075 2.675 ( -0.504 0.000 0.775) 0.925 2.678 ( -3.338 0.000 0.027) 3.338 2.758 ( 2.968 0.000 2.465) 3.858 2.846 ( -1.973 0.000 -3.836) 4.314 2.908 ( 3.170 0.000 -0.075) 3.171 2.954 ( -0.455 0.000 -0.720) 0.852 3.093 ( 0.422 0.000 1.243) 1.313 3.095 ( -4.222 0.000 -0.727) 4.284 3.166 ( -0.062 0.000 1.820) 1.821 3.220 ( 1.908 0.000 -3.964) 4.399 3.355 ( -0.193 0.000 1.638) 1.649 3.468 ( -0.943 0.000 -3.369) 3.499 3.895 ( 3.003 0.000 1.163) 3.221 3.933 ( 4.616 0.000 -2.948) 5.477 4.192 ( -1.017 0.000 1.098) 1.496 4.261 ( 1.344 0.000 -2.434) 2.781 4.841 ( 0.466 0.000 0.917) 1.029 4.876 ( -0.352 0.000 -1.071) 1.128 4.947 ( -0.302 0.000 0.432) 0.527 4.974 ( 1.045 0.000 -0.034) 1.045 4.975 ( -0.224 0.000 2.287) 2.298 5.054 ( -1.074 0.000 -0.965) 1.444 5.096 ( -0.076 0.000 0.493) 0.499 5.153 ( 0.390 0.000 -1.913) 1.952 5.216 ( 0.038 0.000 2.000) 2.000 5.278 ( -0.241 0.000 -2.154) 2.167 5.555 ( -0.138 0.000 0.961) 0.971 5.639 ( 1.070 0.000 -2.246) 2.488 9.269 ( -0.068 0.000 0.583) 0.587 9.285 ( -0.021 0.000 -0.467) 0.468 9.391 ( -0.327 0.000 -0.507) 0.603 9.401 ( -0.086 0.000 0.020) 0.088 9.957 ( -0.031 0.000 0.219) 0.221 9.962 ( -0.104 0.000 -0.295) 0.313 10.053 ( -0.084 0.000 0.703) 0.708 10.100 ( 0.121 0.000 -0.924) 0.932 10.318 ( 2.068 0.000 0.408) 2.108 10.342 ( 3.256 0.000 -0.891) 3.376 10.447 ( -0.045 0.000 2.116) 2.116 10.508 ( 0.904 0.000 0.128) 0.913 10.556 ( -0.246 0.000 -1.688) 1.705 10.581 ( 0.609 0.000 -1.547) 1.662 10.701 ( -5.148 0.000 3.527) 6.240 10.776 ( -1.601 0.000 -0.933) 1.853 ======================= Grid point 65 (23/70) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 8.923 0.000 5.242) 10.349 0.539 ( 4.403 0.000 2.613) 5.120 0.648 ( 1.249 0.000 3.572) 3.784 0.685 ( 0.953 0.000 -3.990) 4.102 0.841 ( -2.569 0.000 1.774) 3.122 0.890 ( 7.580 0.000 12.952) 15.007 0.897 ( 3.444 0.000 -0.923) 3.565 0.918 ( 1.241 0.000 -4.684) 4.846 0.948 ( 1.236 0.000 -2.527) 2.813 1.044 ( 1.418 0.000 -2.731) 3.077 1.061 ( -2.775 0.000 0.724) 2.868 1.161 ( -4.848 0.000 0.459) 4.869 1.266 ( -0.287 0.000 -6.205) 6.211 1.275 ( -8.851 0.000 2.044) 9.084 1.407 ( 3.479 0.000 4.249) 5.491 1.666 ( 3.156 0.000 3.280) 4.552 1.699 ( -0.102 0.000 0.780) 0.787 1.700 ( -1.432 0.000 -1.966) 2.433 1.869 ( -0.038 0.000 -2.566) 2.566 1.882 ( -1.771 0.000 -4.516) 4.850 1.918 ( 1.381 0.000 -8.260) 8.374 1.988 ( -4.865 0.000 1.651) 5.138 2.242 ( -0.373 0.000 -0.902) 0.976 2.262 ( -2.944 0.000 3.735) 4.756 2.375 ( 1.106 0.000 1.475) 1.843 2.418 ( 5.241 0.000 0.804) 5.303 2.475 ( -1.171 0.000 9.907) 9.976 2.552 ( 0.608 0.000 1.241) 1.382 2.617 ( -2.720 0.000 0.734) 2.817 2.663 ( -0.329 0.000 -0.020) 0.329 2.757 ( -2.505 0.000 -3.149) 4.024 2.867 ( 3.108 0.000 1.229) 3.342 2.916 ( -2.986 0.000 -2.671) 4.007 2.958 ( 1.311 0.000 -0.377) 1.364 3.027 ( -2.056 0.000 0.306) 2.079 3.080 ( -0.881 0.000 -0.666) 1.105 3.190 ( 2.016 0.000 1.814) 2.712 3.265 ( 2.998 0.000 -1.921) 3.561 3.334 ( -1.804 0.000 -0.072) 1.806 3.420 ( -3.571 0.000 -1.628) 3.925 3.958 ( 2.879 0.000 1.281) 3.151 3.996 ( 2.635 0.000 -2.209) 3.438 4.168 ( -1.588 0.000 1.371) 2.098 4.281 ( 1.351 0.000 -3.726) 3.963 4.851 ( 0.364 0.000 0.763) 0.845 4.872 ( 0.048 0.000 -0.644) 0.645 4.944 ( -0.146 0.000 1.167) 1.176 4.971 ( -0.499 0.000 1.690) 1.763 4.993 ( 0.878 0.000 -0.312) 0.931 5.034 ( -0.784 0.000 -0.861) 1.164 5.095 ( -0.099 0.000 0.512) 0.522 5.157 ( 0.462 0.000 -2.036) 2.088 5.214 ( -0.500 0.000 2.082) 2.141 5.277 ( 0.572 0.000 -1.920) 2.003 5.554 ( -0.114 0.000 1.041) 1.047 5.642 ( -0.065 0.000 -1.883) 1.884 9.268 ( -0.102 0.000 0.541) 0.550 9.285 ( 0.138 0.000 -0.469) 0.489 9.388 ( 0.041 0.000 -0.763) 0.764 9.396 ( -0.331 0.000 -0.223) 0.399 9.955 ( -0.148 0.000 0.175) 0.229 9.961 ( 0.059 0.000 -0.364) 0.369 10.053 ( -0.062 0.000 0.780) 0.782 10.100 ( 0.070 0.000 -0.900) 0.902 10.366 ( 2.525 0.000 0.833) 2.659 10.395 ( 2.331 0.000 0.030) 2.331 10.445 ( -0.703 0.000 2.160) 2.271 10.526 ( 0.996 0.000 -0.088) 1.000 10.541 ( -1.187 0.000 -0.899) 1.489 10.594 ( 1.139 0.000 -1.790) 2.122 10.625 ( -3.227 0.000 3.204) 4.547 10.736 ( -2.050 0.000 -1.549) 2.570 ======================= Grid point 66 (24/70) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( -6.469 0.000 5.201) 8.301 0.605 ( -3.829 0.000 2.866) 4.783 0.711 ( 3.200 0.000 1.324) 3.463 0.747 ( 0.442 0.000 1.455) 1.521 0.792 ( 6.293 0.000 4.544) 7.762 0.917 ( -1.023 0.000 -4.429) 4.545 0.932 ( -0.194 0.000 -4.399) 4.403 0.949 ( 1.625 0.000 -4.710) 4.982 1.005 ( -3.849 0.000 3.635) 5.294 1.020 ( -5.553 0.000 -0.087) 5.553 1.032 ( -1.975 0.000 0.426) 2.020 1.141 ( 0.456 0.000 4.863) 4.884 1.152 ( 5.263 0.000 0.793) 5.322 1.286 ( 1.997 0.000 -3.380) 3.926 1.483 ( 3.128 0.000 5.118) 5.998 1.602 ( -6.068 0.000 -2.008) 6.392 1.688 ( -1.245 0.000 0.532) 1.354 1.729 ( 2.728 0.000 -1.256) 3.004 1.788 ( -3.812 0.000 -5.257) 6.493 1.905 ( 2.055 0.000 2.700) 3.393 1.954 ( 3.664 0.000 -8.536) 9.289 1.975 ( 0.907 0.000 1.128) 1.448 2.210 ( -2.099 0.000 2.224) 3.058 2.251 ( 1.618 0.000 0.342) 1.654 2.400 ( 1.112 0.000 2.678) 2.899 2.492 ( 0.709 0.000 10.256) 10.281 2.497 ( 1.788 0.000 2.674) 3.217 2.543 ( -1.354 0.000 -2.047) 2.454 2.604 ( 1.009 0.000 2.532) 2.726 2.662 ( -0.300 0.000 -1.056) 1.097 2.699 ( -2.140 0.000 -3.143) 3.802 2.852 ( -1.518 0.000 -4.552) 4.798 2.911 ( 1.064 0.000 2.940) 3.127 2.967 ( -0.405 0.000 -0.925) 1.010 3.014 ( 0.286 0.000 0.799) 0.849 3.073 ( 0.270 0.000 -3.052) 3.064 3.235 ( 1.623 0.000 1.410) 2.150 3.298 ( -1.474 0.000 -1.177) 1.887 3.315 ( 1.943 0.000 -0.063) 1.944 3.339 ( -3.636 0.000 -1.124) 3.806 3.985 ( -0.633 0.000 0.649) 0.906 4.029 ( 1.189 0.000 -1.130) 1.640 4.151 ( -0.101 0.000 1.713) 1.716 4.296 ( 0.881 0.000 -4.195) 4.287 4.854 ( -0.197 0.000 0.446) 0.488 4.875 ( 0.385 0.000 -0.331) 0.507 4.945 ( -0.113 0.000 2.170) 2.173 4.966 ( -0.186 0.000 0.826) 0.846 4.997 ( -0.622 0.000 -0.576) 0.848 5.029 ( 0.617 0.000 -0.658) 0.902 5.095 ( -0.077 0.000 0.499) 0.505 5.161 ( 0.291 0.000 -2.187) 2.206 5.207 ( -0.624 0.000 1.885) 1.986 5.289 ( 0.857 0.000 -1.449) 1.683 5.554 ( -0.100 0.000 1.271) 1.275 5.634 ( -0.468 0.000 -1.916) 1.973 9.268 ( -0.073 0.000 0.413) 0.419 9.288 ( 0.182 0.000 -0.374) 0.416 9.389 ( 0.161 0.000 -0.720) 0.738 9.390 ( -0.239 0.000 -0.466) 0.523 9.953 ( -0.137 0.000 0.094) 0.166 9.962 ( 0.141 0.000 -0.327) 0.356 10.053 ( -0.049 0.000 0.842) 0.843 10.099 ( 0.056 0.000 -0.956) 0.958 10.406 ( 1.245 0.000 0.847) 1.506 10.424 ( -1.763 0.000 2.124) 2.760 10.431 ( 1.355 0.000 0.792) 1.570 10.504 ( -2.576 0.000 0.945) 2.744 10.545 ( 0.925 0.000 -0.604) 1.105 10.595 ( -0.487 0.000 1.511) 1.587 10.609 ( 0.308 0.000 -1.748) 1.775 10.710 ( 0.121 0.000 -1.808) 1.812 ======================= Grid point 67 (25/70) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -4.301 0.000 12.628) 13.340 0.452 ( -9.677 0.000 3.272) 10.215 0.679 ( -8.287 0.000 1.400) 8.405 0.744 ( -3.799 0.000 -3.202) 4.968 0.816 ( -9.583 0.000 1.160) 9.653 0.888 ( 2.540 0.000 6.160) 6.663 0.898 ( -4.029 0.000 -0.363) 4.045 0.931 ( 0.735 0.000 -6.878) 6.917 0.963 ( 5.322 0.000 -1.701) 5.587 1.015 ( -0.224 0.000 -1.041) 1.065 1.019 ( 4.640 0.000 0.920) 4.731 1.225 ( 1.315 0.000 2.058) 2.443 1.240 ( 5.834 0.000 -0.640) 5.868 1.323 ( 2.384 0.000 0.800) 2.514 1.500 ( -4.167 0.000 0.113) 4.168 1.505 ( -1.930 0.000 3.359) 3.874 1.660 ( -0.700 0.000 -0.778) 1.046 1.751 ( -0.398 0.000 -1.137) 1.205 1.791 ( 3.953 0.000 -3.928) 5.573 1.933 ( 1.047 0.000 0.843) 1.344 1.987 ( 0.624 0.000 -2.142) 2.231 2.016 ( 3.745 0.000 -4.599) 5.931 2.210 ( 1.717 0.000 -1.279) 2.141 2.300 ( 2.807 0.000 0.559) 2.862 2.427 ( 1.114 0.000 2.108) 2.384 2.489 ( -2.374 0.000 -0.267) 2.389 2.509 ( -2.141 0.000 4.186) 4.701 2.527 ( 0.774 0.000 8.420) 8.456 2.627 ( -1.215 0.000 -1.165) 1.683 2.641 ( 2.307 0.000 0.875) 2.468 2.700 ( 1.533 0.000 2.502) 2.935 2.867 ( 3.248 0.000 -5.089) 6.037 2.930 ( 0.558 0.000 2.297) 2.364 2.936 ( -2.129 0.000 -2.388) 3.199 3.042 ( 2.374 0.000 2.047) 3.135 3.065 ( -0.611 0.000 -2.638) 2.708 3.176 ( -7.017 0.000 1.430) 7.161 3.273 ( -0.750 0.000 -1.562) 1.733 3.335 ( -0.100 0.000 0.617) 0.625 3.358 ( 4.512 0.000 -2.233) 5.034 3.944 ( -3.283 0.000 0.519) 3.324 4.036 ( -0.324 0.000 -1.594) 1.627 4.168 ( 1.159 0.000 1.389) 1.809 4.296 ( -0.115 0.000 -4.457) 4.459 4.847 ( -0.581 0.000 0.406) 0.709 4.884 ( 0.554 0.000 -0.294) 0.627 4.946 ( -0.125 0.000 1.871) 1.875 4.968 ( 0.126 0.000 1.014) 1.022 4.977 ( -1.159 0.000 -0.637) 1.322 5.047 ( 1.174 0.000 -0.401) 1.241 5.095 ( -0.021 0.000 0.457) 0.457 5.159 ( -0.044 0.000 -2.165) 2.165 5.199 ( -0.495 0.000 1.475) 1.556 5.300 ( 0.530 0.000 -1.189) 1.301 5.555 ( -0.099 0.000 1.427) 1.430 5.617 ( -0.919 0.000 -2.165) 2.352 9.267 ( -0.113 0.000 0.263) 0.286 9.290 ( 0.096 0.000 -0.276) 0.292 9.387 ( 0.067 0.000 -0.532) 0.536 9.391 ( 0.258 0.000 -0.474) 0.539 9.951 ( -0.007 0.000 0.044) 0.045 9.964 ( 0.103 0.000 -0.244) 0.265 10.054 ( -0.063 0.000 0.845) 0.848 10.098 ( 0.033 0.000 -1.040) 1.041 10.375 ( -2.941 0.000 0.955) 3.092 10.426 ( -2.744 0.000 -2.116) 3.466 10.430 ( 0.516 0.000 1.701) 1.778 10.472 ( -0.265 0.000 3.504) 3.514 10.556 ( 0.478 0.000 -1.730) 1.795 10.598 ( -0.803 0.000 -1.568) 1.761 10.612 ( 1.885 0.000 3.333) 3.829 10.735 ( 2.287 0.000 -1.502) 2.736 ======================= Grid point 68 (26/70) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( -8.584 0.000 6.410) 10.713 0.361 ( -4.889 0.000 13.841) 14.679 0.470 ( -8.667 0.000 13.480) 16.026 0.643 ( -4.049 0.000 -6.535) 7.688 0.696 ( -3.740 0.000 -6.322) 7.345 0.833 ( -3.198 0.000 1.696) 3.620 0.911 ( -1.333 0.000 5.647) 5.803 0.947 ( 2.274 0.000 -4.154) 4.736 0.963 ( -2.177 0.000 0.465) 2.226 1.084 ( 0.873 0.000 -0.967) 1.303 1.109 ( 6.403 0.000 -1.988) 6.705 1.255 ( 2.215 0.000 1.853) 2.888 1.328 ( 3.429 0.000 -3.464) 4.874 1.353 ( -0.049 0.000 4.187) 4.187 1.458 ( 0.005 0.000 2.456) 2.456 1.463 ( -2.026 0.000 -1.209) 2.359 1.653 ( -0.433 0.000 0.102) 0.445 1.717 ( -2.632 0.000 0.529) 2.684 1.854 ( 2.087 0.000 -2.375) 3.162 1.955 ( 0.896 0.000 -2.595) 2.745 2.022 ( 4.589 0.000 -4.702) 6.570 2.065 ( 1.681 0.000 -1.661) 2.364 2.240 ( 1.323 0.000 -5.352) 5.513 2.329 ( -0.231 0.000 -0.269) 0.355 2.411 ( -4.596 0.000 -1.828) 4.947 2.424 ( -1.665 0.000 -2.538) 3.036 2.513 ( 0.670 0.000 7.002) 7.034 2.555 ( 2.339 0.000 3.135) 3.912 2.655 ( 1.896 0.000 3.489) 3.971 2.692 ( 2.855 0.000 0.114) 2.857 2.789 ( 8.880 0.000 10.334) 13.625 2.873 ( -2.236 0.000 -2.164) 3.112 2.927 ( -2.378 0.000 0.234) 2.390 2.931 ( 2.236 0.000 -3.414) 4.081 3.019 ( -9.176 0.000 1.502) 9.298 3.053 ( 0.246 0.000 -0.422) 0.488 3.102 ( 3.064 0.000 0.782) 3.162 3.267 ( 0.390 0.000 -2.100) 2.136 3.314 ( -1.691 0.000 1.374) 2.178 3.442 ( 4.190 0.000 -2.421) 4.839 3.884 ( -2.633 0.000 0.602) 2.701 3.993 ( -4.499 0.000 -4.466) 6.340 4.190 ( 0.819 0.000 1.040) 1.324 4.271 ( -1.593 0.000 -3.519) 3.863 4.837 ( -0.464 0.000 0.596) 0.755 4.892 ( 0.248 0.000 -0.759) 0.798 4.949 ( 0.086 0.000 1.001) 1.004 4.957 ( -0.609 0.000 -0.259) 0.661 4.971 ( -0.065 0.000 1.656) 1.658 5.070 ( 1.254 0.000 -0.410) 1.319 5.095 ( 0.013 0.000 0.436) 0.436 5.154 ( -0.078 0.000 -1.933) 1.934 5.193 ( -0.351 0.000 1.118) 1.171 5.302 ( -0.141 0.000 -1.309) 1.317 5.556 ( -0.112 0.000 1.368) 1.373 5.593 ( -0.935 0.000 -1.267) 1.575 9.265 ( -0.077 0.000 0.222) 0.234 9.290 ( -0.056 0.000 -0.250) 0.256 9.391 ( 0.399 0.000 -0.354) 0.534 9.398 ( 0.439 0.000 -0.004) 0.439 9.953 ( 0.129 0.000 0.084) 0.154 9.965 ( 0.047 0.000 -0.156) 0.163 10.054 ( -0.094 0.000 0.777) 0.783 10.097 ( 0.036 0.000 -1.092) 1.093 10.323 ( -2.376 0.000 0.549) 2.439 10.345 ( -4.641 0.000 -1.841) 4.993 10.438 ( 0.100 0.000 1.819) 1.822 10.481 ( 0.302 0.000 2.505) 2.523 10.560 ( 0.300 0.000 -1.878) 1.902 10.582 ( -0.431 0.000 -1.416) 1.480 10.682 ( 4.780 0.000 4.655) 6.672 10.774 ( 1.820 0.000 -0.933) 2.045 ======================= Grid point 69 (27/70) ======================= q-point: ( 0.00 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( 2.278 6.716 6.256) 9.456 0.385 ( -2.741 10.841 7.151) 13.273 0.552 ( 2.610 2.524 15.450) 15.871 0.616 ( -0.518 1.143 -4.758) 4.920 0.721 ( 3.844 6.193 -5.093) 8.892 0.812 ( -1.274 1.190 3.267) 3.703 0.888 ( -3.326 2.845 1.954) 4.793 0.913 ( -0.999 -0.447 0.950) 1.449 0.987 ( 1.626 -0.689 -2.020) 2.683 1.068 ( -1.643 -0.388 -1.706) 2.400 1.144 ( 0.593 -1.816 -2.024) 2.783 1.254 ( 0.368 -1.655 -2.349) 2.897 1.325 ( -0.406 -1.373 3.799) 4.060 1.389 ( 0.958 -0.597 -2.747) 2.970 1.413 ( -2.644 -0.075 -0.117) 2.648 1.552 ( 2.991 3.663 4.009) 6.200 1.638 ( 1.712 -1.739 1.308) 2.768 1.666 ( -1.914 -0.088 1.833) 2.651 1.869 ( 0.087 -3.376 -5.104) 6.120 1.910 ( -0.277 1.599 -5.000) 5.257 2.026 ( -0.193 -2.393 0.823) 2.538 2.103 ( 3.727 -4.030 -2.224) 5.923 2.174 ( -1.089 -7.212 1.307) 7.410 2.232 ( -0.636 -2.718 -4.058) 4.926 2.328 ( -2.433 -0.785 -2.496) 3.573 2.400 ( -3.073 2.385 -4.297) 5.796 2.489 ( -1.520 -2.788 9.270) 9.799 2.628 ( 1.275 0.089 -0.023) 1.278 2.674 ( 1.910 0.999 2.925) 3.633 2.745 ( -3.282 2.260 -0.842) 4.073 2.805 ( -2.137 1.735 2.510) 3.725 2.862 ( 0.034 0.255 0.085) 0.271 2.922 ( -0.057 0.017 1.036) 1.038 2.995 ( -2.067 4.822 -2.961) 6.024 3.047 ( 6.099 -0.371 2.492) 6.599 3.074 ( 0.713 -0.883 2.765) 2.989 3.152 ( 0.886 0.967 -1.824) 2.247 3.245 ( -0.878 1.294 -3.553) 3.882 3.342 ( 1.602 1.141 2.003) 2.808 3.450 ( -0.026 -2.921 -2.250) 3.687 3.870 ( 1.131 0.539 0.042) 1.254 3.883 ( -2.174 0.196 -0.099) 2.185 4.221 ( -0.003 1.744 0.332) 1.775 4.256 ( -0.031 0.884 -0.717) 1.138 4.841 ( 0.021 0.630 0.700) 0.942 4.886 ( -0.339 -0.104 -1.043) 1.102 4.952 ( -0.209 0.138 0.356) 0.435 4.964 ( 0.696 0.609 0.083) 0.928 4.965 ( -0.170 -0.771 2.209) 2.345 5.065 ( -0.255 -0.766 -0.890) 1.202 5.098 ( -0.036 -0.037 0.230) 0.236 5.146 ( 0.126 -0.553 -1.818) 1.904 5.198 ( 0.367 -0.021 1.661) 1.701 5.286 ( -0.611 -0.599 -1.673) 1.879 5.558 ( -0.157 0.170 0.806) 0.838 5.595 ( 1.385 -0.610 -0.249) 1.534 9.264 ( -0.047 -0.062 0.158) 0.176 9.282 ( -0.215 -0.499 -0.338) 0.640 9.396 ( 0.625 -0.295 0.090) 0.697 9.401 ( -0.273 0.229 -0.292) 0.461 9.949 ( -0.008 -0.449 0.280) 0.529 9.962 ( -0.006 -0.200 -0.247) 0.318 10.055 ( -0.166 0.146 0.753) 0.785 10.097 ( 0.132 -0.017 -0.896) 0.906 10.338 ( -0.301 3.926 0.500) 3.969 10.370 ( 0.334 4.215 -1.950) 4.656 10.444 ( -0.049 0.362 1.673) 1.712 10.494 ( 0.553 0.193 0.842) 1.026 10.545 ( -0.057 -1.343 -1.756) 2.211 10.568 ( 0.222 -0.782 -1.388) 1.608 10.691 ( -0.389 -4.164 3.990) 5.780 10.780 ( 0.612 -1.910 -1.359) 2.422 ======================= Grid point 70 (28/70) ======================= q-point: ( 0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.355 ( 5.099 4.643 6.661) 9.588 0.464 ( 7.917 8.264 4.538) 12.311 0.628 ( 2.359 0.560 0.600) 2.498 0.674 ( 6.553 -0.819 4.549) 8.019 0.766 ( -1.519 1.318 -1.501) 2.510 0.827 ( 1.234 4.943 1.320) 5.263 0.862 ( 3.299 3.356 3.761) 6.025 0.909 ( 0.283 -0.549 1.013) 1.186 0.989 ( -2.508 -1.603 -2.094) 3.639 1.039 ( 1.119 1.407 -1.984) 2.678 1.127 ( -2.217 0.177 -0.235) 2.236 1.234 ( -3.881 -0.489 0.257) 3.920 1.292 ( 0.317 -3.829 1.009) 3.973 1.326 ( -3.813 -0.802 -6.996) 8.008 1.423 ( -1.039 1.863 4.082) 4.605 1.617 ( 2.576 -0.970 3.765) 4.664 1.646 ( 0.089 0.504 1.068) 1.184 1.698 ( 3.655 1.448 2.053) 4.435 1.870 ( 1.408 -2.906 -6.901) 7.620 1.883 ( -1.658 -0.301 -5.120) 5.390 1.993 ( -2.684 2.133 -1.748) 3.849 2.109 ( -5.794 -1.862 0.072) 6.086 2.159 ( 1.434 -7.517 -1.203) 7.747 2.193 ( -2.063 -7.302 -1.137) 7.673 2.298 ( -0.031 -0.402 2.461) 2.494 2.367 ( 0.399 0.544 -2.654) 2.738 2.489 ( -0.266 -0.850 8.275) 8.323 2.641 ( -0.118 2.139 1.384) 2.551 2.649 ( -3.642 1.819 1.492) 4.336 2.712 ( -2.089 0.859 -0.330) 2.283 2.773 ( 1.749 1.836 1.939) 3.192 2.893 ( -2.071 4.001 -1.836) 4.865 2.915 ( 3.021 0.876 -0.431) 3.175 2.957 ( -1.172 0.133 -1.263) 1.728 3.065 ( -2.139 -1.015 2.622) 3.533 3.110 ( -0.540 -2.817 0.760) 2.967 3.149 ( 0.839 2.309 -0.686) 2.551 3.258 ( 2.246 2.746 -2.831) 4.539 3.363 ( -0.063 0.955 1.345) 1.651 3.431 ( -1.414 -3.499 -2.310) 4.425 3.894 ( 2.631 0.033 0.593) 2.697 3.931 ( 4.224 -0.154 -1.602) 4.520 4.211 ( -1.093 1.678 0.623) 2.097 4.263 ( 0.859 0.418 -1.650) 1.906 4.846 ( 0.399 0.553 0.825) 1.070 4.878 ( -0.244 0.178 -0.924) 0.972 4.946 ( -0.417 -0.051 0.506) 0.657 4.966 ( -0.152 -0.810 2.115) 2.270 4.981 ( 0.960 0.541 -0.108) 1.108 5.053 ( -0.681 -0.136 -0.997) 1.215 5.097 ( -0.128 0.005 0.391) 0.411 5.147 ( 0.335 -0.604 -1.820) 1.946 5.208 ( 0.165 -0.435 2.006) 2.059 5.274 ( -0.172 -0.404 -1.947) 1.996 5.556 ( -0.171 0.123 0.806) 0.833 5.621 ( 1.060 -1.354 -1.151) 2.070 9.264 ( 0.018 -0.206 0.255) 0.329 9.280 ( 0.079 -0.417 -0.354) 0.553 9.395 ( -0.200 0.271 -0.602) 0.690 9.406 ( 0.220 0.162 0.052) 0.279 9.949 ( 0.070 -0.508 0.101) 0.523 9.964 ( 0.117 0.077 -0.148) 0.204 10.054 ( -0.078 0.143 0.719) 0.737 10.098 ( 0.115 -0.091 -0.844) 0.857 10.342 ( 0.983 2.881 0.292) 3.058 10.393 ( 1.555 2.936 -0.829) 3.424 10.446 ( -0.064 0.211 1.866) 1.879 10.507 ( 0.559 -0.484 0.207) 0.767 10.540 ( -0.052 -1.013 -1.612) 1.905 10.577 ( 0.886 -0.452 -1.496) 1.797 10.659 ( -3.048 -2.802 3.839) 5.646 10.767 ( -1.532 -1.412 -1.177) 2.393 ======================= Grid point 71 (29/70) ======================= q-point: ( 0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 8.237 1.208 5.146) 9.787 0.607 ( 2.427 5.171 2.213) 6.126 0.666 ( 1.097 1.466 4.823) 5.159 0.717 ( 3.085 2.676 -4.290) 5.923 0.788 ( -3.799 -4.991 2.923) 6.920 0.836 ( 3.709 -0.815 3.843) 5.403 0.913 ( 2.392 1.496 -3.533) 4.521 0.927 ( 0.844 -0.521 -0.731) 1.232 0.993 ( 2.505 2.902 1.376) 4.074 1.061 ( -1.651 0.617 0.582) 1.856 1.079 ( -0.301 1.734 -0.751) 1.914 1.152 ( -3.290 -0.219 0.930) 3.426 1.252 ( -2.340 -1.220 -3.807) 4.632 1.295 ( -2.695 0.373 -2.340) 3.589 1.405 ( 1.344 0.639 5.304) 5.509 1.650 ( -0.003 -2.631 1.768) 3.170 1.675 ( 2.170 0.396 0.174) 2.213 1.735 ( -1.917 1.721 -0.550) 2.634 1.849 ( 1.012 -1.711 -0.096) 1.990 1.896 ( 2.060 -1.744 -8.572) 8.987 1.944 ( -2.791 4.024 -5.089) 7.062 1.986 ( -4.467 0.167 1.361) 4.673 2.141 ( -0.940 -8.685 -0.952) 8.788 2.190 ( -0.525 -8.956 0.308) 8.977 2.299 ( -1.029 -2.056 6.278) 6.686 2.394 ( 2.171 -0.763 2.090) 3.109 2.513 ( 1.557 1.198 4.281) 4.710 2.607 ( -0.761 1.253 1.006) 1.778 2.631 ( -1.219 3.126 1.122) 3.538 2.681 ( -0.555 1.251 -0.001) 1.369 2.792 ( -1.620 3.736 -1.107) 4.220 2.873 ( 0.942 0.113 -2.323) 2.510 2.921 ( -2.149 0.764 -0.175) 2.288 2.964 ( 1.736 0.280 -0.761) 1.916 3.024 ( -1.858 0.101 1.846) 2.621 3.088 ( -0.428 -0.273 -1.452) 1.538 3.184 ( 2.007 0.256 1.053) 2.281 3.299 ( 2.373 2.756 -1.398) 3.896 3.348 ( -1.370 1.624 0.061) 2.126 3.381 ( -3.440 -3.614 -1.093) 5.107 3.955 ( 3.044 -0.205 0.748) 3.141 3.995 ( 2.509 -0.145 -1.375) 2.865 4.186 ( -1.546 1.602 0.982) 2.433 4.278 ( 1.021 -0.177 -2.832) 3.016 4.856 ( 0.348 0.469 0.721) 0.928 4.875 ( 0.058 0.298 -0.571) 0.647 4.940 ( -0.301 -0.277 1.179) 1.248 4.965 ( -0.308 -0.600 1.436) 1.587 4.997 ( 0.764 0.340 -0.293) 0.886 5.038 ( -0.616 0.311 -0.950) 1.174 5.096 ( -0.094 0.009 0.500) 0.509 5.151 ( 0.460 -0.618 -1.838) 1.993 5.210 ( -0.338 -0.319 1.945) 2.000 5.274 ( 0.511 -0.359 -1.775) 1.882 5.555 ( -0.127 0.078 0.919) 0.931 5.629 ( 0.121 -1.181 -1.431) 1.859 9.265 ( 0.061 -0.136 0.264) 0.303 9.282 ( 0.227 -0.252 -0.390) 0.517 9.392 ( 0.007 0.314 -0.635) 0.708 9.404 ( -0.279 0.483 -0.182) 0.587 9.953 ( 0.226 -0.206 0.009) 0.306 9.964 ( -0.054 0.237 -0.135) 0.278 10.055 ( -0.011 0.189 0.708) 0.733 10.098 ( 0.073 -0.127 -0.841) 0.854 10.373 ( 1.932 1.176 0.388) 2.294 10.416 ( 0.937 1.079 0.177) 1.440 10.445 ( -0.463 0.430 1.914) 2.016 10.512 ( -0.172 -1.669 0.722) 1.827 10.538 ( 0.110 0.238 -1.113) 1.144 10.595 ( 1.168 -0.083 -1.571) 1.960 10.612 ( -2.076 -0.987 2.613) 3.480 10.728 ( -2.009 -0.973 -1.498) 2.689 ======================= Grid point 72 (30/70) ======================= q-point: (-0.50 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -5.773 3.375 4.638) 8.138 0.607 ( -6.456 0.550 2.878) 7.089 0.702 ( 3.404 -2.911 3.390) 5.617 0.760 ( 4.106 3.783 0.712) 5.628 0.823 ( 5.352 2.469 4.062) 7.158 0.878 ( 0.264 -2.164 -2.567) 3.368 0.923 ( -1.882 -0.579 -1.516) 2.485 0.945 ( 0.633 -0.068 -5.635) 5.671 1.004 ( -3.268 -0.360 1.284) 3.529 1.023 ( -1.614 0.258 -0.898) 1.865 1.052 ( 1.449 0.712 -0.175) 1.624 1.149 ( -5.057 2.231 2.264) 5.972 1.191 ( 3.383 1.430 1.926) 4.148 1.288 ( 2.187 0.089 -2.798) 3.552 1.471 ( 2.403 -1.354 3.915) 4.788 1.596 ( -4.191 -0.251 -0.840) 4.282 1.696 ( 0.134 -1.013 -0.287) 1.061 1.714 ( 0.728 0.214 -1.325) 1.527 1.813 ( -5.135 1.272 -2.642) 5.913 1.907 ( 2.412 0.102 1.866) 3.051 1.932 ( 1.614 -0.955 -6.826) 7.079 1.984 ( 1.797 0.236 -1.904) 2.629 2.145 ( 1.364 -9.829 0.158) 9.925 2.163 ( -1.207 -5.851 -0.712) 6.016 2.304 ( 0.671 -4.558 6.757) 8.179 2.437 ( 1.147 -1.365 5.977) 6.237 2.553 ( 1.923 1.975 1.548) 3.161 2.604 ( -1.051 2.799 0.533) 3.037 2.619 ( 0.401 1.571 1.291) 2.072 2.684 ( 0.627 1.875 -0.170) 1.984 2.745 ( -1.866 4.399 -2.180) 5.252 2.844 ( -1.694 -0.747 -3.345) 3.823 2.923 ( 0.792 0.922 2.581) 2.853 2.974 ( -0.591 0.461 -1.320) 1.518 3.011 ( 0.221 0.333 1.048) 1.122 3.095 ( 1.359 0.988 -3.579) 3.953 3.222 ( 1.288 -0.987 1.631) 2.301 3.296 ( -3.704 -2.838 0.663) 4.713 3.321 ( -1.376 2.020 -1.567) 2.903 3.347 ( 1.751 2.039 -0.605) 2.755 3.986 ( -0.526 0.143 0.573) 0.791 4.022 ( 0.964 -0.468 -0.865) 1.377 4.170 ( -0.039 1.649 1.324) 2.115 4.288 ( 0.606 -0.576 -3.382) 3.484 4.859 ( -0.189 0.473 0.426) 0.664 4.878 ( 0.338 0.268 -0.257) 0.502 4.940 ( -0.057 -0.402 1.952) 1.994 4.962 ( -0.183 -0.441 0.742) 0.882 5.001 ( -0.530 0.275 -0.484) 0.769 5.033 ( 0.436 0.345 -0.811) 0.984 5.095 ( -0.056 0.031 0.512) 0.516 5.156 ( 0.314 -0.557 -1.935) 2.038 5.205 ( -0.507 -0.133 1.761) 1.837 5.284 ( 0.765 -0.511 -1.402) 1.677 5.555 ( -0.100 0.049 1.122) 1.128 5.623 ( -0.395 -0.948 -1.604) 1.904 9.267 ( 0.034 -0.030 0.245) 0.249 9.286 ( 0.210 -0.162 -0.369) 0.455 9.391 ( -0.082 0.295 -0.495) 0.582 9.399 ( -0.079 0.544 -0.446) 0.708 9.955 ( 0.001 0.214 0.082) 0.229 9.963 ( 0.017 0.050 -0.222) 0.228 10.056 ( -0.001 0.250 0.732) 0.774 10.098 ( 0.062 -0.135 -0.888) 0.900 10.404 ( 0.796 -0.023 0.443) 0.911 10.419 ( -0.811 -0.401 0.604) 1.088 10.442 ( 0.133 1.065 1.613) 1.937 10.502 ( -1.057 -0.283 2.003) 2.282 10.541 ( 0.397 -0.026 -0.970) 1.049 10.591 ( -0.293 -0.313 1.627) 1.682 10.610 ( 0.139 -0.157 -1.820) 1.832 10.701 ( -0.021 -0.878 -1.749) 1.957 ======================= Grid point 73 (31/70) ======================= q-point: (-0.33 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( -5.514 2.615 8.447) 10.421 0.451 ( -7.425 2.965 6.303) 10.181 0.708 ( -3.290 0.575 -0.569) 3.388 0.744 ( -6.702 2.389 -1.493) 7.270 0.873 ( -4.924 0.562 4.515) 6.704 0.897 ( 0.264 2.978 -1.020) 3.159 0.910 ( 0.801 -0.638 1.230) 1.600 0.933 ( -1.822 1.495 -2.910) 3.744 0.961 ( 2.887 0.648 -2.748) 4.038 1.014 ( 0.369 -0.434 0.404) 0.698 1.023 ( 3.310 1.073 -0.312) 3.494 1.201 ( 4.956 -1.217 -1.435) 5.301 1.226 ( 0.560 -0.600 1.361) 1.589 1.337 ( 2.580 -0.482 -0.598) 2.692 1.453 ( -2.461 -2.079 3.431) 4.706 1.565 ( -1.341 2.996 0.641) 3.345 1.669 ( -2.552 1.269 0.106) 2.852 1.733 ( 0.407 -1.504 -1.250) 1.997 1.777 ( 2.765 -3.037 -1.718) 4.452 1.915 ( -0.054 -0.749 -2.713) 2.815 1.975 ( 2.375 -0.724 -1.743) 3.034 2.008 ( 1.370 -0.707 -2.850) 3.240 2.150 ( 0.576 -7.688 -1.380) 7.832 2.197 ( 2.949 -7.504 -0.251) 8.066 2.343 ( 1.898 -4.227 3.561) 5.843 2.458 ( 0.104 -0.533 6.252) 6.276 2.579 ( -1.448 3.007 0.643) 3.398 2.581 ( -0.254 3.518 2.741) 4.467 2.611 ( -0.602 0.444 -1.635) 1.798 2.697 ( 1.311 3.369 2.014) 4.138 2.741 ( 1.457 3.398 1.574) 4.019 2.857 ( 3.623 -1.305 -4.399) 5.846 2.927 ( -1.461 -0.069 -0.342) 1.502 2.947 ( -0.979 0.939 0.082) 1.359 3.028 ( 0.952 -0.233 1.329) 1.652 3.110 ( 0.715 2.441 -2.121) 3.312 3.173 ( -5.238 -0.035 1.481) 5.443 3.282 ( -0.060 -0.723 -0.963) 1.206 3.308 ( 1.181 -0.147 -1.014) 1.564 3.379 ( 1.872 1.514 -0.394) 2.439 3.945 ( -3.264 0.148 0.387) 3.290 4.023 ( -1.038 -0.991 -1.078) 1.795 4.187 ( 1.244 1.641 1.026) 2.301 4.286 ( -0.232 -0.665 -3.245) 3.321 4.852 ( -0.536 0.522 0.377) 0.837 4.886 ( 0.437 0.113 -0.201) 0.494 4.943 ( 0.025 -0.204 1.684) 1.696 4.962 ( 0.024 -0.583 0.914) 1.084 4.982 ( -1.075 0.496 -0.512) 1.290 5.046 ( 0.907 -0.075 -0.607) 1.094 5.096 ( -0.005 0.040 0.445) 0.446 5.154 ( -0.048 -0.502 -1.973) 2.037 5.199 ( -0.386 0.046 1.438) 1.489 5.294 ( 0.527 -0.639 -1.169) 1.433 5.555 ( -0.071 0.041 1.230) 1.233 5.609 ( -0.830 -0.742 -1.670) 2.007 9.267 ( -0.060 0.027 0.165) 0.178 9.288 ( 0.083 -0.174 -0.397) 0.441 9.387 ( -0.131 0.118 -0.528) 0.557 9.401 ( 0.243 0.557 -0.280) 0.669 9.953 ( -0.213 0.045 -0.020) 0.218 9.964 ( 0.078 0.037 -0.129) 0.155 10.057 ( -0.039 0.265 0.740) 0.787 10.098 ( 0.062 -0.094 -0.950) 0.957 10.379 ( -2.209 0.950 0.331) 2.427 10.421 ( -0.185 -0.452 0.230) 0.540 10.446 ( -0.229 0.757 0.929) 1.220 10.486 ( -0.774 1.396 2.401) 2.883 10.546 ( 0.276 -0.717 -1.539) 1.720 10.594 ( -0.955 -0.540 -1.578) 1.922 10.607 ( 1.435 -0.342 2.893) 3.247 10.721 ( 1.978 -1.303 -1.628) 2.874 ======================= Grid point 74 (32/70) ======================= q-point: (-0.17 0.12 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -5.807 4.574 6.029) 9.539 0.422 ( -1.272 4.090 14.600) 15.216 0.580 ( -7.838 7.575 5.044) 12.011 0.668 ( -1.888 3.406 -4.899) 6.258 0.722 ( -5.658 1.583 -0.556) 5.902 0.859 ( -3.202 2.160 -0.347) 3.878 0.920 ( -0.001 -0.555 -1.262) 1.378 0.930 ( -0.955 1.989 3.661) 4.275 0.982 ( -0.902 0.590 -1.066) 1.516 1.055 ( 4.119 -2.885 -2.802) 5.757 1.112 ( 3.054 -0.109 -1.341) 3.337 1.246 ( 1.298 -1.026 -1.381) 2.155 1.270 ( 3.000 -1.580 3.122) 4.608 1.370 ( 1.616 -1.668 -2.072) 3.112 1.447 ( 0.070 -0.365 1.995) 2.030 1.527 ( -1.617 5.403 2.192) 6.051 1.634 ( -1.127 -1.802 0.427) 2.168 1.703 ( -2.218 -1.414 0.730) 2.730 1.857 ( 3.090 -2.928 -1.545) 4.528 1.913 ( 0.536 -0.921 -4.496) 4.620 2.003 ( 1.962 -1.911 -3.592) 4.517 2.043 ( 2.464 -1.467 0.394) 2.894 2.166 ( 1.056 -8.037 -0.395) 8.116 2.239 ( 1.280 -5.486 -3.109) 6.434 2.360 ( -0.530 -2.032 -1.441) 2.547 2.458 ( -1.507 0.561 0.619) 1.723 2.520 ( -3.452 0.488 4.523) 5.711 2.600 ( 1.332 2.877 0.560) 3.220 2.628 ( 2.100 0.198 2.444) 3.228 2.746 ( 2.637 3.060 1.485) 4.304 2.801 ( 3.069 1.498 3.575) 4.944 2.879 ( -0.893 -1.741 -0.417) 2.001 2.920 ( 1.060 0.903 -1.032) 1.733 2.936 ( 0.281 0.617 -0.686) 0.965 3.044 ( 0.510 -0.920 0.700) 1.264 3.078 ( -3.939 4.431 1.416) 6.096 3.130 ( 1.264 2.233 -0.694) 2.658 3.270 ( -0.509 0.253 -2.667) 2.727 3.322 ( 0.079 0.601 0.698) 0.925 3.425 ( 2.696 -1.369 -1.268) 3.279 3.886 ( -2.490 0.213 0.389) 2.529 3.968 ( -4.562 -1.648 -2.081) 5.278 4.211 ( 0.967 1.719 0.556) 2.050 4.269 ( -0.878 0.105 -2.011) 2.197 4.843 ( -0.391 0.605 0.531) 0.895 4.891 ( 0.102 -0.154 -0.612) 0.639 4.948 ( 0.285 0.083 0.888) 0.936 4.963 ( -0.388 -0.061 0.826) 0.915 4.965 ( -0.362 -0.015 0.623) 0.721 5.061 ( 0.703 -0.651 -0.565) 1.112 5.097 ( 0.078 0.011 0.349) 0.358 5.149 ( -0.095 -0.510 -1.848) 1.919 5.195 ( -0.263 0.256 1.131) 1.189 5.296 ( -0.120 -0.675 -1.292) 1.462 5.557 ( 0.037 0.107 1.092) 1.098 5.590 ( -0.649 -0.307 -0.890) 1.143 9.265 ( -0.118 0.054 0.072) 0.148 9.287 ( -0.160 -0.326 -0.462) 0.587 9.387 ( 0.235 -0.167 -0.272) 0.396 9.404 ( 0.072 0.361 -0.085) 0.377 9.949 ( -0.122 -0.321 0.031) 0.345 9.964 ( -0.055 -0.050 -0.129) 0.149 10.057 ( -0.131 0.200 0.733) 0.771 10.097 ( 0.079 -0.013 -0.962) 0.966 10.345 ( -1.061 3.107 0.258) 3.294 10.397 ( -1.933 2.008 -1.488) 3.160 10.443 ( -0.171 0.770 1.391) 1.599 10.485 ( 0.099 0.674 1.939) 2.055 10.547 ( 0.174 -1.078 -1.744) 2.057 10.575 ( -0.604 -0.756 -1.527) 1.808 10.655 ( 2.520 -1.968 4.551) 5.562 10.756 ( 1.835 -1.754 -1.398) 2.898 ======================= Grid point 75 (33/70) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.421 ( 1.180 6.000 3.083) 6.848 0.515 ( 1.468 3.303 11.451) 12.008 0.604 ( 0.404 1.594 -1.846) 2.472 0.667 ( -2.838 2.846 2.419) 4.691 0.773 ( -0.509 -0.722 -0.094) 0.888 0.895 ( 1.263 7.761 6.088) 9.944 0.934 ( -2.917 1.600 0.415) 3.353 0.960 ( 1.006 -0.060 -1.701) 1.977 0.985 ( -0.223 4.275 -2.668) 5.044 1.050 ( 2.782 -1.516 -3.605) 4.800 1.088 ( -0.588 -2.801 -2.122) 3.563 1.238 ( -0.284 -0.508 -1.978) 2.062 1.306 ( 0.052 -0.060 1.113) 1.115 1.374 ( -1.054 -0.589 -1.464) 1.898 1.421 ( 0.447 1.157 4.806) 4.963 1.544 ( -2.641 -4.125 0.490) 4.923 1.583 ( 2.602 -4.443 0.028) 5.149 1.706 ( 1.836 2.219 1.748) 3.369 1.780 ( 1.000 -3.070 -3.386) 4.679 1.927 ( -2.601 -2.756 -2.748) 4.681 1.953 ( 1.887 -1.591 2.168) 3.285 2.032 ( 1.310 -5.746 0.739) 5.940 2.048 ( 0.691 -2.961 0.144) 3.044 2.170 ( -0.559 -1.865 -5.914) 6.227 2.339 ( 0.016 0.205 0.247) 0.321 2.450 ( -1.238 1.612 1.268) 2.396 2.451 ( -4.359 0.613 0.420) 4.422 2.629 ( 0.853 0.421 -1.255) 1.575 2.685 ( 1.214 0.023 -0.297) 1.250 2.770 ( -2.882 -0.103 -1.848) 3.425 2.829 ( 0.748 0.769 1.217) 1.622 2.857 ( -1.488 -0.272 1.003) 1.815 2.942 ( 2.544 1.834 4.298) 5.321 3.025 ( 0.079 -1.649 1.277) 2.087 3.040 ( 2.665 0.460 0.584) 2.767 3.126 ( -3.256 4.911 0.848) 5.953 3.165 ( 0.688 -0.051 -3.058) 3.135 3.282 ( 1.761 1.368 -3.119) 3.834 3.363 ( 0.850 0.233 1.288) 1.561 3.392 ( -1.006 -1.293 0.102) 1.642 3.877 ( 1.034 0.235 -0.048) 1.061 3.885 ( -1.389 0.051 -0.116) 1.395 4.259 ( 0.021 1.927 0.055) 1.928 4.278 ( 0.015 1.247 -0.535) 1.357 4.858 ( -0.014 1.071 0.450) 1.161 4.883 ( -0.071 -0.234 -0.408) 0.476 4.945 ( -0.203 -1.137 2.145) 2.436 4.957 ( -0.325 0.225 0.352) 0.529 4.979 ( 0.561 0.903 -0.228) 1.087 5.048 ( 0.080 -0.939 -1.276) 1.586 5.097 ( -0.025 -0.042 0.350) 0.354 5.130 ( 0.016 -0.907 -1.261) 1.554 5.203 ( -0.007 0.398 1.062) 1.135 5.269 ( -0.347 -1.041 -1.283) 1.688 5.561 ( -0.104 0.110 0.519) 0.540 5.584 ( 0.562 -0.517 -0.137) 0.776 9.265 ( 0.014 0.110 -0.177) 0.209 9.275 ( -0.270 -0.039 -0.237) 0.362 9.391 ( 0.500 -0.069 0.297) 0.586 9.407 ( -0.151 0.252 -0.497) 0.577 9.945 ( -0.124 0.087 0.386) 0.415 9.959 ( 0.076 -0.068 -0.205) 0.229 10.059 ( -0.139 0.263 0.709) 0.769 10.095 ( 0.074 -0.220 -0.697) 0.735 10.390 ( -0.261 -0.530 0.399) 0.713 10.403 ( 0.268 -0.335 0.412) 0.595 10.468 ( -0.065 2.003 1.138) 2.305 10.509 ( -0.671 1.314 -0.827) 1.692 10.529 ( 0.387 0.265 -1.314) 1.395 10.554 ( 0.547 -0.220 -1.249) 1.381 10.638 ( -0.512 -1.281 3.230) 3.512 10.731 ( 0.560 -2.598 -1.312) 2.964 ======================= Grid point 76 (34/70) ======================= q-point: ( 0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 2.719 5.121 3.882) 6.977 0.596 ( 4.399 2.007 10.027) 11.132 0.660 ( 3.141 4.858 1.806) 6.061 0.667 ( 4.550 -0.146 -4.436) 6.357 0.776 ( 0.095 -0.083 3.080) 3.083 0.853 ( -4.445 0.463 0.627) 4.512 0.929 ( -0.246 2.128 -1.424) 2.572 0.962 ( 0.314 3.343 -2.208) 4.019 1.001 ( 1.925 2.992 1.632) 3.914 1.074 ( 1.191 0.942 -0.933) 1.782 1.105 ( 1.546 -1.568 -1.679) 2.769 1.227 ( -0.341 -1.537 -0.414) 1.628 1.247 ( -5.828 1.581 1.456) 6.212 1.302 ( -3.321 -1.444 -4.397) 5.697 1.465 ( -0.057 2.076 5.258) 5.653 1.531 ( 1.829 -5.816 1.413) 6.258 1.638 ( 2.417 -3.229 -0.029) 4.034 1.752 ( 2.832 -0.546 -1.297) 3.162 1.791 ( 0.681 -0.535 -1.224) 1.499 1.857 ( -3.500 -1.956 -3.531) 5.342 1.981 ( 0.378 -5.835 2.884) 6.520 2.017 ( -2.652 -6.284 0.541) 6.842 2.049 ( -1.180 -1.806 0.753) 2.285 2.110 ( -4.038 0.097 -7.454) 8.477 2.323 ( -1.319 2.422 2.564) 3.766 2.401 ( -0.408 2.326 -4.119) 4.748 2.462 ( 1.529 -1.307 5.417) 5.779 2.631 ( -0.667 -0.381 -2.391) 2.512 2.696 ( -0.593 -0.100 1.959) 2.049 2.723 ( -1.249 1.564 -0.062) 2.002 2.810 ( 0.217 1.087 0.349) 1.162 2.895 ( 2.612 -1.531 1.481) 3.371 2.973 ( -2.128 1.830 0.392) 2.834 2.986 ( -1.276 2.299 0.765) 2.738 3.071 ( -2.360 2.376 0.754) 3.433 3.075 ( 0.480 -0.479 0.626) 0.923 3.170 ( 0.595 -0.156 -2.445) 2.521 3.320 ( 2.329 1.555 -1.871) 3.368 3.347 ( -2.114 -2.874 0.613) 3.620 3.394 ( 0.455 1.795 0.346) 1.884 3.897 ( 2.360 0.307 0.128) 2.383 3.928 ( 3.756 -0.217 -0.542) 3.801 4.248 ( -1.113 1.893 0.133) 2.200 4.278 ( 0.088 0.970 -0.818) 1.272 4.861 ( 0.271 0.907 0.533) 1.087 4.881 ( -0.005 0.091 -0.400) 0.410 4.944 ( -0.335 -0.834 1.864) 2.069 4.950 ( -0.287 -0.038 0.525) 0.600 4.992 ( 0.713 0.557 -0.249) 0.939 5.046 ( -0.081 -0.631 -1.317) 1.463 5.096 ( -0.088 -0.026 0.421) 0.431 5.131 ( 0.244 -0.959 -1.288) 1.624 5.206 ( 0.002 0.149 1.391) 1.399 5.262 ( -0.015 -0.739 -1.454) 1.631 5.559 ( -0.165 0.139 0.537) 0.579 5.597 ( 0.640 -1.060 -0.423) 1.309 9.266 ( 0.064 0.295 -0.226) 0.377 9.273 ( 0.137 -0.156 -0.117) 0.239 9.398 ( 0.026 0.037 -0.250) 0.254 9.407 ( 0.229 0.020 -0.104) 0.252 9.944 ( 0.089 0.021 0.210) 0.229 9.964 ( 0.310 -0.016 -0.061) 0.316 10.058 ( -0.058 0.278 0.649) 0.708 10.095 ( 0.031 -0.266 -0.655) 0.707 10.391 ( 0.258 0.513 0.527) 0.779 10.409 ( 0.289 -1.069 0.130) 1.115 10.469 ( -0.060 1.613 1.286) 2.064 10.494 ( -0.601 0.602 -0.244) 0.885 10.537 ( 0.546 0.208 -1.517) 1.626 10.569 ( 1.191 0.038 -1.226) 1.710 10.622 ( -1.522 -0.815 2.868) 3.348 10.726 ( -0.876 -2.379 -1.164) 2.790 ======================= Grid point 77 (35/70) ======================= q-point: ( 0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.544 ( 4.428 1.904 3.619) 6.028 0.668 ( 0.072 1.102 5.436) 5.548 0.722 ( 3.744 1.595 -1.373) 4.295 0.745 ( -3.746 1.972 0.060) 4.234 0.766 ( 3.453 3.895 3.168) 6.094 0.830 ( 4.339 0.192 1.951) 4.761 0.926 ( 1.090 0.347 -2.635) 2.872 0.969 ( 0.516 3.806 -2.893) 4.809 1.030 ( 0.243 0.463 -0.080) 0.529 1.065 ( -3.197 0.330 1.126) 3.405 1.104 ( -2.785 1.005 -0.464) 2.997 1.160 ( -1.059 0.439 3.171) 3.372 1.211 ( -0.967 -2.371 -3.530) 4.361 1.276 ( 1.572 -1.931 -4.497) 5.140 1.441 ( -2.534 2.224 6.041) 6.918 1.586 ( 3.069 -4.165 1.819) 5.484 1.664 ( -0.504 -2.581 0.261) 2.642 1.746 ( -3.726 -1.039 -1.512) 4.153 1.812 ( 2.619 -5.585 -4.005) 7.355 1.837 ( 1.633 0.295 -0.542) 1.746 1.961 ( -2.804 -7.020 0.467) 7.574 1.982 ( -1.088 -4.143 -0.028) 4.284 2.002 ( -2.421 -4.866 0.614) 5.470 2.029 ( -2.246 3.136 -6.561) 7.610 2.300 ( -1.966 1.649 4.004) 4.756 2.409 ( 1.480 2.156 0.073) 2.617 2.517 ( 3.114 -0.693 2.187) 3.868 2.606 ( -0.874 -0.238 -1.146) 1.461 2.682 ( -0.794 1.029 3.409) 3.648 2.721 ( 0.318 3.274 0.923) 3.416 2.838 ( 1.436 -1.232 -0.759) 2.039 2.901 ( -3.196 3.551 -1.136) 4.911 2.930 ( -0.040 -0.589 2.285) 2.360 2.977 ( -0.125 2.139 -1.996) 2.928 3.037 ( -1.188 1.064 0.987) 1.876 3.079 ( 0.377 -0.123 -1.163) 1.228 3.183 ( 0.935 -0.621 -0.491) 1.225 3.290 ( -3.376 -4.869 0.756) 5.972 3.365 ( 2.024 3.258 -1.006) 3.965 3.394 ( -0.418 2.614 -0.182) 2.653 3.955 ( 3.168 0.309 0.248) 3.193 3.992 ( 2.574 -0.174 -0.545) 2.637 4.222 ( -1.475 1.891 0.403) 2.432 4.279 ( 0.170 0.215 -1.533) 1.558 4.868 ( 0.304 0.723 0.541) 0.953 4.881 ( 0.066 0.276 -0.142) 0.317 4.938 ( -0.425 0.094 1.105) 1.187 4.949 ( -0.088 -0.876 1.044) 1.365 5.003 ( 0.432 0.163 -0.372) 0.593 5.041 ( -0.148 -0.160 -1.268) 1.287 5.095 ( -0.087 -0.035 0.521) 0.529 5.135 ( 0.406 -1.021 -1.275) 1.683 5.207 ( -0.181 0.063 1.450) 1.462 5.263 ( 0.376 -0.680 -1.389) 1.592 5.557 ( -0.126 0.140 0.640) 0.667 5.604 ( 0.198 -1.254 -0.791) 1.496 9.267 ( 0.110 0.281 -0.082) 0.312 9.278 ( 0.295 -0.168 -0.193) 0.390 9.397 ( -0.008 0.151 -0.450) 0.474 9.408 ( -0.105 -0.074 -0.068) 0.145 9.950 ( 0.466 -0.020 0.099) 0.477 9.967 ( -0.056 0.003 0.007) 0.056 10.059 ( 0.036 0.263 0.578) 0.636 10.094 ( -0.002 -0.334 -0.632) 0.715 10.400 ( 0.523 0.760 0.364) 0.992 10.412 ( 0.035 -1.067 -0.051) 1.069 10.470 ( -0.104 1.469 1.376) 2.015 10.489 ( 0.054 0.154 1.034) 1.047 10.543 ( 0.406 0.101 -1.436) 1.496 10.589 ( 0.972 -0.568 -1.275) 1.701 10.599 ( -1.159 -0.007 2.210) 2.495 10.699 ( -1.467 -1.766 -1.323) 2.650 ======================= Grid point 78 (36/70) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( -2.734 1.066 2.171) 3.651 0.637 ( -5.430 2.659 4.151) 7.334 0.690 ( 1.970 3.161 2.082) 4.267 0.823 ( 5.805 1.592 -0.699) 6.059 0.837 ( 2.141 0.250 5.730) 6.122 0.891 ( 0.648 1.604 -2.369) 2.933 0.933 ( -0.611 -0.324 -1.670) 1.808 0.959 ( -4.900 3.798 0.972) 6.275 1.002 ( 1.489 0.316 -1.820) 2.373 1.017 ( -1.027 -0.112 -1.167) 1.559 1.066 ( 0.851 0.662 -1.383) 1.754 1.175 ( -0.571 -0.452 -0.231) 0.764 1.196 ( 0.708 -0.580 -1.405) 1.677 1.286 ( 0.232 -0.620 -1.188) 1.360 1.433 ( 0.195 -1.720 4.263) 4.601 1.604 ( -2.365 0.851 -0.326) 2.535 1.642 ( 0.481 -3.689 2.114) 4.279 1.700 ( -1.168 -3.395 0.339) 3.606 1.807 ( -2.205 -3.115 -4.162) 5.647 1.885 ( 2.674 -3.250 -0.950) 4.315 1.921 ( -0.865 -7.618 1.134) 7.750 1.954 ( -0.169 -1.266 -4.648) 4.821 1.972 ( -0.934 -0.295 -2.160) 2.371 2.034 ( 2.693 -3.581 -0.801) 4.551 2.277 ( -0.723 1.016 3.410) 3.631 2.449 ( 2.050 2.126 3.367) 4.479 2.576 ( 2.715 -0.315 0.936) 2.889 2.605 ( 0.745 -0.350 -1.031) 1.320 2.675 ( -1.110 2.434 3.750) 4.606 2.735 ( 1.239 3.369 1.336) 3.830 2.819 ( -1.747 -0.569 -2.042) 2.747 2.849 ( -2.893 4.111 -0.319) 5.037 2.936 ( 0.493 0.208 1.528) 1.619 2.981 ( 0.358 0.381 -1.597) 1.681 3.027 ( -0.300 0.958 0.261) 1.038 3.097 ( 2.136 -0.497 -2.999) 3.715 3.198 ( 0.405 -1.321 0.992) 1.701 3.227 ( -2.845 -3.290 1.114) 4.490 3.379 ( -0.983 3.240 -0.693) 3.457 3.395 ( 1.239 2.488 -0.566) 2.837 3.992 ( -0.308 0.471 0.416) 0.700 4.016 ( 0.591 -0.147 -0.513) 0.797 4.206 ( -0.011 1.892 0.707) 2.020 4.279 ( 0.217 -0.344 -2.046) 2.086 4.872 ( -0.091 0.780 0.374) 0.870 4.883 ( 0.125 0.162 0.183) 0.275 4.936 ( 0.012 0.090 1.258) 1.261 4.949 ( -0.147 -0.814 0.757) 1.121 5.004 ( -0.313 -0.003 -0.501) 0.591 5.038 ( 0.191 0.050 -1.155) 1.172 5.095 ( -0.069 -0.074 0.531) 0.540 5.140 ( 0.317 -1.039 -1.291) 1.688 5.205 ( -0.274 0.182 1.351) 1.391 5.270 ( 0.496 -0.874 -1.201) 1.566 5.557 ( -0.083 0.131 0.768) 0.783 5.602 ( -0.224 -1.132 -0.997) 1.525 9.269 ( 0.052 0.224 0.004) 0.230 9.282 ( 0.216 -0.178 -0.241) 0.370 9.396 ( -0.166 0.115 -0.293) 0.356 9.405 ( -0.021 0.044 -0.295) 0.299 9.958 ( 0.224 0.041 0.133) 0.264 9.963 ( -0.218 -0.064 -0.031) 0.229 10.061 ( 0.018 0.234 0.567) 0.614 10.093 ( 0.055 -0.357 -0.656) 0.749 10.406 ( -0.087 0.118 0.162) 0.218 10.410 ( -0.096 -0.454 -0.002) 0.464 10.470 ( -0.209 1.578 1.391) 2.114 10.498 ( 0.444 0.119 1.884) 1.939 10.546 ( 0.131 0.321 -1.123) 1.175 10.583 ( -0.462 -0.482 1.310) 1.470 10.601 ( 0.047 -0.500 -1.143) 1.249 10.678 ( -0.127 -1.363 -1.502) 2.032 ======================= Grid point 79 (37/70) ======================= q-point: (-0.33 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -4.484 5.088 3.404) 7.588 0.542 ( -5.021 4.130 7.032) 9.577 0.716 ( 0.478 1.075 -0.529) 1.290 0.795 ( -7.486 1.178 -0.989) 7.642 0.870 ( 0.715 -1.272 2.436) 2.840 0.899 ( -1.703 1.860 3.457) 4.279 0.918 ( 1.939 1.189 -1.924) 2.979 0.953 ( 1.051 -1.153 -1.964) 2.508 1.001 ( 0.484 1.771 -3.492) 3.945 1.015 ( -0.508 1.864 2.361) 3.051 1.073 ( 0.461 2.772 -0.800) 2.922 1.187 ( 1.855 -1.866 -1.451) 3.005 1.225 ( 3.073 1.401 -2.656) 4.297 1.296 ( 0.537 -2.875 -0.830) 3.040 1.429 ( -0.387 -0.380 6.279) 6.302 1.584 ( -2.749 -1.776 0.667) 3.340 1.644 ( 2.478 -4.761 0.386) 5.382 1.697 ( -0.071 -2.361 -0.589) 2.435 1.742 ( -3.306 1.230 -2.142) 4.127 1.908 ( 0.204 -5.432 -0.559) 5.465 1.933 ( 1.100 -2.044 -3.632) 4.310 1.961 ( 2.661 -5.487 0.991) 6.178 1.982 ( 1.103 -2.024 -0.969) 2.500 2.093 ( 3.736 -2.779 -3.542) 5.850 2.289 ( 1.319 -0.966 1.813) 2.441 2.486 ( 0.864 2.945 3.929) 4.985 2.602 ( -0.813 -1.358 0.205) 1.596 2.619 ( -0.523 1.957 2.079) 2.903 2.654 ( 0.090 1.763 -1.229) 2.151 2.772 ( 1.052 4.301 1.784) 4.774 2.800 ( 0.901 1.751 0.510) 2.035 2.823 ( 0.934 -0.959 -0.202) 1.353 2.933 ( -0.489 0.567 -0.494) 0.897 2.968 ( -1.491 1.090 -0.362) 1.882 3.025 ( -0.143 -0.088 0.275) 0.322 3.136 ( 1.871 -0.558 -2.622) 3.270 3.175 ( -1.232 0.555 0.830) 1.586 3.232 ( 1.656 -2.411 0.953) 3.077 3.357 ( -1.080 3.246 -0.978) 3.558 3.409 ( 0.344 1.412 -0.112) 1.458 3.951 ( -3.253 0.538 0.171) 3.302 4.006 ( -2.004 -0.740 -0.474) 2.188 4.223 ( 1.327 1.859 0.503) 2.339 4.279 ( 0.187 -0.020 -1.707) 1.718 4.867 ( -0.408 0.962 0.296) 1.086 4.886 ( 0.048 -0.153 0.191) 0.250 4.941 ( 0.173 -0.295 1.507) 1.546 4.948 ( 0.066 -0.395 0.592) 0.714 4.992 ( -0.722 0.389 -0.505) 0.963 5.042 ( 0.387 -0.345 -1.076) 1.194 5.095 ( -0.016 -0.089 0.447) 0.456 5.140 ( -0.051 -0.959 -1.346) 1.653 5.203 ( -0.161 0.328 1.159) 1.215 5.276 ( 0.327 -1.157 -1.043) 1.591 5.557 ( -0.014 0.130 0.801) 0.811 5.592 ( -0.502 -0.811 -0.932) 1.334 9.268 ( -0.082 0.130 0.000) 0.154 9.284 ( 0.029 -0.170 -0.313) 0.358 9.389 ( -0.321 0.092 -0.321) 0.463 9.408 ( 0.213 0.100 -0.195) 0.306 9.952 ( -0.483 -0.009 0.087) 0.491 9.965 ( 0.084 -0.014 0.006) 0.086 10.062 ( -0.083 0.183 0.604) 0.637 10.094 ( 0.125 -0.293 -0.686) 0.756 10.400 ( -0.351 0.511 0.332) 0.703 10.407 ( -0.364 -0.907 0.039) 0.979 10.468 ( -0.213 1.851 1.284) 2.263 10.508 ( 0.255 0.534 1.181) 1.320 10.543 ( -0.233 0.634 -0.887) 1.115 10.574 ( -0.910 -1.290 -1.001) 1.869 10.603 ( 0.741 -0.026 1.607) 1.770 10.690 ( 1.326 -1.741 -1.550) 2.682 ======================= Grid point 80 (38/70) ======================= q-point: (-0.17 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -3.047 6.498 2.967) 7.766 0.497 ( -1.658 3.607 11.148) 11.834 0.661 ( -5.552 1.767 -2.162) 6.214 0.718 ( -1.016 -0.719 0.789) 1.474 0.811 ( -4.027 5.118 -0.086) 6.512 0.881 ( -1.629 4.050 6.998) 8.247 0.947 ( 0.289 0.398 -2.203) 2.257 0.974 ( 1.700 -1.920 -2.260) 3.418 0.995 ( 0.236 0.853 1.225) 1.512 1.000 ( -0.238 2.346 -3.032) 3.841 1.100 ( 0.756 -0.782 -3.004) 3.195 1.227 ( 2.183 -1.136 -1.159) 2.720 1.279 ( 2.107 2.249 0.728) 3.167 1.315 ( 2.894 -3.063 -1.962) 4.648 1.457 ( 0.053 1.408 5.690) 5.862 1.531 ( -1.051 -6.350 0.865) 6.494 1.639 ( -4.780 -0.301 -0.998) 4.892 1.678 ( 0.890 1.510 1.457) 2.279 1.753 ( 2.891 -5.545 -3.223) 7.035 1.908 ( 1.154 -0.712 0.472) 1.436 1.963 ( 0.337 -2.126 -1.077) 2.407 1.996 ( 1.580 -5.701 -1.444) 6.089 2.015 ( 2.521 -3.617 0.447) 4.432 2.154 ( 3.006 -2.364 -4.725) 6.079 2.320 ( 1.429 -2.125 1.201) 2.828 2.482 ( -1.751 3.191 1.031) 3.783 2.545 ( -4.795 0.549 1.573) 5.076 2.613 ( 0.618 0.677 1.017) 1.369 2.667 ( 0.834 0.928 -2.831) 3.093 2.790 ( 1.615 1.796 1.072) 2.642 2.824 ( -1.588 -1.641 -2.417) 3.325 2.859 ( 3.095 2.516 5.057) 6.441 2.925 ( -2.081 -0.282 0.330) 2.126 2.961 ( 3.049 1.243 0.371) 3.313 3.024 ( 0.288 -0.443 0.768) 0.932 3.152 ( 0.697 0.179 -2.493) 2.594 3.167 ( -0.704 3.632 1.865) 4.143 3.262 ( 1.320 -1.495 -2.229) 2.991 3.346 ( 0.305 2.119 -0.157) 2.146 3.408 ( -0.518 -0.197 0.361) 0.661 3.893 ( -2.429 0.446 0.100) 2.472 3.944 ( -3.929 -0.908 -0.588) 4.076 4.248 ( 1.060 1.915 0.184) 2.196 4.279 ( 0.059 0.801 -0.931) 1.230 4.860 ( -0.311 1.083 0.359) 1.183 4.885 ( -0.093 -0.380 -0.141) 0.416 4.944 ( -0.153 -1.002 1.930) 2.180 4.955 ( 0.391 0.252 0.475) 0.665 4.979 ( -0.448 0.817 -0.406) 1.016 5.047 ( 0.275 -0.812 -1.138) 1.424 5.096 ( 0.030 -0.057 0.367) 0.372 5.134 ( -0.179 -0.886 -1.296) 1.580 5.202 ( -0.092 0.439 0.922) 1.025 5.276 ( -0.115 -1.273 -1.067) 1.665 5.559 ( 0.105 0.125 0.685) 0.704 5.582 ( -0.304 -0.408 -0.488) 0.705 9.266 ( -0.107 0.056 -0.064) 0.137 9.282 ( -0.261 -0.112 -0.376) 0.471 9.386 ( 0.033 0.068 -0.046) 0.089 9.410 ( 0.010 0.147 -0.248) 0.288 9.946 ( -0.184 0.065 0.196) 0.277 9.963 ( -0.259 -0.063 -0.074) 0.276 10.061 ( -0.143 0.198 0.675) 0.718 10.095 ( 0.109 -0.225 -0.703) 0.746 10.397 ( -0.324 -0.927 0.080) 0.985 10.399 ( -0.179 0.301 0.598) 0.693 10.467 ( -0.089 2.128 1.131) 2.412 10.513 ( 0.203 1.331 -0.161) 1.356 10.534 ( -0.483 0.382 -1.078) 1.241 10.556 ( -0.521 -0.906 -1.382) 1.732 10.627 ( 0.898 -0.739 3.102) 3.312 10.714 ( 1.396 -2.277 -1.495) 3.061 ======================= Grid point 81 (39/70) ======================= q-point: ( 0.00 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.470 ( -0.302 0.245 8.629) 8.638 0.574 ( -0.540 -2.938 3.821) 4.850 0.621 ( 2.530 4.305 0.320) 5.004 0.686 ( -1.675 1.560 3.201) 3.935 0.809 ( -0.506 3.380 -0.581) 3.467 0.919 ( -0.565 -1.354 -2.139) 2.594 0.957 ( 1.128 -1.495 -0.665) 1.987 0.987 ( 0.305 -0.877 -4.131) 4.234 1.035 ( -0.115 2.382 0.208) 2.394 1.040 ( -1.444 0.251 -1.356) 1.996 1.108 ( 1.638 3.977 2.831) 5.149 1.208 ( -0.155 -2.368 1.011) 2.580 1.313 ( 2.056 -0.484 -0.840) 2.273 1.349 ( -2.067 -2.344 -0.891) 3.249 1.465 ( 2.640 2.373 2.702) 4.461 1.477 ( 3.366 -2.701 0.715) 4.374 1.495 ( -6.581 0.005 0.801) 6.629 1.654 ( 1.166 -4.132 -4.966) 6.564 1.813 ( 2.800 2.323 0.244) 3.646 1.870 ( -2.244 -2.401 -1.245) 3.514 1.926 ( 1.145 -3.372 0.253) 3.570 1.957 ( -1.697 -0.778 3.090) 3.610 1.994 ( 1.734 -0.244 3.049) 3.516 2.153 ( 0.344 -1.801 -4.417) 4.783 2.322 ( 1.469 -0.038 -0.044) 1.470 2.428 ( -2.347 -3.118 -2.683) 4.736 2.535 ( -2.653 5.807 0.441) 6.400 2.654 ( 0.067 1.392 -2.636) 2.982 2.686 ( 0.739 0.590 -0.573) 1.106 2.752 ( -1.193 -1.451 0.331) 1.908 2.832 ( 0.771 -0.339 0.291) 0.891 2.850 ( -3.201 -0.839 -0.335) 3.327 2.952 ( 2.621 0.340 4.046) 4.833 3.033 ( 2.663 -0.483 0.585) 2.769 3.050 ( -0.180 2.276 0.591) 2.359 3.143 ( 0.708 -2.016 -3.547) 4.141 3.204 ( -2.782 2.778 1.778) 4.315 3.268 ( 0.491 -1.499 1.727) 2.338 3.377 ( -0.370 1.430 -0.535) 1.571 3.400 ( 0.920 0.539 -0.155) 1.077 3.880 ( 0.538 0.133 -0.110) 0.565 3.885 ( -0.668 -0.088 -0.144) 0.689 4.292 ( 0.012 1.301 -0.129) 1.307 4.300 ( 0.061 0.821 -0.378) 0.906 4.877 ( -0.092 0.433 0.199) 0.486 4.882 ( 0.077 0.431 0.203) 0.482 4.926 ( -0.189 -0.464 1.801) 1.870 4.955 ( -0.133 -0.586 0.455) 0.754 4.998 ( 0.277 0.966 -0.662) 1.204 5.030 ( 0.150 -0.802 -1.558) 1.759 5.098 ( -0.015 0.164 0.319) 0.359 5.114 ( -0.079 -0.715 -0.455) 0.851 5.212 ( -0.039 0.560 0.446) 0.717 5.247 ( -0.089 -1.132 -0.771) 1.372 5.563 ( -0.047 0.162 0.266) 0.315 5.575 ( 0.199 -0.421 -0.082) 0.473 9.269 ( 0.070 0.331 -0.120) 0.359 9.277 ( -0.189 0.081 -0.240) 0.316 9.394 ( 0.277 0.284 0.306) 0.501 9.408 ( -0.063 -0.170 -0.353) 0.397 9.952 ( -0.127 0.513 0.381) 0.651 9.960 ( 0.075 0.100 0.026) 0.127 10.066 ( -0.063 0.477 0.472) 0.674 10.088 ( 0.022 -0.495 -0.354) 0.609 10.359 ( 0.086 -1.790 0.131) 1.797 10.367 ( -0.226 -2.153 0.120) 2.168 10.496 ( -0.145 0.626 0.123) 0.654 10.515 ( -0.144 -0.525 -0.674) 0.867 10.554 ( -0.194 1.834 0.007) 1.844 10.574 ( 0.498 1.291 -0.918) 1.660 10.633 ( -0.213 0.672 1.780) 1.915 10.686 ( 0.382 -1.884 -0.636) 2.025 ======================= Grid point 82 (40/70) ======================= q-point: ( 0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 3.067 0.930 6.685) 7.413 0.609 ( 3.711 -2.056 1.674) 4.561 0.671 ( 1.018 2.493 5.344) 5.984 0.719 ( 5.426 1.293 -0.536) 5.604 0.828 ( 2.249 4.438 0.750) 5.031 0.876 ( -2.986 1.668 -1.753) 3.844 0.958 ( -0.715 0.527 -1.849) 2.051 1.005 ( 1.214 -0.290 -4.212) 4.393 1.019 ( 0.390 -1.169 -1.375) 1.846 1.049 ( 0.954 1.037 1.317) 1.928 1.127 ( 0.100 0.605 0.687) 0.921 1.194 ( -1.422 -2.390 1.253) 3.050 1.279 ( -4.356 -0.020 -0.484) 4.382 1.327 ( -3.554 5.390 -0.693) 6.493 1.387 ( -1.110 -6.163 0.456) 6.279 1.514 ( 1.973 -0.004 2.397) 3.104 1.548 ( 2.581 -2.949 1.759) 4.295 1.668 ( 0.657 -5.651 -3.673) 6.772 1.797 ( -2.869 0.681 -1.563) 3.337 1.875 ( 1.968 -0.097 0.421) 2.015 1.902 ( -4.390 -0.988 4.138) 6.113 1.919 ( -1.917 -3.040 -0.000) 3.594 2.008 ( -0.556 -0.530 0.160) 0.785 2.121 ( -2.386 -0.847 -5.905) 6.425 2.350 ( 0.591 0.536 1.540) 1.735 2.415 ( 2.010 -1.400 -3.766) 4.493 2.496 ( -1.337 4.760 1.026) 5.049 2.629 ( -1.655 -0.418 -2.387) 2.935 2.690 ( -0.281 0.398 1.711) 1.779 2.754 ( 0.995 0.830 1.227) 1.784 2.809 ( -0.873 -0.482 0.257) 1.030 2.865 ( 2.072 -1.575 1.284) 2.902 2.988 ( -0.118 0.907 1.081) 1.416 3.034 ( -0.555 2.686 0.900) 2.887 3.071 ( 0.897 -0.622 0.252) 1.120 3.126 ( -2.974 0.213 -2.429) 3.845 3.160 ( -0.336 0.814 -0.666) 1.104 3.250 ( -2.419 -3.348 2.822) 5.002 3.390 ( 1.635 2.404 -0.958) 3.061 3.422 ( 1.126 0.860 -0.006) 1.417 3.905 ( 2.610 0.437 -0.061) 2.648 3.922 ( 3.416 -0.348 -0.244) 3.442 4.281 ( -1.063 1.342 -0.137) 1.717 4.295 ( -0.473 0.613 -0.435) 0.889 4.877 ( 0.058 0.470 0.254) 0.538 4.885 ( 0.129 0.333 0.240) 0.430 4.927 ( 0.030 -0.401 1.656) 1.704 4.951 ( -0.323 -0.289 0.470) 0.639 5.003 ( 0.286 0.588 -0.678) 0.942 5.031 ( 0.208 -0.765 -1.574) 1.762 5.097 ( -0.135 0.111 0.382) 0.420 5.113 ( 0.052 -0.786 -0.490) 0.928 5.213 ( -0.002 0.565 0.602) 0.825 5.245 ( 0.115 -0.931 -0.833) 1.254 5.562 ( -0.100 0.221 0.270) 0.363 5.579 ( 0.248 -0.704 -0.175) 0.767 9.271 ( 0.170 0.264 -0.175) 0.360 9.274 ( -0.032 0.147 -0.144) 0.208 9.398 ( 0.100 0.064 0.149) 0.190 9.406 ( -0.072 -0.134 -0.289) 0.327 9.950 ( -0.033 0.508 0.267) 0.575 9.964 ( 0.165 -0.082 0.119) 0.219 10.066 ( -0.079 0.466 0.437) 0.644 10.087 ( -0.057 -0.521 -0.327) 0.618 10.371 ( 1.017 -1.663 0.370) 1.984 10.372 ( 0.765 -1.717 -0.035) 1.880 10.495 ( -0.046 0.759 0.290) 0.814 10.512 ( -0.165 0.050 -0.442) 0.475 10.549 ( -0.244 1.483 -0.327) 1.538 10.579 ( 0.166 0.437 -0.789) 0.917 10.625 ( -0.867 0.994 1.580) 2.058 10.683 ( -0.611 -1.888 -0.619) 2.079 ======================= Grid point 83 (41/70) ======================= q-point: ( 0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( 2.238 2.756 4.003) 5.350 0.704 ( 4.070 -1.967 0.840) 4.598 0.713 ( 2.946 2.668 4.412) 5.938 0.797 ( 0.251 1.965 -0.381) 2.018 0.841 ( 1.988 1.746 -0.338) 2.667 0.888 ( 3.311 5.257 1.227) 6.333 0.933 ( -1.032 0.900 -2.285) 2.664 1.012 ( -1.657 0.669 -1.951) 2.646 1.018 ( 0.172 -0.206 -1.776) 1.796 1.071 ( 0.922 -2.559 2.569) 3.742 1.110 ( -1.187 -0.143 -1.200) 1.694 1.162 ( -2.037 0.728 -3.297) 3.944 1.215 ( -1.692 -1.598 0.210) 2.337 1.232 ( -3.088 2.568 -1.391) 4.250 1.435 ( 3.700 -4.795 1.925) 6.355 1.519 ( -1.801 0.614 4.138) 4.555 1.578 ( -0.137 -7.397 -1.035) 7.470 1.649 ( -1.372 -4.500 1.887) 5.069 1.751 ( -3.174 -1.651 -0.766) 3.659 1.822 ( -3.490 -2.937 4.516) 6.419 1.864 ( -2.055 -1.281 -2.356) 3.378 1.930 ( 2.888 0.226 -1.228) 3.146 1.983 ( -1.409 0.388 -2.405) 2.814 2.061 ( -2.177 -0.166 -6.989) 7.322 2.349 ( -0.711 3.031 0.438) 3.144 2.456 ( 2.210 0.258 -4.789) 5.281 2.500 ( 1.432 1.191 3.547) 4.006 2.602 ( -0.744 -0.751 0.701) 1.269 2.699 ( 0.665 1.223 4.612) 4.818 2.776 ( 0.948 -0.094 1.454) 1.739 2.809 ( 0.159 1.012 0.852) 1.333 2.902 ( 1.365 -1.592 1.566) 2.617 2.964 ( -1.466 2.598 0.230) 2.992 3.026 ( -1.570 1.812 -1.681) 2.928 3.057 ( -2.073 0.582 -0.459) 2.201 3.080 ( -0.079 -0.262 -1.010) 1.047 3.168 ( 0.787 -0.593 -0.886) 1.325 3.206 ( -2.285 -2.952 1.838) 4.161 3.419 ( 1.322 2.064 -0.680) 2.543 3.436 ( 0.307 1.403 -0.312) 1.469 3.965 ( 3.217 0.627 0.036) 3.278 3.987 ( 2.868 -0.341 -0.215) 2.896 4.256 ( -1.381 1.452 -0.022) 2.004 4.282 ( -0.665 0.056 -0.765) 1.015 4.879 ( 0.129 0.334 0.413) 0.546 4.887 ( 0.057 0.294 0.329) 0.445 4.932 ( 0.171 -0.337 1.317) 1.370 4.945 ( -0.398 0.077 0.553) 0.686 5.005 ( 0.110 0.223 -0.814) 0.851 5.032 ( 0.186 -0.682 -1.500) 1.658 5.095 ( -0.148 0.034 0.451) 0.476 5.114 ( 0.189 -0.978 -0.529) 1.128 5.214 ( -0.036 0.640 0.708) 0.956 5.248 ( 0.257 -0.877 -0.811) 1.222 5.561 ( -0.081 0.268 0.313) 0.420 5.582 ( 0.099 -0.887 -0.358) 0.961 9.273 ( 0.069 0.266 -0.168) 0.322 9.276 ( 0.197 -0.001 -0.068) 0.208 9.398 ( -0.072 0.012 -0.175) 0.190 9.404 ( -0.109 -0.267 -0.125) 0.314 9.952 ( 0.249 0.261 0.196) 0.411 9.964 ( -0.115 -0.238 0.138) 0.299 10.065 ( -0.019 0.373 0.394) 0.543 10.085 ( -0.074 -0.546 -0.300) 0.628 10.390 ( 0.999 -0.910 -0.071) 1.353 10.395 ( 1.121 -0.809 0.598) 1.506 10.495 ( 0.017 0.999 0.512) 1.123 10.507 ( -0.222 0.753 0.083) 0.789 10.546 ( 0.063 0.516 -0.610) 0.801 10.577 ( -0.224 -0.593 -0.540) 0.833 10.611 ( -0.724 1.058 1.034) 1.647 10.665 ( -1.005 -1.653 -0.814) 2.099 ======================= Grid point 84 (42/70) ======================= q-point: (-0.50 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.135 3.499 2.248) 4.161 0.693 ( -3.834 2.465 4.861) 6.663 0.760 ( 0.110 0.969 -2.869) 3.030 0.853 ( 5.476 4.866 1.046) 7.400 0.885 ( 1.693 1.929 2.256) 3.417 0.891 ( -3.636 -3.483 1.417) 5.230 0.905 ( -2.849 0.445 -0.545) 2.934 0.993 ( 2.290 0.428 -0.700) 2.432 1.018 ( 0.066 2.490 -1.402) 2.858 1.058 ( -0.905 -1.581 -0.231) 1.836 1.108 ( -1.576 6.796 -0.849) 7.028 1.131 ( 0.645 -3.575 -4.075) 5.459 1.195 ( 0.375 -0.885 -2.556) 2.731 1.235 ( 2.141 -2.684 -2.302) 4.133 1.441 ( -2.867 2.074 5.828) 6.818 1.536 ( -1.118 -5.530 3.609) 6.698 1.581 ( 5.359 -7.435 0.061) 9.165 1.639 ( -0.323 0.213 1.424) 1.476 1.659 ( -4.834 -6.542 -0.416) 8.145 1.787 ( -1.989 -5.586 2.992) 6.642 1.850 ( 0.973 0.606 -2.291) 2.562 1.942 ( -0.760 -1.864 -1.900) 2.768 2.001 ( 3.322 1.526 -4.547) 5.834 2.021 ( -0.708 1.200 -4.819) 5.016 2.330 ( -1.065 4.066 -1.122) 4.350 2.490 ( 2.505 -0.021 -4.265) 4.946 2.539 ( 1.328 -0.855 3.885) 4.194 2.607 ( 0.919 -0.632 2.181) 2.449 2.717 ( -0.377 2.115 5.412) 5.823 2.790 ( 0.042 -1.013 2.427) 2.630 2.813 ( 0.484 3.375 1.830) 3.869 2.902 ( -2.327 0.146 0.696) 2.433 2.948 ( -0.337 1.617 -0.268) 1.674 2.989 ( 0.002 0.240 -2.160) 2.174 3.043 ( -0.404 0.672 -0.898) 1.193 3.079 ( 0.304 -1.341 -0.791) 1.586 3.175 ( -0.194 -0.670 0.194) 0.724 3.186 ( 0.542 -0.974 0.096) 1.119 3.430 ( -0.434 1.748 -0.490) 1.867 3.436 ( 0.123 1.508 -0.603) 1.628 4.003 ( -0.100 0.547 0.229) 0.601 4.015 ( 0.285 -0.055 -0.228) 0.369 4.240 ( -0.005 1.469 0.132) 1.475 4.273 ( 0.039 -0.322 -1.090) 1.137 4.882 ( 0.037 0.147 0.556) 0.576 4.888 ( -0.094 0.317 0.341) 0.475 4.934 ( -0.322 -0.261 0.878) 0.971 4.943 ( 0.193 0.204 0.858) 0.903 5.004 ( -0.100 0.175 -0.911) 0.933 5.032 ( 0.139 -0.657 -1.422) 1.572 5.094 ( -0.077 0.020 0.443) 0.450 5.117 ( 0.223 -1.138 -0.537) 1.278 5.214 ( -0.107 0.730 0.696) 1.014 5.251 ( 0.204 -0.994 -0.742) 1.257 5.561 ( -0.045 0.281 0.360) 0.459 5.582 ( -0.081 -0.851 -0.464) 0.973 9.274 ( -0.009 0.237 -0.083) 0.251 9.280 ( 0.167 -0.104 -0.106) 0.224 9.396 ( -0.169 -0.017 -0.153) 0.228 9.402 ( 0.035 -0.265 -0.223) 0.348 9.958 ( 0.169 -0.033 0.201) 0.265 9.961 ( -0.198 -0.156 0.107) 0.274 10.066 ( -0.021 0.292 0.383) 0.482 10.084 ( 0.043 -0.544 -0.298) 0.622 10.402 ( 0.137 -0.208 0.257) 0.358 10.406 ( -0.122 -0.209 0.293) 0.381 10.497 ( 0.095 1.134 0.585) 1.280 10.508 ( 0.297 0.659 0.543) 0.905 10.550 ( 0.432 0.115 -0.479) 0.655 10.568 ( -0.544 -0.934 -0.480) 1.183 10.603 ( -0.215 0.737 0.505) 0.919 10.650 ( -0.148 -1.420 -0.962) 1.721 ======================= Grid point 85 (43/70) ======================= q-point: (-0.33 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.594 ( -3.864 3.413 2.959) 5.944 0.609 ( -3.574 3.142 4.879) 6.815 0.725 ( -3.826 -0.815 1.170) 4.083 0.805 ( -4.376 -2.375 -0.582) 5.013 0.865 ( -0.902 2.766 -2.948) 4.141 0.912 ( 1.147 0.314 2.450) 2.723 0.938 ( 1.154 2.150 1.086) 2.671 0.989 ( -0.266 3.087 -0.960) 3.244 1.027 ( 0.233 1.090 -3.114) 3.307 1.064 ( -0.886 1.751 2.976) 3.565 1.100 ( 1.114 -0.254 -3.453) 3.637 1.137 ( 2.373 -1.940 -1.084) 3.251 1.212 ( 1.702 -2.532 -2.104) 3.707 1.275 ( 2.865 0.218 -1.846) 3.415 1.406 ( -2.031 -3.012 2.137) 4.214 1.524 ( -1.099 1.005 6.661) 6.826 1.597 ( -1.355 -7.973 -1.226) 8.179 1.633 ( 1.985 0.795 0.861) 2.305 1.710 ( 2.490 -1.785 -1.500) 3.411 1.771 ( 2.863 -5.654 2.941) 6.987 1.877 ( 2.031 -2.454 -1.247) 3.421 1.930 ( -0.388 -2.815 -1.852) 3.392 1.991 ( -1.010 3.679 -1.924) 4.273 2.069 ( 3.778 -0.457 -4.222) 5.684 2.313 ( -0.226 3.256 -2.654) 4.207 2.519 ( 0.565 -4.052 -5.314) 6.706 2.562 ( 0.550 1.648 6.662) 6.884 2.635 ( 1.423 -0.662 1.151) 1.946 2.696 ( -2.218 3.242 1.999) 4.407 2.796 ( 0.205 -0.961 2.259) 2.464 2.839 ( 0.844 1.431 3.868) 4.210 2.850 ( -1.686 2.371 -0.048) 2.910 2.947 ( 0.652 0.968 -0.806) 1.418 2.983 ( -1.551 0.195 -1.857) 2.427 3.032 ( -0.218 0.881 -0.676) 1.132 3.097 ( 1.695 -2.472 -0.943) 3.142 3.189 ( 1.751 0.517 -0.551) 1.907 3.207 ( 1.323 -0.323 1.850) 2.297 3.410 ( -1.253 1.969 -0.825) 2.475 3.431 ( -0.738 0.681 -0.245) 1.034 3.965 ( -3.241 0.774 0.021) 3.332 3.993 ( -2.663 -0.620 -0.191) 2.741 4.256 ( 1.364 1.413 0.044) 1.964 4.281 ( 0.819 0.037 -0.847) 1.179 4.882 ( -0.156 0.003 0.479) 0.504 4.885 ( -0.200 0.530 0.269) 0.627 4.929 ( -0.294 -0.270 1.198) 1.263 4.950 ( 0.257 -0.092 0.733) 0.782 4.999 ( -0.156 0.511 -0.897) 1.045 5.032 ( 0.098 -0.730 -1.419) 1.599 5.094 ( 0.052 0.088 0.371) 0.385 5.119 ( 0.036 -1.076 -0.523) 1.197 5.213 ( -0.093 0.713 0.598) 0.936 5.252 ( 0.051 -1.192 -0.689) 1.378 5.561 ( 0.014 0.261 0.366) 0.450 5.578 ( -0.193 -0.635 -0.407) 0.779 9.272 ( -0.123 0.251 -0.075) 0.289 9.282 ( 0.056 -0.142 -0.150) 0.214 9.391 ( -0.195 0.175 -0.145) 0.299 9.405 ( 0.227 -0.315 -0.176) 0.426 9.954 ( -0.275 0.173 0.197) 0.380 9.963 ( 0.089 -0.188 0.133) 0.247 10.066 ( -0.041 0.306 0.395) 0.502 10.086 ( 0.146 -0.536 -0.303) 0.633 10.390 ( -1.204 -0.597 -0.039) 1.345 10.397 ( -0.876 -0.587 0.553) 1.190 10.500 ( 0.010 0.853 0.526) 1.002 10.518 ( 0.498 0.366 0.020) 0.618 10.552 ( -0.188 0.114 -0.447) 0.498 10.563 ( 0.193 0.462 -0.450) 0.673 10.608 ( 0.631 0.594 0.980) 1.308 10.656 ( 0.836 -1.597 -0.936) 2.031 ======================= Grid point 86 (44/70) ======================= q-point: (-0.17 0.38 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -4.505 1.924 6.678) 8.282 0.584 ( -1.032 3.336 3.788) 5.152 0.641 ( -4.470 -2.138 3.302) 5.955 0.731 ( -3.268 1.127 0.155) 3.461 0.842 ( -1.745 1.143 -2.504) 3.259 0.912 ( 0.402 -1.114 -1.996) 2.321 0.942 ( 0.213 0.276 0.028) 0.350 0.999 ( -0.143 1.352 -0.832) 1.594 1.040 ( 0.148 0.779 -1.270) 1.497 1.053 ( 1.191 4.271 2.142) 4.925 1.083 ( -1.106 -0.259 -2.510) 2.755 1.195 ( 1.500 -2.247 0.961) 2.867 1.258 ( 3.663 -1.007 0.220) 3.806 1.358 ( 4.824 4.135 -1.673) 6.570 1.374 ( -0.136 -7.572 -0.224) 7.577 1.494 ( -2.834 1.052 3.732) 4.803 1.582 ( -1.822 -2.902 1.035) 3.579 1.653 ( -0.736 -3.362 -2.146) 4.056 1.741 ( 4.111 3.284 -0.315) 5.272 1.874 ( 4.300 -3.227 1.275) 5.525 1.908 ( -0.961 -3.364 -1.345) 3.748 1.929 ( 3.005 -4.664 0.144) 5.550 1.977 ( -0.572 3.879 1.984) 4.394 2.127 ( 2.897 -1.728 -3.976) 5.214 2.309 ( 0.277 1.656 -2.374) 2.907 2.487 ( -2.695 -5.025 -2.464) 6.212 2.575 ( -1.110 4.432 3.995) 6.069 2.650 ( -0.208 1.705 -0.204) 1.730 2.671 ( 0.706 1.019 -1.952) 2.312 2.784 ( -1.717 -2.016 -0.426) 2.682 2.829 ( 0.010 1.580 0.203) 1.593 2.883 ( 1.630 -0.700 4.810) 5.127 2.930 ( -2.888 1.076 -0.952) 3.225 2.976 ( 2.556 -0.032 0.016) 2.556 3.039 ( 0.901 1.997 0.271) 2.208 3.127 ( 1.547 -2.164 -2.266) 3.494 3.224 ( 0.667 1.731 2.129) 2.824 3.237 ( 1.772 -0.482 0.650) 1.948 3.387 ( -0.712 1.678 -0.823) 2.000 3.409 ( -1.404 0.097 -0.015) 1.407 3.903 ( -2.689 0.596 -0.068) 2.755 3.929 ( -3.455 -0.674 -0.238) 3.528 4.281 ( 1.092 1.344 -0.084) 1.733 4.294 ( 0.610 0.586 -0.498) 0.982 4.879 ( -0.186 0.131 0.276) 0.358 4.882 ( -0.126 0.625 0.227) 0.676 4.927 ( -0.245 -0.432 1.639) 1.713 4.954 ( 0.076 -0.502 0.560) 0.756 4.996 ( 0.044 0.949 -0.792) 1.237 5.031 ( 0.089 -0.794 -1.480) 1.682 5.096 ( 0.101 0.154 0.313) 0.363 5.117 ( -0.128 -0.842 -0.477) 0.976 5.212 ( -0.063 0.618 0.454) 0.769 5.250 ( -0.097 -1.279 -0.695) 1.459 5.562 ( 0.074 0.196 0.324) 0.386 5.574 ( -0.106 -0.394 -0.218) 0.463 9.270 ( -0.089 0.311 -0.098) 0.338 9.281 ( -0.126 -0.072 -0.217) 0.261 9.390 ( 0.052 0.364 0.075) 0.375 9.408 ( 0.118 -0.295 -0.228) 0.391 9.951 ( -0.038 0.432 0.280) 0.516 9.962 ( -0.168 -0.049 0.099) 0.201 10.066 ( -0.021 0.397 0.442) 0.595 10.088 ( 0.107 -0.512 -0.332) 0.620 10.368 ( -0.972 -1.366 -0.084) 1.678 10.379 ( -0.973 -1.602 0.453) 1.928 10.499 ( -0.152 0.636 0.245) 0.698 10.520 ( -0.146 -0.599 -0.673) 0.912 10.553 ( 0.254 1.638 -0.047) 1.658 10.566 ( 0.340 1.282 -0.673) 1.487 10.625 ( 0.660 0.496 1.622) 1.820 10.673 ( 1.010 -1.768 -0.799) 2.188 ======================= Grid point 87 (45/70) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( -0.897 -2.994 8.197) 8.772 0.495 ( -0.897 2.994 8.197) 8.772 0.694 ( 0.996 -2.095 -0.106) 2.322 0.694 ( 0.996 2.095 -0.106) 2.322 0.883 ( 0.588 -3.382 -3.358) 4.802 0.883 ( 0.588 3.382 -3.358) 4.802 0.950 ( -0.642 -1.361 -0.818) 1.713 0.950 ( -0.642 1.361 -0.818) 1.713 1.046 ( 0.378 -1.119 -0.819) 1.437 1.046 ( 0.378 1.119 -0.819) 1.437 1.165 ( -0.924 -1.933 4.321) 4.823 1.165 ( -0.924 1.933 4.321) 4.823 1.306 ( 1.392 -1.065 -1.972) 2.638 1.306 ( 1.392 1.065 -1.972) 2.638 1.473 ( 0.022 -1.107 1.650) 1.987 1.473 ( 0.022 1.107 1.650) 1.987 1.567 ( -0.775 -4.757 -2.241) 5.316 1.567 ( -0.775 4.757 -2.241) 5.316 1.839 ( 0.278 -1.117 -2.053) 2.354 1.839 ( 0.278 1.117 -2.053) 2.354 1.906 ( 0.796 -2.116 2.488) 3.362 1.906 ( 0.796 2.116 2.488) 3.362 2.075 ( 0.018 -5.373 1.858) 5.686 2.075 ( 0.018 5.373 1.858) 5.686 2.359 ( 0.173 -3.253 -4.278) 5.377 2.359 ( 0.173 3.253 -4.278) 5.377 2.634 ( -2.170 -3.507 -0.373) 4.140 2.634 ( -2.170 3.507 -0.373) 4.140 2.717 ( 0.738 -1.945 0.871) 2.255 2.717 ( 0.738 1.945 0.871) 2.255 2.831 ( -1.565 -0.577 -0.596) 1.771 2.831 ( -1.565 0.577 -0.596) 1.771 2.989 ( 2.600 -2.937 0.849) 4.013 2.989 ( 2.600 2.937 0.849) 4.013 3.100 ( 0.096 -2.247 -0.967) 2.448 3.100 ( 0.096 2.247 -0.967) 2.448 3.243 ( -1.541 -1.409 2.853) 3.536 3.243 ( -1.541 1.409 2.853) 3.536 3.399 ( 0.726 -0.637 -0.828) 1.272 3.399 ( 0.726 0.637 -0.828) 1.272 3.883 ( -0.037 -0.112 -0.157) 0.196 3.883 ( -0.037 0.112 -0.157) 0.196 4.307 ( 0.038 -0.196 -0.263) 0.330 4.307 ( 0.038 0.196 -0.263) 0.330 4.883 ( -0.036 -0.353 0.541) 0.647 4.883 ( -0.036 0.353 0.541) 0.647 4.935 ( -0.077 -1.135 0.738) 1.356 4.935 ( -0.077 1.135 0.738) 1.356 5.015 ( 0.166 -0.776 -1.197) 1.437 5.015 ( 0.166 0.776 -1.197) 1.437 5.103 ( -0.066 -0.374 0.113) 0.396 5.103 ( -0.066 0.374 0.113) 0.396 5.226 ( -0.007 -0.893 -0.184) 0.911 5.226 ( -0.007 0.893 -0.184) 0.911 5.568 ( 0.033 -0.288 0.054) 0.295 5.568 ( 0.033 0.288 0.054) 0.295 9.276 ( -0.031 -0.243 -0.172) 0.299 9.276 ( -0.031 0.243 -0.172) 0.299 9.401 ( 0.077 -0.454 0.028) 0.461 9.401 ( 0.077 0.454 0.028) 0.461 9.960 ( -0.022 -0.217 0.267) 0.345 9.960 ( -0.022 0.217 0.267) 0.345 10.077 ( -0.012 -0.590 0.099) 0.599 10.077 ( -0.012 0.590 0.099) 0.599 10.341 ( -0.104 -0.241 -0.152) 0.304 10.341 ( -0.104 0.241 -0.152) 0.304 10.505 ( -0.063 -0.443 -0.251) 0.513 10.505 ( -0.063 0.443 -0.251) 0.513 10.580 ( -0.013 -0.656 -0.232) 0.696 10.580 ( -0.013 0.656 -0.232) 0.696 10.656 ( 0.174 -1.370 0.436) 1.448 10.656 ( 0.174 1.370 0.436) 1.448 ======================= Grid point 89 (46/70) ======================= q-point: ( 0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 4.611 -2.722 6.052) 8.081 0.549 ( 4.611 2.722 6.052) 8.081 0.720 ( 1.607 -1.597 1.446) 2.687 0.720 ( 1.607 1.597 1.446) 2.687 0.897 ( 0.794 -1.114 -3.222) 3.500 0.897 ( 0.794 1.114 -3.222) 3.500 0.965 ( 2.957 -2.476 -1.963) 4.327 0.965 ( 2.957 2.476 -1.963) 4.327 1.044 ( -0.449 -1.905 -1.381) 2.395 1.044 ( -0.449 1.905 -1.381) 2.395 1.135 ( -2.775 -1.903 3.446) 4.817 1.135 ( -2.775 1.903 3.446) 4.817 1.304 ( -1.600 -2.281 0.224) 2.795 1.304 ( -1.600 2.281 0.224) 2.795 1.445 ( -2.056 -5.128 -2.266) 5.972 1.445 ( -2.056 5.128 -2.266) 5.972 1.570 ( 0.665 -3.303 1.991) 3.914 1.570 ( 0.665 3.303 1.991) 3.914 1.836 ( -2.163 -2.811 0.997) 3.684 1.836 ( -2.163 2.811 0.997) 3.684 1.889 ( -0.710 -1.588 -0.512) 1.813 1.889 ( -0.710 1.588 -0.512) 1.813 2.063 ( -1.545 -4.336 -1.136) 4.741 2.063 ( -1.545 4.336 -1.136) 4.741 2.376 ( 2.138 -2.062 -3.061) 4.265 2.376 ( 2.138 2.062 -3.061) 4.265 2.587 ( -2.192 -3.721 -0.130) 4.321 2.587 ( -2.192 3.721 -0.130) 4.321 2.726 ( -0.128 -2.685 1.875) 3.277 2.726 ( -0.128 2.685 1.875) 3.277 2.830 ( 1.326 -1.939 0.617) 2.428 2.830 ( 1.326 1.939 0.617) 2.428 3.032 ( 1.433 -2.959 -0.768) 3.376 3.032 ( 1.433 2.959 -0.768) 3.376 3.084 ( -1.503 -2.383 -0.609) 2.883 3.084 ( -1.503 2.383 -0.609) 2.883 3.203 ( -2.532 -2.131 2.292) 4.026 3.203 ( -2.532 2.131 2.292) 4.026 3.423 ( 1.515 -0.855 -0.546) 1.823 3.423 ( 1.515 0.855 -0.546) 1.823 3.914 ( 3.041 -0.455 -0.158) 3.079 3.914 ( 3.041 0.455 -0.158) 3.079 4.298 ( -0.857 -0.362 -0.277) 0.970 4.298 ( -0.857 0.362 -0.277) 0.970 4.884 ( 0.041 -0.353 0.526) 0.635 4.884 ( 0.041 0.353 0.526) 0.635 4.936 ( 0.002 -0.999 0.779) 1.267 4.936 ( 0.002 0.999 0.779) 1.267 5.016 ( 0.144 -0.742 -1.260) 1.470 5.016 ( 0.144 0.742 -1.260) 1.470 5.101 ( -0.135 -0.362 0.124) 0.405 5.101 ( -0.135 0.362 0.124) 0.405 5.227 ( 0.123 -0.867 -0.148) 0.888 5.227 ( 0.123 0.867 -0.148) 0.888 5.568 ( 0.021 -0.418 0.029) 0.420 5.568 ( 0.021 0.418 0.029) 0.420 9.275 ( 0.034 -0.079 -0.152) 0.175 9.275 ( 0.034 0.079 -0.152) 0.175 9.402 ( -0.058 -0.246 -0.017) 0.254 9.402 ( -0.058 0.246 -0.017) 0.254 9.959 ( -0.063 -0.382 0.248) 0.460 9.959 ( -0.063 0.382 0.248) 0.460 10.076 ( -0.103 -0.573 0.093) 0.590 10.076 ( -0.103 0.573 0.093) 0.590 10.353 ( 1.296 -0.116 -0.048) 1.302 10.353 ( 1.296 0.116 -0.048) 1.302 10.505 ( 0.113 -0.439 -0.208) 0.498 10.505 ( 0.113 0.439 -0.208) 0.498 10.575 ( -0.446 -0.845 -0.189) 0.974 10.575 ( -0.446 0.845 -0.189) 0.974 10.651 ( -0.682 -1.460 0.298) 1.639 10.651 ( -0.682 1.460 0.298) 1.639 ======================= Grid point 91 (47/70) ======================= q-point: ( 0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 4.034 -3.566 3.607) 6.481 0.651 ( 4.034 3.566 3.607) 6.481 0.766 ( 2.908 -2.993 2.362) 4.795 0.766 ( 2.908 2.993 2.362) 4.795 0.899 ( 0.437 -1.850 -3.514) 3.995 0.899 ( 0.437 1.850 -3.514) 3.995 1.000 ( -1.437 -3.230 -0.413) 3.560 1.000 ( -1.437 3.230 -0.413) 3.560 1.046 ( 1.420 -0.724 -2.670) 3.109 1.046 ( 1.420 0.724 -2.670) 3.109 1.092 ( -0.795 -3.387 1.130) 3.658 1.092 ( -0.795 3.387 1.130) 3.658 1.260 ( -2.245 -3.151 -0.521) 3.904 1.260 ( -2.245 3.151 -0.521) 3.904 1.418 ( 0.068 -5.890 -0.883) 5.956 1.418 ( 0.068 5.890 -0.883) 5.956 1.575 ( -1.419 -3.644 4.592) 6.031 1.575 ( -1.419 3.644 4.592) 6.031 1.756 ( -4.874 -2.467 2.292) 5.925 1.756 ( -4.874 2.467 2.292) 5.925 1.896 ( 0.396 -2.688 -1.582) 3.144 1.896 ( 0.396 2.688 -1.582) 3.144 2.028 ( -0.699 -2.776 -5.496) 6.197 2.028 ( -0.699 2.776 -5.496) 6.197 2.411 ( 1.679 -3.107 -3.127) 4.717 2.411 ( 1.679 3.107 -3.127) 4.717 2.562 ( -0.504 -3.152 2.156) 3.852 2.562 ( -0.504 3.152 2.156) 3.852 2.736 ( 0.713 -2.310 3.906) 4.594 2.736 ( 0.713 2.310 3.906) 4.594 2.861 ( 1.417 -2.597 1.013) 3.127 2.861 ( 1.417 2.597 1.013) 3.127 3.019 ( -2.400 -2.694 -0.923) 3.724 3.019 ( -2.400 2.694 -0.923) 3.724 3.064 ( -0.278 -0.956 -0.565) 1.145 3.064 ( -0.278 0.956 -0.565) 1.145 3.173 ( -0.707 -1.018 0.530) 1.348 3.173 ( -0.707 1.018 0.530) 1.348 3.445 ( 0.807 -0.498 -0.509) 1.076 3.445 ( 0.807 0.498 -0.509) 1.076 3.978 ( 3.131 -0.577 -0.081) 3.185 3.978 ( 3.131 0.577 -0.081) 3.185 4.277 ( -1.164 -0.673 -0.350) 1.390 4.277 ( -1.164 0.673 -0.350) 1.390 4.886 ( 0.024 -0.339 0.495) 0.601 4.886 ( 0.024 0.339 0.495) 0.601 4.938 ( 0.008 -0.647 0.877) 1.090 4.938 ( 0.008 0.647 0.877) 1.090 5.016 ( 0.102 -0.815 -1.363) 1.592 5.016 ( 0.102 0.815 -1.363) 1.592 5.099 ( -0.081 -0.464 0.118) 0.486 5.099 ( -0.081 0.464 0.118) 0.486 5.230 ( 0.139 -0.909 -0.086) 0.923 5.230 ( 0.139 0.909 -0.086) 0.923 5.569 ( -0.004 -0.518 -0.017) 0.519 5.569 ( -0.004 0.518 -0.017) 0.519 9.276 ( 0.081 -0.063 -0.104) 0.146 9.276 ( 0.081 0.063 -0.104) 0.146 9.400 ( -0.133 -0.181 -0.106) 0.249 9.400 ( -0.133 0.181 -0.106) 0.249 9.959 ( -0.058 -0.332 0.209) 0.397 9.959 ( -0.058 0.332 0.209) 0.397 10.074 ( -0.084 -0.522 0.085) 0.535 10.074 ( -0.084 0.522 0.085) 0.535 10.383 ( 1.594 -0.225 0.201) 1.622 10.383 ( 1.594 0.225 0.201) 1.622 10.509 ( 0.245 -0.390 -0.139) 0.481 10.509 ( 0.245 0.390 -0.139) 0.481 10.563 ( -0.700 -0.903 -0.116) 1.148 10.563 ( -0.700 0.903 -0.116) 1.148 10.635 ( -0.857 -1.353 0.007) 1.602 10.635 ( -0.857 1.353 0.007) 1.602 ======================= Grid point 93 (48/70) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.598 -3.317 2.113) 3.978 0.689 ( -0.598 3.317 2.113) 3.978 0.797 ( -1.909 -4.351 1.796) 5.079 0.797 ( -1.909 4.351 1.796) 5.079 0.897 ( 0.545 -0.333 -0.398) 0.752 0.897 ( 0.545 0.333 -0.398) 0.752 0.992 ( 2.085 -5.313 -1.638) 5.938 0.992 ( 2.085 5.313 -1.638) 5.938 1.040 ( -0.385 -3.123 -1.806) 3.628 1.040 ( -0.385 3.123 -1.806) 3.628 1.102 ( 0.139 -4.664 -0.817) 4.738 1.102 ( 0.139 4.664 -0.817) 4.738 1.224 ( -1.291 -3.260 -2.037) 4.055 1.224 ( -1.291 3.260 -2.037) 4.055 1.455 ( 2.109 -2.915 0.602) 3.648 1.455 ( 2.109 2.915 0.602) 3.648 1.536 ( -1.088 -4.223 5.203) 6.789 1.536 ( -1.088 4.223 5.203) 6.789 1.696 ( -1.890 -3.558 2.009) 4.502 1.696 ( -1.890 3.558 2.009) 4.502 1.888 ( -0.591 -2.836 -1.656) 3.337 1.888 ( -0.591 2.836 -1.656) 3.337 2.028 ( 1.527 -0.727 -6.041) 6.274 2.028 ( 1.527 0.727 -6.041) 6.274 2.421 ( 0.154 -4.803 -4.024) 6.268 2.421 ( 0.154 4.803 -4.024) 6.268 2.574 ( 1.040 -2.360 3.542) 4.382 2.574 ( 1.040 2.360 3.542) 4.382 2.758 ( 0.365 -1.908 5.225) 5.574 2.758 ( 0.365 1.908 5.225) 5.574 2.877 ( -0.270 -2.425 1.233) 2.734 2.877 ( -0.270 2.425 1.233) 2.734 2.978 ( -0.936 -1.291 -0.761) 1.767 2.978 ( -0.936 1.291 -0.761) 1.767 3.057 ( -0.383 -0.795 -1.028) 1.355 3.057 ( -0.383 0.795 -1.028) 1.355 3.175 ( 0.762 -0.338 -0.444) 0.944 3.175 ( 0.762 0.338 -0.444) 0.944 3.449 ( -0.268 -0.221 -0.550) 0.650 3.449 ( -0.268 0.221 -0.550) 0.650 4.012 ( 0.077 -0.297 0.013) 0.307 4.012 ( 0.077 0.297 0.013) 0.307 4.263 ( 0.000 -0.811 -0.428) 0.917 4.263 ( 0.000 0.811 -0.428) 0.917 4.886 ( -0.072 -0.295 0.477) 0.565 4.886 ( -0.072 0.295 0.477) 0.565 4.939 ( -0.065 -0.548 0.943) 1.093 4.939 ( -0.065 0.548 0.943) 1.093 5.015 ( 0.083 -0.914 -1.408) 1.681 5.015 ( 0.083 0.914 -1.408) 1.681 5.099 ( 0.050 -0.609 0.099) 0.619 5.099 ( 0.050 0.609 0.099) 0.619 5.231 ( 0.015 -0.982 -0.058) 0.984 5.231 ( 0.015 0.982 -0.058) 0.984 5.568 ( -0.028 -0.522 -0.037) 0.525 5.568 ( -0.028 0.522 -0.037) 0.525 9.277 ( 0.053 -0.151 -0.076) 0.177 9.277 ( 0.053 0.151 -0.076) 0.177 9.397 ( -0.053 -0.198 -0.151) 0.254 9.397 ( -0.053 0.198 -0.151) 0.254 9.958 ( -0.025 -0.076 0.189) 0.205 9.958 ( -0.025 0.076 0.189) 0.205 10.074 ( -0.003 -0.488 0.082) 0.495 10.074 ( -0.003 0.488 0.082) 0.495 10.402 ( 0.117 -0.163 0.372) 0.423 10.402 ( 0.117 0.163 0.372) 0.423 10.513 ( 0.137 -0.322 -0.134) 0.375 10.513 ( 0.137 0.322 -0.134) 0.375 10.554 ( 0.001 -0.423 -0.062) 0.427 10.554 ( 0.001 0.423 -0.062) 0.427 10.624 ( -0.237 -1.239 -0.179) 1.274 10.624 ( -0.237 1.239 -0.179) 1.274 ======================= Grid point 95 (49/70) ======================= q-point: (-0.33 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( -4.589 -0.529 4.109) 6.182 0.645 ( -4.589 0.529 4.109) 6.182 0.726 ( -3.622 -2.826 0.475) 4.619 0.726 ( -3.622 2.826 0.475) 4.619 0.921 ( 0.260 -0.892 -0.879) 1.279 0.921 ( 0.260 0.892 -0.879) 1.279 1.014 ( -0.558 -4.237 -1.759) 4.622 1.014 ( -0.558 4.237 -1.759) 4.622 1.033 ( 0.077 -2.246 -2.521) 3.377 1.033 ( 0.077 2.246 -2.521) 3.377 1.103 ( 1.012 -3.254 1.365) 3.671 1.103 ( 1.012 3.254 1.365) 3.671 1.230 ( 2.236 -4.154 -0.778) 4.781 1.230 ( 2.236 4.154 -0.778) 4.781 1.434 ( -1.160 -6.303 -1.221) 6.524 1.434 ( -1.160 6.303 -1.221) 6.524 1.607 ( 2.057 -4.363 6.178) 7.838 1.607 ( 2.057 4.363 6.178) 7.838 1.699 ( 3.821 -0.734 0.622) 3.940 1.699 ( 3.821 0.734 0.622) 3.940 1.874 ( -0.586 -1.958 -2.263) 3.049 1.874 ( -0.586 1.958 -2.263) 3.049 2.051 ( 1.557 -1.876 -3.845) 4.553 2.051 ( 1.557 1.876 -3.845) 4.553 2.406 ( -0.816 -5.822 -4.079) 7.156 2.406 ( -0.816 5.822 -4.079) 7.156 2.607 ( 1.567 -2.007 3.265) 4.140 2.607 ( 1.567 2.007 3.265) 4.140 2.760 ( -1.104 -2.764 3.466) 4.568 2.760 ( -1.104 2.764 3.466) 4.568 2.862 ( -0.867 -0.778 1.788) 2.134 2.862 ( -0.867 0.778 1.788) 2.134 2.973 ( -0.387 -1.212 -2.342) 2.666 2.973 ( -0.387 1.212 -2.342) 2.666 3.056 ( 0.898 -1.558 -0.176) 1.807 3.056 ( 0.898 1.558 -0.176) 1.807 3.200 ( 1.839 -0.571 0.579) 2.010 3.200 ( 1.839 0.571 0.579) 2.010 3.434 ( -1.193 -0.462 -0.574) 1.402 3.434 ( -1.193 0.462 -0.574) 1.402 3.980 ( -3.072 -0.728 -0.077) 3.159 3.980 ( -3.072 0.728 -0.077) 3.159 4.276 ( 1.228 -0.620 -0.355) 1.421 4.276 ( 1.228 0.620 -0.355) 1.421 4.885 ( -0.137 -0.308 0.497) 0.600 4.885 ( -0.137 0.308 0.497) 0.600 4.939 ( -0.173 -0.879 0.886) 1.260 4.939 ( -0.173 0.879 0.886) 1.260 5.015 ( 0.111 -0.952 -1.342) 1.649 5.015 ( 0.111 0.952 -1.342) 1.649 5.101 ( 0.117 -0.654 0.088) 0.671 5.101 ( 0.117 0.654 0.088) 0.671 5.230 ( -0.098 -1.012 -0.087) 1.021 5.230 ( -0.098 1.012 -0.087) 1.021 5.568 ( -0.031 -0.431 -0.015) 0.433 5.568 ( -0.031 0.431 -0.015) 0.433 9.278 ( -0.014 -0.281 -0.093) 0.296 9.278 ( -0.014 0.281 -0.093) 0.296 9.397 ( 0.076 -0.408 -0.119) 0.432 9.397 ( 0.076 0.408 -0.119) 0.432 9.958 ( 0.014 -0.238 0.207) 0.316 9.958 ( 0.014 0.238 0.207) 0.316 10.074 ( 0.071 -0.543 0.085) 0.554 10.074 ( 0.071 0.543 0.085) 0.554 10.387 ( -1.528 -0.251 0.201) 1.561 10.387 ( -1.528 0.251 0.201) 1.561 10.512 ( -0.148 -0.571 -0.126) 0.603 10.512 ( -0.148 0.571 -0.126) 0.603 10.564 ( 0.798 -0.466 -0.127) 0.933 10.564 ( 0.798 0.466 -0.127) 0.933 10.627 ( 0.630 -1.294 0.010) 1.439 10.627 ( 0.630 1.294 0.010) 1.439 ======================= Grid point 97 (50/70) ======================= q-point: (-0.17 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -5.609 -3.056 7.083) 9.538 0.549 ( -5.609 3.056 7.083) 9.538 0.689 ( -0.615 -3.968 -0.123) 4.017 0.689 ( -0.615 3.968 -0.123) 4.017 0.898 ( -1.403 -2.136 -2.483) 3.563 0.898 ( -1.403 2.136 -2.483) 3.563 0.977 ( -1.872 -3.287 -1.740) 4.164 0.977 ( -1.872 3.287 -1.740) 4.164 1.038 ( 0.563 -0.442 -1.419) 1.589 1.038 ( 0.563 0.442 -1.419) 1.589 1.147 ( 2.012 -2.683 3.505) 4.851 1.147 ( 2.012 2.683 3.505) 4.851 1.273 ( 2.029 -2.505 -0.374) 3.245 1.273 ( 2.029 2.505 -0.374) 3.245 1.444 ( 2.110 -4.456 -1.888) 5.280 1.444 ( 2.110 4.456 -1.888) 5.280 1.598 ( -1.936 -2.751 1.725) 3.781 1.598 ( -1.936 2.751 1.725) 3.781 1.818 ( 5.259 -4.090 2.682) 7.181 1.818 ( 5.259 4.090 2.682) 7.181 1.860 ( 0.292 -0.382 -2.316) 2.365 1.860 ( 0.292 0.382 -2.316) 2.365 2.068 ( 0.614 -4.234 -0.478) 4.305 2.068 ( 0.614 4.234 -0.478) 4.305 2.379 ( -1.121 -5.010 -4.149) 6.601 2.379 ( -1.121 5.010 -4.149) 6.601 2.640 ( 1.173 -1.922 2.255) 3.186 2.640 ( 1.173 1.922 2.255) 3.186 2.730 ( -2.009 -3.414 -0.013) 3.962 2.730 ( -2.009 3.414 -0.013) 3.962 2.859 ( -0.526 -1.446 1.189) 1.945 2.859 ( -0.526 1.446 1.189) 1.945 2.956 ( 0.085 -1.537 -1.001) 1.836 2.956 ( 0.085 1.537 -1.001) 1.836 3.084 ( 1.569 -2.170 -0.344) 2.700 3.084 ( 1.569 2.170 -0.344) 2.700 3.237 ( 1.404 -0.073 2.091) 2.520 3.237 ( 1.404 0.073 2.091) 2.520 3.407 ( -1.216 -0.405 -0.740) 1.480 3.407 ( -1.216 0.405 -0.740) 1.480 3.916 ( -3.079 -0.653 -0.156) 3.151 3.916 ( -3.079 0.653 -0.156) 3.151 4.298 ( 0.944 -0.324 -0.280) 1.036 4.298 ( 0.944 0.324 -0.280) 1.036 4.884 ( -0.118 -0.351 0.530) 0.646 4.884 ( -0.118 0.351 0.530) 0.646 4.936 ( -0.180 -1.085 0.779) 1.348 4.936 ( -0.180 1.085 0.779) 1.348 5.015 ( 0.152 -0.886 -1.234) 1.527 5.015 ( 0.152 0.886 -1.234) 1.527 5.103 ( 0.054 -0.529 0.096) 0.540 5.103 ( 0.054 0.529 0.096) 0.540 5.228 ( -0.103 -0.964 -0.151) 0.981 5.228 ( -0.103 0.964 -0.151) 0.981 5.567 ( 0.005 -0.301 0.031) 0.303 5.567 ( 0.005 0.301 0.031) 0.303 9.277 ( -0.051 -0.335 -0.140) 0.367 9.277 ( -0.051 0.335 -0.140) 0.367 9.399 ( 0.130 -0.555 -0.030) 0.571 9.399 ( 0.130 0.555 -0.030) 0.571 9.959 ( 0.021 -0.283 0.246) 0.376 9.959 ( 0.021 0.283 0.246) 0.376 10.076 ( 0.079 -0.594 0.094) 0.606 10.076 ( 0.079 0.594 0.094) 0.606 10.356 ( -1.426 -0.368 -0.050) 1.473 10.356 ( -1.426 0.368 -0.050) 1.473 10.508 ( -0.179 -0.485 -0.201) 0.555 10.508 ( -0.179 0.485 -0.201) 0.555 10.576 ( 0.451 -0.434 -0.228) 0.666 10.576 ( 0.451 0.434 -0.228) 0.666 10.644 ( 0.883 -1.280 0.337) 1.591 10.644 ( 0.883 1.280 0.337) 1.591 ======================= Grid point 117 (51/70) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -1.378 0.000 -3.896) 4.133 0.419 ( 1.378 0.000 3.896) 4.133 0.434 ( 2.508 0.000 -2.883) 3.821 0.434 ( -2.508 0.000 2.883) 3.821 0.826 ( -0.683 0.000 -2.582) 2.671 0.826 ( 0.683 0.000 2.582) 2.671 0.933 ( 2.566 0.000 -2.237) 3.404 0.933 ( -2.566 0.000 2.237) 3.404 1.052 ( 1.347 0.000 -11.702) 11.779 1.052 ( -1.347 0.000 11.702) 11.779 1.118 ( -1.605 0.000 -0.756) 1.775 1.118 ( 1.605 0.000 0.756) 1.775 1.346 ( 3.397 0.000 -1.320) 3.645 1.346 ( -3.397 0.000 1.320) 3.645 1.539 ( 5.174 0.000 -4.242) 6.691 1.539 ( -5.174 0.000 4.242) 6.691 1.696 ( -2.086 0.000 -2.479) 3.239 1.696 ( 2.086 0.000 2.479) 3.239 1.776 ( 2.374 0.000 -1.704) 2.922 1.776 ( -2.374 0.000 1.704) 2.922 2.082 ( -4.286 0.000 1.317) 4.484 2.082 ( 4.286 0.000 -1.317) 4.484 2.260 ( -4.123 0.000 -1.725) 4.469 2.260 ( 4.123 0.000 1.725) 4.469 2.339 ( -0.353 0.000 -1.665) 1.702 2.339 ( 0.353 0.000 1.665) 1.702 2.603 ( 1.374 0.000 -1.715) 2.198 2.603 ( -1.374 0.000 1.715) 2.198 2.728 ( -2.020 0.000 -1.108) 2.304 2.728 ( 2.020 0.000 1.108) 2.304 2.837 ( -4.329 0.000 -0.470) 4.354 2.837 ( 4.329 0.000 0.470) 4.354 2.912 ( 4.603 0.000 -3.857) 6.006 2.912 ( -4.603 0.000 3.857) 6.006 3.085 ( -1.497 0.000 -2.627) 3.024 3.085 ( 1.497 0.000 2.627) 3.024 3.163 ( -4.410 0.000 -3.294) 5.504 3.163 ( 4.410 0.000 3.294) 5.504 3.401 ( -1.024 0.000 -4.060) 4.187 3.401 ( 1.024 0.000 4.060) 4.187 3.874 ( -0.638 0.000 -0.540) 0.836 3.874 ( 0.638 0.000 0.540) 0.836 4.225 ( 0.018 0.000 -1.264) 1.264 4.225 ( -0.018 0.000 1.264) 1.264 4.857 ( -0.256 0.000 -1.399) 1.422 4.857 ( 0.256 0.000 1.399) 1.422 4.957 ( 0.411 0.000 -0.204) 0.459 4.957 ( -0.411 0.000 0.204) 0.459 5.031 ( -0.266 0.000 -2.881) 2.894 5.031 ( 0.266 0.000 2.881) 2.894 5.114 ( 0.089 0.000 -1.341) 1.344 5.114 ( -0.089 0.000 1.341) 1.344 5.246 ( -0.923 0.000 -2.357) 2.531 5.246 ( 0.923 0.000 2.357) 2.531 5.582 ( 0.756 0.000 -1.272) 1.480 5.582 ( -0.756 0.000 1.272) 1.480 9.278 ( -0.227 0.000 -0.540) 0.586 9.278 ( 0.227 0.000 0.540) 0.586 9.399 ( -0.486 0.000 -0.059) 0.489 9.399 ( 0.486 0.000 0.059) 0.489 9.960 ( -0.149 0.000 -0.247) 0.289 9.960 ( 0.149 0.000 0.247) 0.289 10.073 ( 0.230 0.000 -1.181) 1.203 10.073 ( -0.230 0.000 1.181) 1.203 10.300 ( -0.246 0.000 -0.079) 0.259 10.300 ( 0.246 0.000 0.079) 0.259 10.492 ( -0.057 0.000 -2.184) 2.184 10.492 ( 0.057 0.000 2.184) 2.184 10.543 ( -0.034 0.000 -1.296) 1.297 10.543 ( 0.034 0.000 1.296) 1.297 10.777 ( 0.060 0.000 -0.828) 0.830 10.777 ( -0.060 0.000 0.828) 0.830 ======================= Grid point 119 (52/70) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( 4.089 0.000 -6.435) 7.624 0.497 ( 5.252 0.000 7.692) 9.314 0.499 ( 7.410 0.000 5.183) 9.043 0.568 ( 10.605 0.000 -7.211) 12.824 0.818 ( 1.198 0.000 -9.153) 9.231 0.833 ( -2.906 0.000 4.579) 5.423 0.882 ( -0.061 0.000 -1.080) 1.082 0.952 ( 0.579 0.000 -1.509) 1.616 1.047 ( -4.954 0.000 1.406) 5.149 1.066 ( 0.155 0.000 5.967) 5.969 1.081 ( 1.182 0.000 -8.652) 8.732 1.138 ( -0.062 0.000 7.272) 7.273 1.270 ( -4.432 0.000 1.877) 4.813 1.375 ( -0.512 0.000 -0.894) 1.031 1.481 ( -0.696 0.000 2.683) 2.771 1.609 ( 3.052 0.000 -9.687) 10.156 1.661 ( -0.854 0.000 -1.623) 1.834 1.727 ( 0.648 0.000 1.109) 1.284 1.767 ( 0.614 0.000 5.680) 5.713 1.828 ( 2.364 0.000 2.733) 3.613 1.967 ( -6.312 0.000 0.309) 6.320 2.076 ( -4.016 0.000 -2.178) 4.569 2.218 ( -0.270 0.000 -1.200) 1.230 2.323 ( 0.116 0.000 0.510) 0.523 2.362 ( 4.020 0.000 2.252) 4.607 2.372 ( 2.853 0.000 2.659) 3.900 2.578 ( -1.388 0.000 0.503) 1.476 2.619 ( 0.500 0.000 -1.808) 1.876 2.683 ( -2.226 0.000 -0.113) 2.229 2.707 ( -3.914 0.000 -1.085) 4.061 2.816 ( -1.535 0.000 4.381) 4.642 2.827 ( -1.110 0.000 3.875) 4.031 2.915 ( 2.937 0.000 0.909) 3.075 2.923 ( -3.365 0.000 -2.901) 4.443 3.069 ( -2.985 0.000 -1.517) 3.348 3.111 ( -0.087 0.000 0.258) 0.272 3.112 ( 4.769 0.000 -5.985) 7.653 3.213 ( 0.391 0.000 2.734) 2.761 3.378 ( 0.095 0.000 -4.425) 4.426 3.393 ( -2.535 0.000 2.138) 3.316 3.900 ( 2.974 0.000 -0.926) 3.114 3.927 ( 3.925 0.000 2.106) 4.454 4.219 ( -0.232 0.000 -1.719) 1.734 4.222 ( -0.532 0.000 1.766) 1.844 4.854 ( 0.136 0.000 -1.005) 1.014 4.866 ( 0.310 0.000 1.437) 1.470 4.953 ( 0.054 0.000 0.196) 0.203 4.966 ( 0.626 0.000 -0.659) 0.909 5.018 ( -0.479 0.000 -2.369) 2.417 5.034 ( -0.599 0.000 2.830) 2.893 5.114 ( 0.156 0.000 -1.447) 1.455 5.115 ( -0.078 0.000 1.413) 1.415 5.229 ( -0.070 0.000 -2.257) 2.258 5.262 ( 0.235 0.000 2.293) 2.305 5.575 ( -0.121 0.000 0.874) 0.882 5.593 ( 0.604 0.000 -2.094) 2.180 9.274 ( -0.041 0.000 -0.560) 0.561 9.282 ( 0.034 0.000 0.529) 0.530 9.386 ( -0.604 0.000 0.024) 0.605 9.400 ( -0.331 0.000 -0.123) 0.353 9.956 ( -0.169 0.000 -0.241) 0.294 9.961 ( -0.059 0.000 0.213) 0.221 10.073 ( -0.079 0.000 1.142) 1.145 10.076 ( 0.212 0.000 -1.244) 1.262 10.328 ( 2.850 0.000 0.537) 2.900 10.333 ( 2.843 0.000 -0.370) 2.867 10.488 ( 0.083 0.000 -2.577) 2.579 10.499 ( 0.229 0.000 2.390) 2.401 10.540 ( 0.000 0.000 -1.912) 1.912 10.548 ( 0.190 0.000 1.503) 1.515 10.746 ( -2.693 0.000 -2.037) 3.376 10.748 ( -2.862 0.000 1.589) 3.273 ======================= Grid point 120 (53/70) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 7.151 0.000 -4.011) 8.199 0.625 ( 6.185 0.000 5.474) 8.259 0.669 ( 7.920 0.000 3.680) 8.733 0.697 ( 3.234 0.000 -12.961) 13.359 0.766 ( -3.225 0.000 7.550) 8.209 0.896 ( 4.717 0.000 -6.265) 7.843 0.903 ( 0.415 0.000 -1.207) 1.276 0.904 ( -3.432 0.000 1.954) 3.949 0.961 ( -0.915 0.000 1.629) 1.869 1.047 ( -2.019 0.000 -0.863) 2.196 1.073 ( -1.192 0.000 -7.766) 7.857 1.156 ( -0.063 0.000 8.885) 8.885 1.214 ( -0.989 0.000 1.568) 1.854 1.315 ( -5.597 0.000 1.261) 5.737 1.514 ( 2.998 0.000 1.695) 3.444 1.634 ( 0.328 0.000 -3.909) 3.922 1.673 ( 3.831 0.000 -6.980) 7.962 1.724 ( -1.105 0.000 1.489) 1.854 1.740 ( -4.322 0.000 1.473) 4.566 1.847 ( -1.965 0.000 4.066) 4.516 1.924 ( 1.474 0.000 3.173) 3.498 1.989 ( -3.211 0.000 -1.171) 3.417 2.219 ( 0.644 0.000 -1.261) 1.416 2.300 ( -2.472 0.000 0.399) 2.504 2.439 ( 2.735 0.000 3.679) 4.584 2.446 ( 3.974 0.000 0.758) 4.045 2.554 ( -0.872 0.000 -0.080) 0.876 2.614 ( -0.118 0.000 -2.434) 2.437 2.652 ( -1.048 0.000 1.165) 1.567 2.656 ( -1.033 0.000 -0.565) 1.178 2.732 ( -4.620 0.000 5.781) 7.400 2.820 ( -5.179 0.000 -6.651) 8.430 2.892 ( 3.507 0.000 1.662) 3.881 2.953 ( 0.688 0.000 -0.216) 0.721 3.030 ( -0.881 0.000 0.516) 1.021 3.074 ( -2.863 0.000 -0.682) 2.943 3.217 ( 5.804 0.000 -2.414) 6.286 3.232 ( 1.394 0.000 2.162) 2.572 3.333 ( -3.385 0.000 0.291) 3.398 3.367 ( -1.168 0.000 -2.568) 2.821 3.961 ( 3.232 0.000 -1.209) 3.451 3.994 ( 2.056 0.000 2.079) 2.924 4.212 ( -0.110 0.000 -2.813) 2.815 4.213 ( -0.812 0.000 3.079) 3.185 4.858 ( 0.412 0.000 -0.646) 0.766 4.870 ( -0.157 0.000 0.938) 0.951 4.962 ( 0.765 0.000 0.732) 1.059 4.978 ( 0.791 0.000 -1.043) 1.309 5.004 ( -0.589 0.000 -2.047) 2.130 5.020 ( -1.258 0.000 2.248) 2.576 5.115 ( 0.236 0.000 -1.621) 1.638 5.116 ( -0.117 0.000 1.608) 1.612 5.235 ( 0.911 0.000 -1.961) 2.162 5.262 ( -0.606 0.000 2.281) 2.360 5.580 ( 0.348 0.000 1.442) 1.483 5.596 ( 0.104 0.000 -2.318) 2.321 9.275 ( 0.205 0.000 -0.495) 0.536 9.281 ( -0.174 0.000 0.567) 0.593 9.380 ( -0.094 0.000 0.043) 0.103 9.390 ( -0.520 0.000 -0.264) 0.583 9.954 ( 0.030 0.000 -0.245) 0.246 9.959 ( -0.181 0.000 0.217) 0.282 10.074 ( -0.025 0.000 1.187) 1.187 10.076 ( 0.109 0.000 -1.233) 1.238 10.390 ( 2.975 0.000 1.474) 3.320 10.391 ( 3.048 0.000 -0.527) 3.093 10.483 ( -0.098 0.000 -3.082) 3.084 10.501 ( -0.914 0.000 2.942) 3.081 10.543 ( 1.047 0.000 -3.019) 3.196 10.557 ( 0.388 0.000 2.003) 2.041 10.687 ( -2.544 0.000 -3.214) 4.099 10.691 ( -3.201 0.000 2.736) 4.211 ======================= Grid point 121 (54/70) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -4.876 0.000 0.576) 4.910 0.668 ( 4.876 0.000 -0.576) 4.910 0.710 ( 1.281 0.000 -10.467) 10.545 0.710 ( -1.281 0.000 10.467) 10.545 0.800 ( 1.303 0.000 -3.335) 3.580 0.800 ( -1.303 0.000 3.335) 3.580 0.906 ( -2.994 0.000 -2.731) 4.052 0.906 ( 2.994 0.000 2.731) 4.052 1.026 ( -0.636 0.000 -0.759) 0.990 1.026 ( 0.636 0.000 0.759) 0.990 1.106 ( 7.518 0.000 -4.758) 8.897 1.106 ( -7.518 0.000 4.758) 8.897 1.227 ( 2.310 0.000 -2.873) 3.687 1.227 ( -2.310 0.000 2.873) 3.687 1.586 ( -4.113 0.000 -1.420) 4.351 1.586 ( 4.113 0.000 1.420) 4.351 1.703 ( 0.823 0.000 -0.695) 1.077 1.703 ( -0.823 0.000 0.695) 1.077 1.767 ( 6.192 0.000 -6.481) 8.963 1.767 ( -6.192 0.000 6.481) 8.963 1.960 ( -0.969 0.000 -2.147) 2.355 1.960 ( 0.969 0.000 2.147) 2.355 2.246 ( 2.593 0.000 -0.882) 2.739 2.246 ( -2.593 0.000 0.882) 2.739 2.476 ( -0.575 0.000 -4.046) 4.087 2.476 ( 0.575 0.000 4.046) 4.087 2.584 ( -3.116 0.000 -4.634) 5.584 2.584 ( 3.116 0.000 4.634) 5.584 2.644 ( 0.021 0.000 -0.093) 0.095 2.644 ( -0.021 0.000 0.093) 0.095 2.724 ( -2.919 0.000 -6.734) 7.339 2.724 ( 2.919 0.000 6.734) 7.339 2.945 ( -1.527 0.000 -0.945) 1.796 2.945 ( 1.527 0.000 0.945) 1.796 3.031 ( -1.040 0.000 -1.026) 1.461 3.031 ( 1.040 0.000 1.026) 1.461 3.267 ( -1.701 0.000 -1.608) 2.341 3.267 ( 1.701 0.000 1.608) 2.341 3.319 ( -3.266 0.000 -0.618) 3.324 3.319 ( 3.266 0.000 0.618) 3.324 4.004 ( 1.193 0.000 -1.126) 1.641 4.004 ( -1.193 0.000 1.126) 1.641 4.207 ( 0.376 0.000 -3.715) 3.734 4.207 ( -0.376 0.000 3.715) 3.734 4.865 ( 0.444 0.000 -0.575) 0.726 4.865 ( -0.444 0.000 0.575) 0.726 4.980 ( -0.755 0.000 -1.001) 1.254 4.980 ( 0.755 0.000 1.001) 1.254 5.001 ( 1.005 0.000 -2.112) 2.339 5.001 ( -1.005 0.000 2.112) 2.339 5.116 ( 0.213 0.000 -1.704) 1.718 5.116 ( -0.213 0.000 1.704) 1.718 5.251 ( 1.001 0.000 -2.112) 2.337 5.251 ( -1.001 0.000 2.112) 2.337 5.590 ( -0.261 0.000 -2.052) 2.069 5.590 ( 0.261 0.000 2.052) 2.069 9.278 ( 0.235 0.000 -0.522) 0.573 9.278 ( -0.235 0.000 0.522) 0.573 9.382 ( -0.282 0.000 -0.136) 0.313 9.382 ( 0.282 0.000 0.136) 0.313 9.956 ( 0.184 0.000 -0.242) 0.304 9.956 ( -0.184 0.000 0.242) 0.304 10.076 ( 0.046 0.000 -1.216) 1.217 10.076 ( -0.046 0.000 1.216) 1.217 10.426 ( 0.011 0.000 -0.973) 0.973 10.426 ( -0.011 0.000 0.973) 0.973 10.481 ( 1.021 0.000 -2.983) 3.153 10.481 ( -1.021 0.000 2.983) 3.153 10.561 ( 0.783 0.000 -2.557) 2.674 10.561 ( -0.783 0.000 2.557) 2.674 10.656 ( 0.433 0.000 -3.243) 3.272 10.656 ( -0.433 0.000 3.243) 3.272 ======================= Grid point 125 (55/70) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -0.601 2.575 -7.394) 7.853 0.437 ( 0.601 2.575 7.394) 7.853 0.557 ( 2.541 9.223 -7.332) 12.053 0.557 ( -2.541 9.223 7.332) 12.053 0.828 ( 0.671 -0.022 -5.148) 5.192 0.828 ( -0.671 -0.022 5.148) 5.192 0.925 ( 0.221 -0.495 -1.482) 1.578 0.925 ( -0.221 -0.495 1.482) 1.578 1.049 ( 0.978 -0.207 -7.381) 7.449 1.049 ( -0.978 -0.207 7.381) 7.449 1.114 ( -1.612 -0.373 -3.434) 3.812 1.114 ( 1.612 -0.373 3.434) 3.812 1.331 ( 0.207 -0.830 -1.719) 1.920 1.331 ( -0.207 -0.830 1.719) 1.920 1.549 ( 2.432 0.230 -5.418) 5.944 1.549 ( -2.432 0.230 5.418) 5.944 1.683 ( -1.708 -1.566 -3.572) 4.258 1.683 ( 1.708 -1.566 3.572) 4.258 1.802 ( 0.682 2.292 -4.420) 5.026 1.802 ( -0.682 2.292 4.420) 5.026 2.062 ( -1.918 -2.352 -1.621) 3.441 2.062 ( 1.918 -2.352 1.621) 3.441 2.189 ( 0.368 -6.030 -0.500) 6.061 2.189 ( -0.368 -6.030 0.500) 6.061 2.324 ( -1.171 0.254 -2.493) 2.767 2.324 ( 1.171 0.254 2.493) 2.767 2.609 ( 0.620 -0.845 -2.515) 2.725 2.609 ( -0.620 -0.845 2.515) 2.725 2.726 ( -1.958 -0.043 -1.676) 2.577 2.726 ( 1.958 -0.043 1.676) 2.577 2.846 ( -3.117 0.558 -1.032) 3.330 2.846 ( 3.117 0.558 1.032) 3.330 2.950 ( -2.112 3.328 -1.216) 4.125 2.950 ( 2.112 3.328 1.216) 4.125 3.097 ( -1.101 0.362 -2.864) 3.089 3.097 ( 1.101 0.362 2.864) 3.089 3.159 ( -1.992 0.514 -4.470) 4.921 3.159 ( 1.992 0.514 4.470) 4.921 3.393 ( -1.151 -0.596 -2.844) 3.126 3.393 ( 1.151 -0.596 2.844) 3.126 3.877 ( -0.949 0.223 -0.422) 1.062 3.877 ( 0.949 0.223 0.422) 1.062 4.237 ( 0.017 1.179 -1.002) 1.548 4.237 ( -0.017 1.179 1.002) 1.548 4.861 ( -0.217 0.360 -1.214) 1.284 4.861 ( 0.217 0.360 1.214) 1.284 4.960 ( 0.468 0.318 -0.360) 0.670 4.960 ( -0.468 0.318 0.360) 0.670 5.022 ( -0.087 -0.822 -2.885) 3.002 5.022 ( 0.087 -0.822 2.885) 3.002 5.112 ( 0.074 -0.157 -1.154) 1.167 5.112 ( -0.074 -0.157 1.154) 1.167 5.242 ( -0.697 -0.337 -2.319) 2.445 5.242 ( 0.697 -0.337 2.319) 2.445 5.580 ( 0.604 -0.212 -1.061) 1.239 5.580 ( -0.604 -0.212 1.061) 1.239 9.272 ( -0.061 -0.421 -0.534) 0.682 9.272 ( 0.061 -0.421 0.534) 0.682 9.397 ( -0.643 -0.036 -0.107) 0.653 9.397 ( 0.643 -0.036 0.107) 0.653 9.956 ( -0.157 -0.294 -0.332) 0.471 9.956 ( 0.157 -0.294 0.332) 0.471 10.076 ( 0.187 0.140 -1.112) 1.136 10.076 ( -0.187 0.140 1.112) 1.136 10.349 ( -0.524 4.006 -0.411) 4.061 10.349 ( 0.524 4.006 0.411) 4.061 10.490 ( 0.049 -0.147 -2.367) 2.372 10.490 ( -0.049 -0.147 2.367) 2.372 10.533 ( 0.154 -0.929 -1.687) 1.932 10.533 ( -0.154 -0.929 1.687) 1.932 10.746 ( 0.590 -2.657 -1.911) 3.326 10.746 ( -0.590 -2.657 1.911) 3.326 ======================= Grid point 127 (56/70) ======================= q-point: ( 0.17 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( 4.491 2.246 -6.676) 8.353 0.514 ( 4.216 2.715 5.146) 7.185 0.560 ( 5.029 5.381 3.739) 8.260 0.666 ( 6.363 6.509 -5.300) 10.533 0.834 ( -0.654 0.956 3.868) 4.038 0.849 ( 0.417 2.144 -2.477) 3.302 0.872 ( 1.435 -0.767 -2.605) 3.072 0.949 ( -0.071 -0.586 -0.498) 0.772 1.000 ( -4.513 -2.245 1.798) 5.352 1.084 ( 1.908 0.481 -9.726) 9.923 1.086 ( -0.258 0.431 4.411) 4.440 1.140 ( -0.423 0.243 5.372) 5.394 1.264 ( -4.658 -0.254 1.705) 4.966 1.334 ( -0.674 -3.203 0.926) 3.402 1.525 ( -1.303 3.266 2.181) 4.138 1.596 ( 2.974 -1.484 -6.041) 6.895 1.654 ( 0.182 -0.723 -2.722) 2.823 1.710 ( 0.522 -1.656 0.987) 1.997 1.811 ( -0.247 3.547 5.053) 6.179 1.821 ( 1.383 -1.467 -0.950) 2.228 1.956 ( -5.168 -0.796 -0.464) 5.249 2.075 ( -3.116 -0.788 -2.196) 3.893 2.154 ( -1.736 -5.459 0.292) 5.736 2.200 ( 0.605 -9.079 0.895) 9.143 2.336 ( 2.192 -1.054 0.115) 2.435 2.380 ( 3.115 0.481 4.814) 5.755 2.594 ( -0.272 -0.734 0.342) 0.855 2.634 ( 0.703 -0.015 -1.090) 1.297 2.676 ( -2.632 0.884 -1.577) 3.193 2.734 ( -1.899 1.348 2.157) 3.174 2.809 ( 1.186 -0.712 0.978) 1.694 2.856 ( -5.559 3.650 1.127) 6.745 2.921 ( 2.985 0.409 0.622) 3.077 2.941 ( -3.367 1.536 -1.402) 3.958 3.079 ( -2.141 0.335 -1.190) 2.472 3.116 ( 3.372 0.365 -2.289) 4.092 3.130 ( -1.110 1.078 0.051) 1.548 3.220 ( 2.930 1.554 0.815) 3.415 3.359 ( -1.509 -1.212 -2.588) 3.232 3.399 ( -0.976 0.235 0.944) 1.378 3.896 ( 2.692 -0.193 -0.438) 2.735 3.930 ( 3.782 0.096 1.283) 3.995 4.229 ( -0.590 0.962 -0.303) 1.168 4.236 ( -0.364 1.222 0.353) 1.323 4.858 ( 0.130 0.437 -0.902) 1.011 4.869 ( 0.310 0.264 1.259) 1.323 4.954 ( -0.167 0.087 0.225) 0.294 4.971 ( 0.685 0.406 -0.655) 1.031 5.011 ( -0.540 -0.789 -1.562) 1.832 5.027 ( -0.234 -0.623 1.804) 1.923 5.112 ( 0.141 -0.155 -1.218) 1.236 5.114 ( -0.044 -0.129 1.255) 1.262 5.229 ( -0.031 -0.039 -2.009) 2.010 5.256 ( 0.241 -0.549 2.281) 2.358 5.574 ( -0.130 -0.123 0.728) 0.750 5.589 ( 0.495 -0.390 -1.673) 1.788 9.271 ( 0.071 -0.191 -0.370) 0.423 9.274 ( 0.051 -0.508 0.573) 0.767 9.386 ( -0.386 0.101 -0.181) 0.439 9.405 ( 0.028 0.253 -0.098) 0.273 9.951 ( -0.078 -0.362 -0.030) 0.371 9.962 ( 0.182 0.020 0.022) 0.185 10.074 ( -0.114 0.059 0.721) 0.732 10.078 ( 0.139 0.171 -0.699) 0.733 10.347 ( 1.030 2.824 0.109) 3.007 10.385 ( 2.199 2.987 0.007) 3.709 10.488 ( 0.111 0.046 -1.936) 1.939 10.497 ( 0.202 -0.258 1.847) 1.876 10.529 ( 0.075 -0.826 -0.320) 0.889 10.542 ( 0.590 -0.576 -0.008) 0.825 10.714 ( -2.475 -2.238 1.063) 3.502 10.732 ( -1.842 -1.939 -1.423) 3.030 ======================= Grid point 128 (57/70) ======================= q-point: ( 0.33 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 6.857 1.929 -6.274) 9.493 0.623 ( 6.520 -0.148 5.571) 8.577 0.706 ( 7.038 3.134 1.541) 7.857 0.723 ( 1.753 2.904 -10.679) 11.205 0.776 ( -3.183 0.904 6.804) 7.566 0.870 ( -6.327 -2.936 3.936) 8.009 0.894 ( -0.217 0.834 -1.080) 1.381 0.950 ( 1.364 0.700 3.752) 4.054 0.971 ( 5.810 3.492 -4.979) 8.411 1.057 ( -2.581 0.418 -1.392) 2.962 1.074 ( -2.127 0.192 -7.048) 7.364 1.139 ( -0.860 -1.491 5.342) 5.612 1.207 ( -0.332 -0.095 1.608) 1.645 1.312 ( -2.872 -1.472 1.676) 3.636 1.514 ( 0.750 0.772 1.778) 2.079 1.627 ( 0.683 -0.872 -4.116) 4.263 1.691 ( 3.540 0.499 -2.674) 4.465 1.713 ( -0.202 -0.172 -1.021) 1.055 1.745 ( -4.708 -0.120 1.467) 4.933 1.844 ( -0.322 -0.777 0.886) 1.222 1.927 ( 0.895 0.555 2.501) 2.714 1.988 ( -4.168 -0.018 -0.649) 4.218 2.134 ( -0.249 -7.916 0.107) 7.921 2.195 ( -1.634 -8.978 0.091) 9.126 2.393 ( 3.558 -2.790 -1.249) 4.691 2.435 ( 1.333 -0.298 5.966) 6.120 2.593 ( -0.193 0.899 -0.001) 0.919 2.607 ( -1.908 -0.395 -0.149) 1.954 2.657 ( 0.561 2.524 -1.955) 3.241 2.715 ( -0.001 2.501 3.045) 3.940 2.753 ( -5.100 3.288 0.590) 6.096 2.817 ( -2.213 -0.024 -3.266) 3.945 2.906 ( 1.690 1.191 -0.011) 2.068 2.958 ( 0.809 0.386 -0.090) 0.901 3.044 ( -1.114 0.714 -0.112) 1.328 3.082 ( -2.955 0.584 0.627) 3.076 3.194 ( 4.128 -1.209 -0.272) 4.310 3.273 ( 2.764 3.136 -0.405) 4.200 3.318 ( -2.379 -1.494 -2.011) 3.455 3.373 ( -1.863 0.798 0.210) 2.038 3.957 ( 3.281 -0.290 -0.638) 3.355 3.994 ( 2.099 -0.021 1.307) 2.473 4.217 ( -0.507 0.676 0.194) 0.866 4.226 ( -0.616 1.095 -0.008) 1.256 4.862 ( 0.393 0.436 -0.602) 0.841 4.874 ( -0.100 0.325 0.857) 0.922 4.958 ( 0.526 -0.339 0.470) 0.782 4.982 ( 0.409 0.094 -0.670) 0.790 4.998 ( -0.330 -0.415 -1.263) 1.370 5.020 ( -0.797 -0.098 1.247) 1.483 5.114 ( 0.245 -0.117 -1.409) 1.435 5.115 ( -0.074 -0.086 1.466) 1.471 5.233 ( 0.756 -0.155 -1.761) 1.922 5.257 ( -0.537 -0.500 2.142) 2.264 5.578 ( 0.292 -0.233 1.160) 1.219 5.591 ( 0.081 -0.431 -1.887) 1.937 9.273 ( 0.189 -0.091 -0.337) 0.397 9.276 ( -0.019 -0.365 0.570) 0.677 9.384 ( 0.122 0.343 -0.119) 0.383 9.399 ( -0.508 0.581 -0.184) 0.794 9.953 ( 0.260 -0.093 -0.001) 0.276 9.962 ( -0.123 0.236 -0.003) 0.267 10.074 ( 0.010 0.010 0.708) 0.708 10.078 ( 0.019 0.125 -0.682) 0.694 10.381 ( 2.190 0.687 0.199) 2.304 10.419 ( 1.066 0.590 0.116) 1.224 10.487 ( 0.147 0.609 -1.330) 1.470 10.499 ( -0.334 -0.063 1.268) 1.313 10.539 ( 1.094 -0.323 -0.516) 1.252 10.554 ( 0.666 -0.243 0.092) 0.715 10.669 ( -2.124 -1.201 0.630) 2.520 10.684 ( -2.586 -1.009 -1.022) 2.958 ======================= Grid point 129 (58/70) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 6.458 -0.581 -3.958) 7.597 0.685 ( -6.458 -0.581 3.958) 7.597 0.723 ( -0.113 2.541 -10.246) 10.557 0.723 ( 0.113 2.541 10.246) 10.557 0.795 ( -3.632 0.344 -3.677) 5.180 0.795 ( 3.632 0.344 3.677) 5.180 0.912 ( -4.664 1.504 -1.623) 5.162 0.912 ( 4.664 1.504 1.623) 5.162 1.023 ( -0.010 -0.562 -1.631) 1.725 1.023 ( 0.010 -0.562 1.631) 1.725 1.103 ( 0.042 -0.841 -4.793) 4.866 1.103 ( -0.042 -0.841 4.793) 4.866 1.241 ( 1.723 1.190 -2.261) 3.082 1.241 ( -1.723 1.190 2.261) 3.082 1.571 ( -3.980 -1.151 -2.906) 5.060 1.571 ( 3.980 -1.151 2.906) 5.060 1.704 ( 0.183 -0.116 -1.249) 1.267 1.704 ( -0.183 -0.116 1.249) 1.267 1.786 ( 4.966 1.426 -2.915) 5.933 1.786 ( -4.966 1.426 2.915) 5.933 1.948 ( -0.560 -0.818 -2.028) 2.258 1.948 ( 0.560 -0.818 2.028) 2.258 2.152 ( -2.015 -8.676 -0.440) 8.918 2.152 ( 2.015 -8.676 0.440) 8.918 2.444 ( 1.687 -2.655 -5.152) 6.036 2.444 ( -1.687 -2.655 5.152) 6.036 2.589 ( -0.264 1.301 -0.933) 1.623 2.589 ( 0.264 1.301 0.933) 1.623 2.680 ( 0.710 2.307 -4.635) 5.225 2.680 ( -0.710 2.307 4.635) 5.225 2.752 ( -2.350 2.623 -4.778) 5.935 2.752 ( 2.350 2.623 4.778) 5.935 2.951 ( -1.502 0.391 -0.716) 1.710 2.951 ( 1.502 0.391 0.716) 1.710 3.041 ( -0.010 0.646 -1.741) 1.857 3.041 ( 0.010 0.646 1.741) 1.857 3.263 ( -2.323 -1.144 -2.267) 3.442 3.263 ( 2.323 -1.144 2.267) 3.442 3.328 ( 0.146 1.662 -0.529) 1.751 3.328 ( -0.146 1.662 0.529) 1.751 4.003 ( 0.504 -0.084 -0.847) 0.989 4.003 ( -0.504 -0.084 0.847) 0.989 4.216 ( 0.233 0.773 -3.092) 3.196 4.216 ( -0.233 0.773 3.092) 3.196 4.870 ( 0.425 0.408 -0.532) 0.794 4.870 ( -0.425 0.408 0.532) 0.794 4.973 ( -0.851 -0.643 -0.647) 1.248 4.973 ( 0.851 -0.643 0.647) 1.248 5.005 ( 0.614 0.289 -1.575) 1.715 5.005 ( -0.614 0.289 1.575) 1.715 5.115 ( 0.203 -0.075 -1.541) 1.556 5.115 ( -0.203 -0.075 1.541) 1.556 5.247 ( 0.849 -0.367 -2.034) 2.235 5.247 ( -0.849 -0.367 2.034) 2.235 5.586 ( -0.208 -0.363 -1.781) 1.829 5.586 ( 0.208 -0.363 1.781) 1.829 9.275 ( 0.114 -0.177 -0.564) 0.602 9.275 ( -0.114 -0.177 0.564) 0.602 9.389 ( -0.201 0.548 -0.316) 0.664 9.389 ( 0.201 0.548 0.316) 0.664 9.958 ( -0.113 0.189 -0.175) 0.281 9.958 ( 0.113 0.189 0.175) 0.281 10.076 ( 0.034 0.047 -1.110) 1.112 10.076 ( -0.034 0.047 1.110) 1.112 10.417 ( -0.952 -0.624 -0.550) 1.264 10.417 ( 0.952 -0.624 0.550) 1.264 10.491 ( 0.325 0.763 -2.798) 2.918 10.491 ( -0.325 0.763 2.798) 2.918 10.559 ( 0.266 -0.219 -2.873) 2.894 10.559 ( -0.266 -0.219 2.873) 2.894 10.650 ( 0.217 -0.616 -3.052) 3.121 10.650 ( -0.217 -0.616 3.052) 3.121 ======================= Grid point 133 (59/70) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -1.206 3.904 -4.666) 6.202 0.504 ( 1.206 3.904 4.666) 6.202 0.709 ( 1.987 4.603 -5.074) 7.133 0.709 ( -1.987 4.603 5.074) 7.133 0.819 ( 1.343 -0.821 -8.981) 9.117 0.819 ( -1.343 -0.821 8.981) 9.117 0.935 ( -2.768 1.676 0.389) 3.259 0.935 ( 2.768 1.676 -0.389) 3.259 1.028 ( 1.000 -1.926 -1.722) 2.770 1.028 ( -1.000 -1.926 1.722) 2.770 1.129 ( -0.474 2.555 -7.970) 8.383 1.129 ( 0.474 2.555 7.970) 8.383 1.330 ( -0.755 0.660 -2.026) 2.260 1.330 ( 0.755 0.660 2.026) 2.260 1.533 ( -1.806 -1.931 -3.201) 4.152 1.533 ( 1.806 -1.931 3.201) 4.152 1.618 ( -1.014 -4.789 -4.952) 6.964 1.618 ( 1.014 -4.789 4.952) 6.964 1.837 ( -3.082 0.843 -4.722) 5.702 1.837 ( 3.082 0.843 4.722) 5.702 2.018 ( -0.777 -1.797 -3.099) 3.665 2.018 ( 0.777 -1.797 3.099) 3.665 2.072 ( -2.758 -4.257 -3.291) 6.046 2.072 ( 2.758 -4.257 3.291) 6.046 2.366 ( -2.187 2.810 -3.473) 4.974 2.366 ( 2.187 2.810 3.473) 4.974 2.559 ( 0.255 -2.979 -4.406) 5.325 2.559 ( -0.255 -2.979 4.406) 5.325 2.728 ( -1.741 0.195 -2.482) 3.038 2.728 ( 1.741 0.195 2.482) 3.038 2.851 ( -2.697 -0.134 -0.860) 2.834 2.851 ( 2.697 -0.134 0.860) 2.834 3.017 ( -0.111 3.036 -2.348) 3.840 3.017 ( 0.111 3.036 2.348) 3.840 3.079 ( 0.349 -1.748 -4.016) 4.394 3.079 ( -0.349 -1.748 4.016) 4.394 3.200 ( 2.244 2.933 -4.422) 5.761 3.200 ( -2.244 2.933 4.422) 5.761 3.386 ( -1.651 -0.091 -0.718) 1.803 3.386 ( 1.651 -0.091 0.718) 1.803 3.880 ( -0.951 0.098 -0.300) 1.002 3.880 ( 0.951 0.098 0.300) 1.002 4.266 ( 0.018 1.557 -0.566) 1.657 4.266 ( -0.018 1.557 0.566) 1.657 4.870 ( -0.081 0.533 -0.697) 0.881 4.870 ( 0.081 0.533 0.697) 0.881 4.968 ( 0.376 0.358 -0.610) 0.801 4.968 ( -0.376 0.358 0.610) 0.801 5.002 ( 0.111 -1.117 -2.863) 3.076 5.002 ( -0.111 -1.117 2.863) 3.076 5.108 ( 0.015 -0.215 -0.787) 0.816 5.108 ( -0.015 -0.215 0.787) 0.816 5.234 ( -0.302 -0.374 -1.802) 1.865 5.234 ( 0.302 -0.374 1.802) 1.865 5.575 ( 0.334 -0.269 -0.683) 0.807 5.575 ( -0.334 -0.269 0.683) 0.807 9.267 ( 0.012 0.012 -0.356) 0.357 9.267 ( -0.012 0.012 0.356) 0.357 9.398 ( -0.465 0.118 -0.349) 0.593 9.398 ( 0.465 0.118 0.349) 0.593 9.953 ( -0.115 0.074 -0.341) 0.367 9.953 ( 0.115 0.074 0.341) 0.367 10.077 ( 0.130 0.051 -0.962) 0.972 10.077 ( -0.130 0.051 0.962) 0.972 10.401 ( 0.105 -0.159 -0.488) 0.524 10.401 ( -0.105 -0.159 0.488) 0.524 10.497 ( 0.196 1.072 -1.591) 1.928 10.497 ( -0.196 1.072 1.591) 1.928 10.522 ( 0.788 0.480 -1.538) 1.794 10.522 ( -0.788 0.480 1.538) 1.794 10.694 ( 0.677 -2.186 -2.243) 3.205 10.694 ( -0.677 -2.186 2.243) 3.205 ======================= Grid point 135 (60/70) ======================= q-point: ( 0.17 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.511 ( 3.781 2.879 -2.792) 5.512 0.593 ( 4.520 4.931 1.897) 6.953 0.671 ( 0.541 4.477 -0.516) 4.539 0.750 ( 2.677 1.811 -5.026) 5.975 0.821 ( -0.532 -2.874 5.808) 6.502 0.861 ( -1.007 0.459 -0.108) 1.112 0.906 ( 3.057 2.124 1.631) 4.064 0.943 ( -1.774 0.901 1.581) 2.541 0.995 ( -0.176 1.252 -1.279) 1.798 1.074 ( 1.227 -2.044 -1.103) 2.627 1.105 ( 0.461 1.846 -7.015) 7.268 1.156 ( 0.002 1.872 3.706) 4.152 1.276 ( -3.588 0.316 1.024) 3.745 1.282 ( -4.924 -0.146 1.521) 5.155 1.534 ( 1.404 -5.427 0.507) 5.628 1.582 ( 1.332 1.793 -0.771) 2.363 1.621 ( 2.961 -2.616 -2.641) 4.753 1.655 ( 1.845 -4.079 1.674) 4.779 1.759 ( -3.616 -2.344 -3.339) 5.451 1.885 ( 0.241 3.060 4.367) 5.338 1.970 ( -2.797 1.459 -4.366) 5.387 1.995 ( -3.499 -6.986 -1.273) 7.916 2.024 ( -0.922 -4.894 -0.065) 4.981 2.083 ( -2.124 -3.442 2.211) 4.609 2.338 ( -0.182 0.503 -1.324) 1.428 2.414 ( 1.633 2.425 5.319) 6.069 2.557 ( 0.603 -1.536 1.445) 2.193 2.601 ( 2.428 -2.296 1.230) 3.561 2.694 ( -0.787 0.442 -3.044) 3.175 2.755 ( 0.216 0.940 2.760) 2.924 2.808 ( -0.780 0.518 0.031) 0.936 2.911 ( 2.255 -0.113 0.226) 2.269 2.961 ( -3.711 4.444 -2.216) 6.200 2.974 ( -3.255 1.651 -1.087) 3.808 3.065 ( -0.945 -1.376 -1.453) 2.213 3.111 ( 1.368 -1.169 -0.032) 1.799 3.154 ( -1.858 1.833 3.352) 4.249 3.265 ( 3.302 1.813 -2.809) 4.699 3.347 ( -1.838 0.450 -0.244) 1.908 3.407 ( 0.280 0.582 0.513) 0.825 3.897 ( 2.474 0.208 -0.192) 2.490 3.929 ( 3.565 -0.209 0.591) 3.620 4.254 ( -0.925 1.438 0.053) 1.710 4.264 ( -0.440 1.470 -0.058) 1.536 4.870 ( 0.184 0.712 -0.570) 0.930 4.875 ( 0.289 0.330 0.707) 0.832 4.959 ( -0.496 0.399 0.358) 0.730 4.976 ( 0.206 -0.318 -0.405) 0.555 4.994 ( -0.084 -0.472 -0.865) 0.989 5.010 ( 0.259 -1.070 0.684) 1.296 5.107 ( 0.067 -0.282 -0.555) 0.626 5.111 ( 0.060 -0.165 0.656) 0.679 5.228 ( 0.025 -0.068 -1.418) 1.420 5.243 ( 0.154 -0.706 1.782) 1.923 5.571 ( -0.125 -0.160 0.439) 0.484 5.580 ( 0.277 -0.456 -0.928) 1.071 9.268 ( 0.114 -0.078 0.026) 0.141 9.270 ( 0.170 0.124 0.262) 0.336 9.390 ( -0.220 0.250 -0.366) 0.495 9.407 ( 0.216 -0.034 0.037) 0.222 9.947 ( -0.025 0.107 0.079) 0.135 9.963 ( 0.403 0.061 -0.059) 0.412 10.074 ( -0.133 0.014 0.284) 0.314 10.080 ( 0.094 0.056 -0.218) 0.244 10.399 ( 0.068 0.737 0.107) 0.748 10.405 ( 0.301 -0.838 -0.225) 0.919 10.498 ( 0.143 0.837 0.671) 1.082 10.500 ( 0.311 0.861 -1.046) 1.390 10.517 ( 0.050 -0.092 1.943) 1.946 10.538 ( 1.093 0.742 -1.463) 1.971 10.674 ( -1.608 -1.622 1.925) 2.987 10.688 ( -0.917 -2.051 -2.197) 3.142 ======================= Grid point 136 (61/70) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( 5.188 2.925 -6.062) 8.498 0.631 ( 2.827 1.413 3.884) 5.007 0.745 ( 1.035 1.133 -5.630) 5.836 0.779 ( 1.177 -0.101 2.655) 2.906 0.813 ( 2.616 3.797 1.478) 4.842 0.838 ( -0.912 0.912 4.324) 4.512 0.927 ( 0.255 2.085 -1.466) 2.561 0.969 ( -0.186 1.320 4.015) 4.231 1.009 ( 2.852 -0.362 -0.314) 2.892 1.054 ( -1.956 -0.531 -3.237) 3.819 1.094 ( -2.290 1.835 -6.099) 6.768 1.115 ( -4.218 -0.118 3.078) 5.223 1.220 ( 0.120 0.029 -0.693) 0.704 1.249 ( -0.364 -3.347 3.529) 4.877 1.540 ( -0.552 0.258 1.149) 1.301 1.612 ( 1.043 -0.015 -4.039) 4.171 1.648 ( -0.223 -5.495 1.090) 5.607 1.691 ( 1.510 -0.980 -0.613) 1.901 1.726 ( 1.901 -1.805 -2.405) 3.557 1.850 ( -3.294 0.728 1.609) 3.737 1.936 ( -1.953 -6.984 -0.685) 7.284 1.947 ( -0.288 0.662 -0.244) 0.762 1.991 ( -1.967 -3.345 -0.880) 3.979 2.029 ( -3.251 -5.891 1.897) 6.991 2.350 ( 1.816 -1.633 -2.571) 3.546 2.433 ( -1.137 -0.113 5.355) 5.476 2.582 ( 1.516 -0.437 3.513) 3.851 2.622 ( -0.195 0.966 1.419) 1.728 2.700 ( 1.676 1.827 -4.417) 5.065 2.764 ( 0.417 2.288 3.582) 4.271 2.798 ( -1.218 1.017 -0.976) 1.863 2.872 ( -3.167 5.147 -2.800) 6.661 2.930 ( -0.138 1.061 -0.997) 1.462 2.960 ( 0.935 -0.300 0.705) 1.208 3.046 ( -0.590 -0.260 -1.032) 1.217 3.088 ( -2.682 -0.231 1.845) 3.264 3.172 ( 2.396 -0.896 0.057) 2.558 3.274 ( -1.884 -2.396 -2.059) 3.678 3.346 ( 1.774 3.528 -0.273) 3.959 3.401 ( -0.852 1.803 0.598) 2.082 3.956 ( 3.330 0.264 -0.205) 3.346 3.992 ( 2.370 -0.157 0.580) 2.445 4.236 ( -0.780 1.140 0.254) 1.404 4.250 ( -0.912 1.199 -0.235) 1.524 4.875 ( 0.355 0.762 -0.408) 0.934 4.881 ( 0.125 0.363 0.551) 0.672 4.953 ( -0.037 0.014 0.357) 0.359 4.971 ( -0.529 -0.981 -0.386) 1.179 4.998 ( 0.559 0.210 -0.848) 1.037 5.012 ( -0.165 -0.670 0.625) 0.931 5.109 ( 0.222 -0.321 -0.773) 0.866 5.112 ( -0.034 -0.206 0.896) 0.920 5.230 ( 0.450 -0.131 -1.299) 1.381 5.245 ( -0.340 -0.696 1.633) 1.808 5.572 ( 0.167 -0.266 0.621) 0.696 5.581 ( 0.020 -0.519 -1.041) 1.164 9.271 ( 0.176 -0.061 0.049) 0.193 9.273 ( 0.101 0.122 0.232) 0.281 9.390 ( 0.236 0.237 -0.230) 0.406 9.405 ( -0.332 0.033 -0.075) 0.342 9.952 ( 0.444 0.072 0.095) 0.460 9.966 ( -0.043 0.088 -0.077) 0.125 10.074 ( 0.046 -0.020 0.289) 0.293 10.080 ( -0.090 0.028 -0.225) 0.244 10.404 ( 0.330 0.734 -0.037) 0.806 10.410 ( 0.149 -0.862 -0.110) 0.881 10.503 ( 0.165 0.548 0.969) 1.126 10.504 ( 0.310 0.696 -1.305) 1.511 10.531 ( 0.901 -0.399 2.360) 2.557 10.553 ( 0.731 0.295 -1.809) 1.973 10.648 ( -1.391 -0.924 1.765) 2.430 10.658 ( -1.584 -1.333 -2.110) 2.956 ======================= Grid point 137 (62/70) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 0.928 -0.536 -4.390) 4.519 0.660 ( -0.928 -0.536 4.390) 4.519 0.777 ( 4.055 2.275 -6.824) 8.257 0.777 ( -4.055 2.275 6.824) 8.257 0.833 ( -2.988 3.145 -1.305) 4.530 0.833 ( 2.988 3.145 1.305) 4.530 0.976 ( -5.170 4.359 0.070) 6.763 0.976 ( 5.170 4.359 -0.070) 6.763 1.000 ( -1.368 -1.414 -2.176) 2.934 1.000 ( 1.368 -1.414 2.176) 2.934 1.072 ( -0.060 -1.900 -4.878) 5.236 1.072 ( 0.060 -1.900 4.878) 5.236 1.241 ( 1.347 -1.811 -2.901) 3.675 1.241 ( -1.347 -1.811 2.901) 3.675 1.560 ( -1.555 0.083 -5.231) 5.458 1.560 ( 1.555 0.083 5.231) 5.458 1.690 ( -1.708 -1.462 -1.974) 2.992 1.690 ( 1.708 -1.462 1.974) 2.992 1.784 ( 1.509 -2.886 -4.131) 5.260 1.784 ( -1.509 -2.886 4.131) 5.260 1.928 ( 1.140 -2.348 -1.430) 2.976 1.928 ( -1.140 -2.348 1.430) 2.976 1.984 ( 0.479 -4.938 -2.674) 5.636 1.984 ( -0.479 -4.938 2.674) 5.636 2.395 ( 2.234 -1.923 -6.212) 6.876 2.395 ( -2.234 -1.923 6.212) 6.876 2.614 ( -0.755 0.785 -1.669) 1.993 2.614 ( 0.755 0.785 1.669) 1.993 2.734 ( 1.282 3.193 -3.108) 4.636 2.734 ( -1.282 3.193 3.108) 4.636 2.815 ( -2.115 3.503 -3.221) 5.208 2.815 ( 2.115 3.503 3.221) 5.208 2.954 ( -0.100 -0.090 -0.505) 0.523 2.954 ( 0.100 -0.090 0.505) 0.523 3.049 ( 0.526 0.228 -1.715) 1.808 3.049 ( -0.526 0.228 1.715) 1.808 3.223 ( -2.327 -2.363 -1.010) 3.467 3.223 ( 2.327 -2.363 1.010) 3.467 3.379 ( 1.495 2.888 -0.643) 3.315 3.379 ( -1.495 2.888 0.643) 3.315 4.004 ( -0.314 0.210 -0.465) 0.599 4.004 ( 0.314 0.210 0.465) 0.599 4.234 ( 0.014 0.960 -1.927) 2.153 4.234 ( -0.014 0.960 1.927) 2.153 4.880 ( 0.277 0.633 -0.369) 0.783 4.880 ( -0.277 0.633 0.369) 0.783 4.959 ( -0.522 -0.611 -0.447) 0.919 4.959 ( 0.522 -0.611 0.447) 0.919 5.007 ( 0.310 -0.136 -1.353) 1.395 5.007 ( -0.310 -0.136 1.353) 1.395 5.112 ( 0.203 -0.291 -1.138) 1.192 5.112 ( -0.203 -0.291 1.138) 1.192 5.238 ( 0.517 -0.424 -1.699) 1.825 5.238 ( -0.517 -0.424 1.699) 1.825 5.578 ( -0.100 -0.436 -1.180) 1.262 5.578 ( 0.100 -0.436 1.180) 1.262 9.274 ( 0.052 0.029 -0.454) 0.458 9.274 ( -0.052 0.029 0.454) 0.458 9.397 ( -0.133 0.163 -0.340) 0.399 9.397 ( 0.133 0.163 0.340) 0.399 9.961 ( -0.373 0.074 -0.126) 0.400 9.961 ( 0.373 0.074 0.126) 0.400 10.077 ( 0.018 -0.012 -0.859) 0.860 10.077 ( -0.018 -0.012 0.859) 0.860 10.409 ( -0.058 -0.152 -0.083) 0.183 10.409 ( 0.058 -0.152 0.083) 0.183 10.506 ( 0.169 0.601 -1.849) 1.952 10.506 ( -0.169 0.601 1.849) 1.952 10.552 ( -0.533 -0.356 -2.424) 2.507 10.552 ( 0.533 -0.356 2.424) 2.507 10.636 ( 0.082 -0.697 -2.439) 2.538 10.636 ( -0.082 -0.697 2.439) 2.538 ======================= Grid point 141 (63/70) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -0.626 3.737 -3.027) 4.850 0.580 ( 0.626 3.737 3.027) 4.850 0.723 ( 0.997 -2.460 -6.918) 7.410 0.723 ( -0.997 -2.460 6.918) 7.410 0.814 ( -1.253 0.557 -6.399) 6.545 0.814 ( 1.253 0.557 6.399) 6.545 0.948 ( -1.090 -0.717 -0.690) 1.476 0.948 ( 1.090 -0.717 0.690) 1.476 1.019 ( 0.103 1.286 -0.240) 1.312 1.019 ( -0.103 1.286 0.240) 1.312 1.193 ( -0.073 3.070 -2.934) 4.247 1.193 ( 0.073 3.070 2.934) 4.247 1.320 ( -1.669 -2.943 -1.352) 3.643 1.320 ( 1.669 -2.943 1.352) 3.643 1.495 ( -6.017 -0.034 -0.580) 6.045 1.495 ( 6.017 -0.034 0.580) 6.045 1.546 ( -0.198 -2.015 -4.712) 5.129 1.546 ( 0.198 -2.015 4.712) 5.129 1.833 ( -2.291 -1.480 -1.539) 3.132 1.833 ( 2.291 -1.480 1.539) 3.132 1.956 ( -0.935 -2.312 -1.937) 3.157 1.956 ( 0.935 -2.312 1.937) 3.157 2.072 ( -0.149 1.970 -3.586) 4.094 2.072 ( 0.149 1.970 3.586) 4.094 2.357 ( -2.883 -3.537 -3.000) 5.461 2.357 ( 2.883 -3.537 3.000) 5.461 2.567 ( 1.428 3.552 -3.018) 4.875 2.567 ( -1.428 3.552 3.018) 4.875 2.732 ( -1.286 0.244 -2.194) 2.555 2.732 ( 1.286 0.244 2.194) 2.555 2.839 ( -2.210 -1.005 -0.491) 2.477 2.839 ( 2.210 -1.005 0.491) 2.477 3.029 ( 0.703 -2.114 -2.225) 3.149 3.029 ( -0.703 -2.114 2.225) 3.149 3.070 ( -0.330 1.391 -2.552) 2.925 3.070 ( 0.330 1.391 2.552) 2.925 3.256 ( 2.764 2.446 -2.494) 4.455 3.256 ( -2.764 2.446 2.494) 4.455 3.386 ( 0.528 -0.033 -0.897) 1.041 3.386 ( -0.528 -0.033 0.897) 1.041 3.881 ( -0.563 -0.016 -0.158) 0.585 3.881 ( 0.563 -0.016 0.158) 0.585 4.293 ( 0.014 1.047 -0.234) 1.073 4.293 ( -0.014 1.047 0.234) 1.073 4.882 ( 0.087 0.612 -0.211) 0.653 4.882 ( -0.087 0.612 0.211) 0.653 4.963 ( 0.014 -0.939 -0.536) 1.081 4.963 ( -0.014 -0.939 0.536) 1.081 4.992 ( -0.042 0.177 -1.142) 1.157 4.992 ( 0.042 0.177 1.142) 1.157 5.105 ( -0.047 -0.081 -0.363) 0.375 5.105 ( 0.047 -0.081 0.363) 0.375 5.227 ( -0.058 -0.312 -0.955) 1.006 5.227 ( 0.058 -0.312 0.955) 1.006 5.570 ( 0.133 -0.178 -0.331) 0.398 5.570 ( -0.133 -0.178 0.331) 0.398 9.271 ( -0.077 0.220 -0.264) 0.353 9.271 ( 0.077 0.220 0.264) 0.353 9.401 ( -0.233 0.109 -0.356) 0.439 9.401 ( 0.233 0.109 0.356) 0.439 9.958 ( -0.045 0.383 -0.184) 0.427 9.958 ( 0.045 0.383 0.184) 0.427 10.078 ( 0.048 0.028 -0.584) 0.587 10.078 ( -0.048 0.028 0.584) 0.587 10.364 ( -0.346 -2.282 -0.312) 2.329 10.364 ( 0.346 -2.282 0.312) 2.329 10.503 ( -0.002 -0.069 -0.516) 0.521 10.503 ( 0.002 -0.069 0.516) 0.521 10.558 ( 0.332 1.899 -0.494) 1.990 10.558 ( -0.332 1.899 0.494) 1.990 10.666 ( 0.367 -0.697 -1.317) 1.534 10.666 ( -0.367 -0.697 1.317) 1.534 ======================= Grid point 143 (64/70) ======================= q-point: ( 0.17 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( 2.455 3.312 -0.775) 4.195 0.685 ( 6.516 2.717 -1.377) 7.193 0.720 ( -0.542 0.253 6.202) 6.230 0.749 ( 2.645 -1.032 -3.429) 4.451 0.770 ( -0.682 -0.047 -4.736) 4.785 0.869 ( 1.163 -0.279 2.362) 2.648 0.932 ( 1.133 0.747 -0.022) 1.357 0.963 ( -0.216 0.367 2.081) 2.124 1.007 ( 0.125 -0.304 0.569) 0.657 1.040 ( 0.709 -0.381 -0.972) 1.262 1.151 ( -2.121 2.180 -1.575) 3.425 1.198 ( -1.416 1.323 -0.247) 1.954 1.261 ( -4.622 0.098 -0.218) 4.628 1.337 ( -2.807 2.578 0.801) 3.894 1.384 ( -1.425 -6.700 -0.817) 6.899 1.539 ( 1.391 -6.665 0.373) 6.819 1.584 ( 2.977 0.146 -1.485) 3.330 1.621 ( 4.367 0.914 1.905) 4.851 1.771 ( -3.256 2.291 -1.544) 4.270 1.870 ( -0.859 -3.436 -0.866) 3.646 1.904 ( -1.879 -2.328 -0.871) 3.116 1.939 ( -2.901 -3.546 0.531) 4.613 2.012 ( -4.045 1.981 -0.573) 4.541 2.058 ( -2.710 0.498 0.799) 2.869 2.322 ( -0.186 -1.331 -2.839) 3.141 2.414 ( 1.595 -3.576 3.079) 4.981 2.560 ( 0.253 2.886 4.387) 5.257 2.614 ( 2.791 2.354 1.018) 3.791 2.704 ( 0.027 1.102 -2.313) 2.562 2.767 ( 1.353 0.039 1.107) 1.748 2.819 ( 0.062 0.711 0.819) 1.086 2.892 ( 2.701 -1.657 1.337) 3.440 2.992 ( -2.465 -0.068 -1.030) 2.673 3.008 ( -1.986 -0.613 -4.542) 4.995 3.057 ( -0.430 1.152 -1.156) 1.688 3.087 ( 0.106 -0.703 1.051) 1.269 3.200 ( -3.022 2.695 2.785) 4.915 3.274 ( -1.029 -0.537 -0.981) 1.520 3.376 ( 0.933 1.847 0.049) 2.070 3.415 ( 1.298 0.079 -0.535) 1.406 3.903 ( 2.694 0.431 -0.068) 2.729 3.922 ( 3.361 -0.426 0.256) 3.397 4.281 ( -1.039 1.127 0.051) 1.534 4.288 ( -0.679 0.843 -0.093) 1.086 4.883 ( 0.127 0.459 0.185) 0.511 4.885 ( 0.238 0.644 -0.189) 0.712 4.958 ( -0.236 -0.935 -0.076) 0.967 4.964 ( -0.167 -0.242 0.303) 0.422 4.991 ( 0.228 -0.294 -0.998) 1.065 4.996 ( 0.167 0.027 0.655) 0.676 5.103 ( -0.062 -0.106 -0.240) 0.269 5.107 ( 0.011 -0.189 0.347) 0.395 5.226 ( 0.121 -0.101 -0.793) 0.809 5.231 ( 0.097 -0.481 0.957) 1.076 5.568 ( -0.085 -0.079 0.186) 0.219 5.572 ( 0.095 -0.312 -0.372) 0.494 9.270 ( 0.071 0.218 -0.115) 0.257 9.274 ( 0.148 0.152 0.294) 0.362 9.395 ( -0.210 0.267 -0.350) 0.488 9.405 ( 0.036 -0.171 0.109) 0.206 9.954 ( -0.087 0.487 0.076) 0.500 9.964 ( 0.225 0.063 -0.068) 0.244 10.075 ( -0.138 0.074 0.032) 0.160 10.080 ( 0.012 -0.081 0.003) 0.082 10.368 ( 0.785 -1.702 -0.151) 1.880 10.381 ( 1.207 -1.969 0.303) 2.330 10.504 ( 0.204 -0.052 -0.278) 0.348 10.506 ( 0.164 -0.070 0.644) 0.668 10.548 ( -0.602 2.127 0.292) 2.230 10.564 ( 0.173 1.190 -0.465) 1.289 10.653 ( -1.084 -0.506 1.099) 1.625 10.660 ( -0.723 -0.810 -1.483) 1.838 ======================= Grid point 144 (65/70) ======================= q-point: ( 0.33 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( 3.923 1.856 -0.641) 4.387 0.697 ( -1.304 2.990 0.794) 3.357 0.761 ( 1.270 1.096 -3.937) 4.280 0.790 ( 4.645 0.752 0.575) 4.740 0.840 ( 3.963 0.315 -1.625) 4.295 0.883 ( 2.207 1.771 4.028) 4.923 0.952 ( -1.308 1.167 -0.072) 1.755 0.981 ( 1.265 -1.287 1.690) 2.473 1.004 ( -0.005 0.818 1.144) 1.406 1.038 ( -0.394 -1.144 -3.082) 3.311 1.125 ( -1.971 1.471 0.313) 2.479 1.148 ( -1.230 -2.446 -1.938) 3.354 1.158 ( -5.371 1.635 0.325) 5.624 1.249 ( -3.870 1.271 1.211) 4.250 1.440 ( 4.846 -6.894 -1.107) 8.499 1.570 ( 1.525 -8.167 1.181) 8.391 1.611 ( -1.544 1.308 1.762) 2.683 1.671 ( 1.934 2.410 -1.380) 3.384 1.721 ( -2.102 0.694 -3.217) 3.905 1.792 ( -4.268 -2.753 -0.868) 5.152 1.866 ( -2.553 -3.322 -0.785) 4.263 1.915 ( 0.238 -3.513 -0.361) 3.540 1.952 ( -1.989 0.958 1.592) 2.722 1.995 ( -3.348 -0.200 1.017) 3.505 2.332 ( 1.787 0.212 -3.201) 3.673 2.417 ( -1.718 -2.036 3.263) 4.212 2.587 ( 1.503 1.358 3.915) 4.408 2.637 ( -0.389 0.103 0.932) 1.016 2.744 ( 3.705 2.664 -2.414) 5.163 2.795 ( 1.183 0.895 2.162) 2.622 2.831 ( 0.968 2.235 1.216) 2.723 2.930 ( 0.810 -1.436 0.476) 1.716 2.951 ( -2.907 2.125 -4.227) 5.553 2.959 ( -0.422 0.518 -0.428) 0.794 3.047 ( -0.183 0.496 -1.627) 1.711 3.074 ( -1.460 -0.907 1.152) 2.069 3.168 ( -0.532 0.580 1.015) 1.285 3.231 ( -2.825 -1.908 0.052) 3.409 3.404 ( 1.562 2.194 -0.403) 2.723 3.430 ( 0.282 0.869 -0.176) 0.931 3.965 ( 3.338 0.615 -0.033) 3.394 3.987 ( 2.815 -0.365 0.245) 2.849 4.258 ( -1.100 1.009 0.099) 1.496 4.269 ( -1.194 0.597 -0.164) 1.345 4.887 ( 0.239 0.270 0.179) 0.402 4.889 ( 0.201 0.510 -0.153) 0.569 4.954 ( -0.108 -0.440 -0.352) 0.574 4.959 ( -0.357 0.304 0.452) 0.651 4.995 ( 0.345 -0.720 -0.805) 1.134 4.999 ( 0.029 -0.314 0.568) 0.650 5.103 ( 0.080 -0.251 -0.367) 0.452 5.107 ( -0.121 -0.343 0.485) 0.606 5.229 ( 0.261 -0.047 -0.782) 0.826 5.233 ( -0.064 -0.406 0.916) 1.004 5.568 ( 0.054 -0.128 0.222) 0.261 5.572 ( -0.021 -0.348 -0.391) 0.524 9.272 ( 0.174 0.158 -0.044) 0.239 9.276 ( 0.038 0.086 0.218) 0.238 9.393 ( 0.072 0.150 -0.237) 0.289 9.402 ( -0.260 -0.262 0.014) 0.369 9.956 ( 0.226 0.258 0.066) 0.350 9.965 ( -0.095 -0.140 -0.064) 0.181 10.074 ( 0.019 0.023 0.025) 0.039 10.079 ( -0.134 -0.133 0.010) 0.189 10.389 ( 1.238 -0.655 0.038) 1.401 10.404 ( 0.900 -0.858 0.064) 1.245 10.509 ( 0.278 -0.033 -0.185) 0.336 10.510 ( 0.125 -0.046 0.727) 0.739 10.541 ( -0.048 1.340 0.353) 1.386 10.562 ( -0.291 0.393 -0.558) 0.742 10.634 ( -0.995 -0.409 1.083) 1.526 10.638 ( -1.050 -0.615 -1.563) 1.981 ======================= Grid point 145 (66/70) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( 0.209 2.132 -4.033) 4.566 0.680 ( -0.209 2.132 4.033) 4.566 0.819 ( 3.488 2.106 -5.461) 6.814 0.819 ( -3.488 2.106 5.461) 6.814 0.891 ( -3.117 1.857 -0.366) 3.647 0.891 ( 3.117 1.857 0.366) 3.647 0.954 ( -0.731 -1.752 -2.493) 3.133 0.954 ( 0.731 -1.752 2.493) 3.133 1.033 ( 0.023 -1.182 -4.227) 4.389 1.033 ( -0.023 -1.182 4.227) 4.389 1.085 ( 0.852 3.437 -1.565) 3.872 1.085 ( -0.852 3.437 1.565) 3.872 1.186 ( 1.948 -1.906 -1.685) 3.204 1.186 ( -1.948 -1.906 1.685) 3.204 1.535 ( 3.171 -4.386 -2.836) 6.110 1.535 ( -3.171 -4.386 2.836) 6.110 1.634 ( -4.432 -2.990 -2.536) 5.918 1.634 ( 4.432 -2.990 2.536) 5.918 1.724 ( 1.341 -0.258 -6.631) 6.771 1.724 ( -1.341 -0.258 6.631) 6.771 1.880 ( 0.264 -1.873 -3.628) 4.092 1.880 ( -0.264 -1.873 3.628) 4.092 1.953 ( -0.773 -0.578 -0.743) 1.218 1.953 ( 0.773 -0.578 0.743) 1.218 2.374 ( 1.999 -0.322 -4.727) 5.142 2.374 ( -1.999 -0.322 4.727) 5.142 2.620 ( -1.061 0.048 -1.979) 2.246 2.620 ( 1.061 0.048 1.979) 2.246 2.794 ( 1.375 2.504 -1.700) 3.325 2.794 ( -1.375 2.504 1.700) 3.325 2.880 ( -3.303 2.753 -3.709) 5.678 2.880 ( 3.303 2.753 3.709) 5.678 2.949 ( 0.429 -0.343 -1.484) 1.582 2.949 ( -0.429 -0.343 1.484) 1.582 3.051 ( 0.576 -0.052 -1.528) 1.634 3.051 ( -0.576 -0.052 1.528) 1.634 3.183 ( -1.652 -1.538 0.128) 2.261 3.183 ( 1.652 -1.538 -0.128) 2.261 3.426 ( -0.226 1.637 -0.082) 1.655 3.426 ( 0.226 1.637 0.082) 1.655 4.009 ( -0.383 0.265 -0.208) 0.510 4.009 ( 0.383 0.265 0.208) 0.510 4.250 ( -0.066 0.645 -0.885) 1.097 4.250 ( 0.066 0.645 0.885) 1.097 4.890 ( -0.060 0.279 -0.159) 0.327 4.890 ( 0.060 0.279 0.159) 0.327 4.954 ( 0.163 0.151 -0.606) 0.646 4.954 ( -0.163 0.151 0.606) 0.646 4.999 ( 0.173 -0.631 -1.188) 1.356 4.999 ( -0.173 -0.631 1.188) 1.356 5.105 ( 0.161 -0.381 -0.600) 0.728 5.105 ( -0.161 -0.381 0.600) 0.728 5.232 ( 0.218 -0.184 -0.980) 1.021 5.232 ( -0.218 -0.184 0.980) 1.021 5.570 ( -0.024 -0.263 -0.558) 0.617 5.570 ( 0.024 -0.263 0.558) 0.617 9.275 ( 0.052 0.094 -0.227) 0.251 9.275 ( -0.052 0.094 0.227) 0.251 9.397 ( -0.010 -0.101 -0.217) 0.240 9.397 ( 0.010 -0.101 0.217) 0.240 9.961 ( -0.281 -0.047 -0.073) 0.294 9.961 ( 0.281 -0.047 0.073) 0.294 10.076 ( 0.030 -0.076 -0.489) 0.496 10.076 ( -0.030 -0.076 0.489) 0.496 10.408 ( -0.450 -0.060 -0.162) 0.482 10.408 ( 0.450 -0.060 0.162) 0.482 10.512 ( 0.080 0.012 -0.476) 0.483 10.512 ( -0.080 0.012 0.476) 0.483 10.550 ( -0.718 0.178 -0.772) 1.069 10.550 ( 0.718 0.178 0.772) 1.069 10.625 ( 0.086 -0.368 -1.330) 1.382 10.625 ( -0.086 -0.368 1.330) 1.382 ======================= Grid point 149 (67/70) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 0.000 -0.000 -0.000) 0.000 0.647 ( -0.000 -0.000 0.000) 0.000 0.661 ( 0.000 0.000 -0.000) 0.000 0.661 ( -0.000 0.000 0.000) 0.000 0.823 ( 0.000 0.000 0.000) 0.000 0.823 ( -0.000 0.000 0.000) 0.000 0.940 ( -0.000 0.000 0.000) 0.000 0.940 ( 0.000 0.000 0.000) 0.000 1.037 ( -0.000 0.000 0.000) 0.000 1.037 ( -0.000 0.000 0.000) 0.000 1.230 ( 0.000 0.000 0.000) 0.000 1.230 ( -0.000 0.000 0.000) 0.000 1.266 ( 0.000 0.000 -0.000) 0.000 1.266 ( -0.000 0.000 0.000) 0.000 1.517 ( -0.000 0.000 -0.000) 0.000 1.517 ( 0.000 0.000 -0.000) 0.000 1.523 ( -0.000 0.000 0.000) 0.000 1.523 ( 0.000 -0.000 0.000) 0.000 1.805 ( 0.000 0.000 -0.000) 0.000 1.805 ( -0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 2.099 ( -0.000 0.000 -0.000) 0.000 2.099 ( -0.000 0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.307 ( -0.000 0.000 0.000) 0.000 2.616 ( -0.000 0.000 0.000) 0.000 2.616 ( -0.000 0.000 0.000) 0.000 2.737 ( -0.000 0.000 -0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.823 ( -0.000 0.000 -0.000) 0.000 2.823 ( 0.000 0.000 0.000) 0.000 3.003 ( -0.000 0.000 -0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.085 ( -0.000 0.000 -0.000) 0.000 3.085 ( 0.000 0.000 0.000) 0.000 3.283 ( -0.000 0.000 0.000) 0.000 3.283 ( -0.000 0.000 0.000) 0.000 3.384 ( -0.000 0.000 0.000) 0.000 3.384 ( 0.000 0.000 0.000) 0.000 3.881 ( -0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 4.303 ( -0.000 0.000 0.000) 0.000 4.303 ( -0.000 0.000 0.000) 0.000 4.890 ( -0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 -0.000) 0.000 4.995 ( -0.000 0.000 0.000) 0.000 5.105 ( -0.000 0.000 0.000) 0.000 5.105 ( -0.000 0.000 0.000) 0.000 5.224 ( -0.000 0.000 0.000) 0.000 5.224 ( 0.000 0.000 0.000) 0.000 5.569 ( -0.000 0.000 0.000) 0.000 5.569 ( 0.000 0.000 0.000) 0.000 9.273 ( -0.000 0.000 0.000) 0.000 9.273 ( 0.000 0.000 0.000) 0.000 9.402 ( -0.000 0.000 0.000) 0.000 9.402 ( 0.000 0.000 0.000) 0.000 9.963 ( -0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 0.000) 0.000 10.078 ( -0.000 0.000 0.000) 0.000 10.078 ( 0.000 0.000 0.000) 0.000 10.339 ( -0.000 0.000 0.000) 0.000 10.339 ( 0.000 0.000 0.000) 0.000 10.502 ( -0.000 0.000 0.000) 0.000 10.502 ( 0.000 0.000 0.000) 0.000 10.577 ( 0.000 0.000 0.000) 0.000 10.577 ( -0.000 0.000 0.000) 0.000 10.661 ( -0.000 0.000 -0.000) 0.000 10.661 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 153 (68/70) ======================= q-point: ( 0.17 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.645 ( 1.659 -3.959 1.471) 4.538 0.645 ( 1.659 3.959 1.471) 4.538 0.729 ( 4.294 -0.899 -3.823) 5.819 0.729 ( 4.294 0.899 -3.823) 5.819 0.833 ( 1.213 -3.454 1.293) 3.883 0.833 ( 1.213 3.454 1.293) 3.883 0.949 ( 1.225 -1.205 0.603) 1.821 0.949 ( 1.225 1.205 0.603) 1.821 1.024 ( -1.204 -1.468 -0.283) 1.919 1.024 ( -1.204 1.468 -0.283) 1.919 1.183 ( -3.614 -1.708 0.603) 4.043 1.183 ( -3.614 1.708 0.603) 4.043 1.285 ( -0.045 -2.198 -1.473) 2.647 1.285 ( -0.045 2.198 -1.473) 2.647 1.424 ( -3.538 -4.725 0.046) 5.903 1.424 ( -3.538 4.725 0.046) 5.903 1.610 ( 3.856 -1.838 1.028) 4.394 1.610 ( 3.856 1.838 1.028) 4.394 1.819 ( 1.230 -2.719 -0.237) 2.994 1.819 ( 1.230 2.719 -0.237) 2.994 1.885 ( -5.382 -1.792 -1.712) 5.925 1.885 ( -5.382 1.792 -1.712) 5.925 2.051 ( -4.033 -1.545 0.581) 4.357 2.051 ( -4.033 1.545 0.581) 4.357 2.335 ( 2.052 -3.003 -0.327) 3.652 2.335 ( 2.052 3.003 -0.327) 3.652 2.620 ( -0.012 -1.937 2.752) 3.365 2.620 ( -0.012 1.937 2.752) 3.365 2.745 ( 1.378 -2.236 -0.438) 2.663 2.745 ( 1.378 2.236 -0.438) 2.663 2.849 ( 1.994 -2.316 1.194) 3.281 2.849 ( 1.994 2.316 1.194) 3.281 2.989 ( -0.930 -0.437 -2.843) 3.023 2.989 ( -0.930 0.437 -2.843) 3.023 3.077 ( -0.833 -0.673 0.146) 1.081 3.077 ( -0.833 0.673 0.146) 1.081 3.249 ( -2.963 -2.000 1.268) 3.793 3.249 ( -2.963 2.000 1.268) 3.793 3.406 ( 1.701 -1.064 -0.714) 2.130 3.406 ( 1.701 1.064 -0.714) 2.130 3.913 ( 3.070 -0.509 0.068) 3.112 3.913 ( 3.070 0.509 0.068) 3.112 4.294 ( -0.925 -0.204 -0.022) 0.948 4.294 ( -0.925 0.204 -0.022) 0.948 4.890 ( 0.066 -0.178 -0.019) 0.191 4.890 ( 0.066 0.178 -0.019) 0.191 4.952 ( 0.191 -0.402 0.017) 0.445 4.952 ( 0.191 0.402 0.017) 0.445 4.994 ( -0.104 -0.300 -0.052) 0.322 4.994 ( -0.104 0.300 -0.052) 0.322 5.104 ( -0.110 -0.127 0.055) 0.177 5.104 ( -0.110 0.127 0.055) 0.177 5.226 ( 0.153 -0.090 0.023) 0.179 5.226 ( 0.153 0.090 0.023) 0.179 5.568 ( -0.017 -0.099 -0.042) 0.109 5.568 ( -0.017 0.099 -0.042) 0.109 9.274 ( 0.072 -0.119 0.061) 0.152 9.274 ( 0.072 0.119 0.061) 0.152 9.400 ( -0.153 -0.254 -0.097) 0.312 9.400 ( -0.153 0.254 -0.097) 0.312 9.963 ( -0.067 -0.283 -0.006) 0.291 9.963 ( -0.067 0.283 -0.006) 0.291 10.077 ( -0.098 -0.146 0.004) 0.176 10.077 ( -0.098 0.146 0.004) 0.176 10.354 ( 1.483 -0.401 0.144) 1.543 10.354 ( 1.483 0.401 0.144) 1.543 10.504 ( 0.192 -0.059 0.112) 0.230 10.504 ( 0.192 0.059 0.112) 0.230 10.573 ( -0.425 -0.357 0.026) 0.556 10.573 ( -0.425 0.357 0.026) 0.556 10.652 ( -0.907 -0.200 -0.253) 0.963 10.652 ( -0.907 0.200 -0.253) 0.963 ======================= Grid point 155 (69/70) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 2.163 -2.594 0.131) 3.380 0.694 ( 2.163 2.594 0.131) 3.380 0.786 ( 3.639 -1.101 -3.859) 5.417 0.786 ( 3.639 1.101 -3.859) 5.417 0.873 ( 1.813 -2.500 3.365) 4.567 0.873 ( 1.813 2.500 3.365) 4.567 0.986 ( -0.274 -1.669 0.267) 1.712 0.986 ( -0.274 1.669 0.267) 1.712 1.001 ( 0.860 -2.202 -0.813) 2.499 1.001 ( 0.860 2.202 -0.813) 2.499 1.113 ( -3.369 -0.866 0.545) 3.521 1.113 ( -3.369 0.866 0.545) 3.521 1.239 ( -2.953 -4.136 -1.252) 5.234 1.239 ( -2.953 4.136 -1.252) 5.234 1.417 ( 1.913 -5.577 0.478) 5.915 1.417 ( 1.913 5.577 0.478) 5.915 1.657 ( -0.391 -2.954 2.097) 3.644 1.657 ( -0.391 2.954 2.097) 3.644 1.763 ( -4.686 -2.812 -3.430) 6.452 1.763 ( -4.686 2.812 -3.430) 6.452 1.844 ( 1.057 -2.509 -1.048) 2.917 1.844 ( 1.057 2.509 -1.048) 2.917 1.980 ( -3.265 -1.328 1.784) 3.951 1.980 ( -3.265 1.328 1.784) 3.951 2.364 ( 0.987 -2.690 -0.410) 2.895 2.364 ( 0.987 2.690 -0.410) 2.895 2.622 ( -0.254 -1.577 1.946) 2.518 2.622 ( -0.254 1.577 1.946) 2.518 2.789 ( 2.695 -1.514 0.805) 3.194 2.789 ( 2.695 1.514 0.805) 3.194 2.885 ( 1.547 -2.909 0.938) 3.426 2.885 ( 1.547 2.909 0.938) 3.426 2.966 ( -0.959 -0.190 -2.869) 3.032 2.966 ( -0.959 0.190 -2.869) 3.032 3.059 ( -0.920 -0.660 -0.210) 1.152 3.059 ( -0.920 0.660 -0.210) 1.152 3.195 ( -2.652 -1.835 1.042) 3.389 3.195 ( -2.652 1.835 1.042) 3.389 3.432 ( 1.055 -0.653 -0.461) 1.324 3.432 ( 1.055 0.653 -0.461) 1.324 3.978 ( 3.185 -0.589 0.083) 3.240 3.978 ( 3.185 0.589 0.083) 3.240 4.272 ( -1.268 -0.297 -0.039) 1.303 4.272 ( -1.268 0.297 -0.039) 1.303 4.892 ( 0.061 -0.190 -0.026) 0.201 4.892 ( 0.061 0.190 -0.026) 0.201 4.956 ( 0.242 -0.488 0.043) 0.547 4.956 ( 0.242 0.488 0.043) 0.547 4.991 ( -0.143 -0.379 -0.068) 0.411 4.991 ( -0.143 0.379 -0.068) 0.411 5.101 ( -0.115 -0.131 0.056) 0.183 5.101 ( -0.115 0.131 0.056) 0.183 5.229 ( 0.153 -0.087 0.015) 0.177 5.229 ( 0.153 0.087 0.015) 0.177 5.568 ( -0.010 -0.097 -0.039) 0.105 5.568 ( -0.010 0.097 -0.039) 0.105 9.276 ( 0.075 -0.122 0.060) 0.155 9.276 ( 0.075 0.122 0.060) 0.155 9.397 ( -0.152 -0.250 -0.090) 0.307 9.397 ( -0.152 0.250 -0.090) 0.307 9.961 ( -0.060 -0.267 -0.008) 0.274 9.961 ( -0.060 0.267 -0.008) 0.274 10.076 ( -0.083 -0.141 0.005) 0.163 10.076 ( -0.083 0.141 0.005) 0.163 10.387 ( 1.737 -0.489 0.164) 1.812 10.387 ( 1.737 0.489 0.164) 1.812 10.508 ( 0.210 -0.057 0.132) 0.254 10.508 ( 0.210 0.057 0.132) 0.254 10.562 ( -0.681 -0.557 0.021) 0.880 10.562 ( -0.681 0.557 0.021) 0.880 10.632 ( -0.945 -0.108 -0.293) 0.996 10.632 ( -0.945 0.108 -0.293) 0.996 ======================= Grid point 157 (70/70) ======================= q-point: ( 0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.710 ( -0.000 0.000 0.000) 0.000 0.710 ( -0.000 0.000 0.000) 0.000 0.852 ( 0.000 0.000 -0.000) 0.000 0.852 ( 0.000 0.000 -0.000) 0.000 0.880 ( -0.000 -0.000 0.000) 0.000 0.880 ( -0.000 0.000 0.000) 0.000 0.961 ( -0.000 -0.000 -0.000) 0.000 0.961 ( -0.000 0.000 0.000) 0.000 1.017 ( -0.000 0.000 0.000) 0.000 1.017 ( -0.000 0.000 0.000) 0.000 1.081 ( -0.000 0.000 0.000) 0.000 1.081 ( -0.000 0.000 0.000) 0.000 1.211 ( -0.000 -0.000 -0.000) 0.000 1.211 ( -0.000 0.000 0.000) 0.000 1.454 ( -0.000 0.000 -0.000) 0.000 1.454 ( -0.000 0.000 0.000) 0.000 1.611 ( -0.000 0.000 -0.000) 0.000 1.611 ( -0.000 0.000 0.000) 0.000 1.737 ( -0.000 0.000 0.000) 0.000 1.737 ( -0.000 0.000 0.000) 0.000 1.854 ( -0.000 0.000 0.000) 0.000 1.854 ( -0.000 0.000 0.000) 0.000 1.948 ( -0.000 0.000 0.000) 0.000 1.948 ( -0.000 0.000 0.000) 0.000 2.372 ( -0.000 0.000 0.000) 0.000 2.372 ( -0.000 0.000 0.000) 0.000 2.620 ( -0.000 0.000 -0.000) 0.000 2.620 ( -0.000 0.000 0.000) 0.000 2.821 ( -0.000 0.000 0.000) 0.000 2.821 ( -0.000 0.000 0.000) 0.000 2.910 ( -0.000 0.000 -0.000) 0.000 2.910 ( -0.000 0.000 0.000) 0.000 2.944 ( -0.000 0.000 -0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.049 ( -0.000 0.000 -0.000) 0.000 3.049 ( -0.000 0.000 -0.000) 0.000 3.167 ( -0.000 0.000 -0.000) 0.000 3.167 ( -0.000 0.000 0.000) 0.000 3.442 ( -0.000 0.000 -0.000) 0.000 3.442 ( -0.000 0.000 0.000) 0.000 4.012 ( -0.000 0.000 -0.000) 0.000 4.012 ( -0.000 0.000 0.000) 0.000 4.257 ( -0.000 0.000 0.000) 0.000 4.257 ( -0.000 0.000 0.000) 0.000 4.892 ( -0.000 0.000 0.000) 0.000 4.892 ( -0.000 0.000 0.000) 0.000 4.959 ( -0.000 0.000 -0.000) 0.000 4.959 ( -0.000 0.000 0.000) 0.000 4.990 ( -0.000 -0.000 0.000) 0.000 4.990 ( -0.000 0.000 -0.000) 0.000 5.100 ( -0.000 0.000 0.000) 0.000 5.100 ( -0.000 0.000 0.000) 0.000 5.230 ( -0.000 0.000 -0.000) 0.000 5.230 ( -0.000 0.000 0.000) 0.000 5.568 ( -0.000 0.000 -0.000) 0.000 5.568 ( -0.000 0.000 0.000) 0.000 9.276 ( -0.000 0.000 0.000) 0.000 9.276 ( -0.000 0.000 0.000) 0.000 9.395 ( -0.000 0.000 0.000) 0.000 9.395 ( -0.000 0.000 0.000) 0.000 9.961 ( -0.000 0.000 0.000) 0.000 9.961 ( -0.000 0.000 0.000) 0.000 10.075 ( -0.000 0.000 0.000) 0.000 10.075 ( -0.000 0.000 0.000) 0.000 10.407 ( -0.000 0.000 -0.000) 0.000 10.407 ( -0.000 0.000 0.000) 0.000 10.511 ( -0.000 0.000 0.000) 0.000 10.511 ( -0.000 0.000 0.000) 0.000 10.553 ( -0.000 0.000 0.000) 0.000 10.553 ( -0.000 0.000 0.000) 0.000 10.621 ( -0.000 0.000 0.000) 0.000 10.621 ( -0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/13824 10.0 4.152 3.029 5.854 0.000 0.645 0.000 3/13824 20.0 1.387 1.059 1.952 0.000 0.129 0.000 3/13824 30.0 0.791 0.630 1.110 0.000 0.062 0.000 3/13824 40.0 0.551 0.450 0.770 0.000 0.040 0.000 3/13824 50.0 0.425 0.351 0.591 0.000 0.030 0.000 3/13824 60.0 0.347 0.288 0.480 0.000 0.024 0.000 3/13824 70.0 0.294 0.245 0.405 0.000 0.020 0.000 3/13824 80.0 0.255 0.213 0.351 0.000 0.017 0.000 3/13824 90.0 0.226 0.189 0.310 0.000 0.015 0.000 3/13824 100.0 0.203 0.170 0.278 0.000 0.013 0.000 3/13824 110.0 0.184 0.154 0.252 0.000 0.012 0.000 3/13824 120.0 0.168 0.141 0.231 0.000 0.011 0.000 3/13824 130.0 0.155 0.131 0.213 0.000 0.010 0.000 3/13824 140.0 0.144 0.121 0.198 0.000 0.009 0.000 3/13824 150.0 0.135 0.113 0.184 0.000 0.008 0.000 3/13824 160.0 0.126 0.107 0.173 0.000 0.008 0.000 3/13824 170.0 0.119 0.100 0.163 0.000 0.007 0.000 3/13824 180.0 0.113 0.095 0.154 0.000 0.007 0.000 3/13824 190.0 0.107 0.090 0.146 0.000 0.006 0.000 3/13824 200.0 0.101 0.086 0.139 0.000 0.006 0.000 3/13824 210.0 0.097 0.082 0.132 0.000 0.006 0.000 3/13824 220.0 0.092 0.078 0.126 0.000 0.005 0.000 3/13824 230.0 0.088 0.075 0.121 0.000 0.005 0.000 3/13824 240.0 0.085 0.072 0.116 0.000 0.005 0.000 3/13824 250.0 0.081 0.069 0.112 0.000 0.005 0.000 3/13824 260.0 0.078 0.067 0.107 0.000 0.005 0.000 3/13824 270.0 0.076 0.064 0.104 0.000 0.004 0.000 3/13824 280.0 0.073 0.062 0.100 0.000 0.004 0.000 3/13824 290.0 0.070 0.060 0.097 0.000 0.004 0.000 3/13824 300.0 0.068 0.058 0.093 0.000 0.004 0.000 3/13824 310.0 0.066 0.056 0.091 0.000 0.004 0.000 3/13824 320.0 0.064 0.055 0.088 0.000 0.004 0.000 3/13824 330.0 0.062 0.053 0.085 0.000 0.004 0.000 3/13824 340.0 0.060 0.051 0.083 0.000 0.003 0.000 3/13824 350.0 0.059 0.050 0.080 0.000 0.003 0.000 3/13824 360.0 0.057 0.049 0.078 0.000 0.003 0.000 3/13824 370.0 0.056 0.047 0.076 0.000 0.003 0.000 3/13824 380.0 0.054 0.046 0.074 0.000 0.003 0.000 3/13824 390.0 0.053 0.045 0.072 0.000 0.003 0.000 3/13824 400.0 0.051 0.044 0.071 0.000 0.003 0.000 3/13824 410.0 0.050 0.043 0.069 0.000 0.003 0.000 3/13824 420.0 0.049 0.042 0.067 0.000 0.003 0.000 3/13824 430.0 0.048 0.041 0.066 0.000 0.003 0.000 3/13824 440.0 0.047 0.040 0.064 0.000 0.003 0.000 3/13824 450.0 0.046 0.039 0.063 0.000 0.003 0.000 3/13824 460.0 0.045 0.038 0.062 0.000 0.002 0.000 3/13824 470.0 0.044 0.038 0.060 0.000 0.002 0.000 3/13824 480.0 0.043 0.037 0.059 0.000 0.002 0.000 3/13824 490.0 0.042 0.036 0.058 0.000 0.002 0.000 3/13824 500.0 0.041 0.036 0.057 0.000 0.002 0.000 3/13824 510.0 0.041 0.035 0.056 0.000 0.002 0.000 3/13824 520.0 0.040 0.034 0.055 0.000 0.002 0.000 3/13824 530.0 0.039 0.034 0.054 0.000 0.002 0.000 3/13824 540.0 0.038 0.033 0.053 0.000 0.002 0.000 3/13824 550.0 0.038 0.032 0.052 0.000 0.002 0.000 3/13824 560.0 0.037 0.032 0.051 0.000 0.002 0.000 3/13824 570.0 0.036 0.031 0.050 0.000 0.002 0.000 3/13824 580.0 0.036 0.031 0.049 0.000 0.002 0.000 3/13824 590.0 0.035 0.030 0.049 0.000 0.002 0.000 3/13824 600.0 0.035 0.030 0.048 0.000 0.002 0.000 3/13824 610.0 0.034 0.029 0.047 0.000 0.002 0.000 3/13824 620.0 0.034 0.029 0.046 0.000 0.002 0.000 3/13824 630.0 0.033 0.028 0.046 0.000 0.002 0.000 3/13824 640.0 0.033 0.028 0.045 0.000 0.002 0.000 3/13824 650.0 0.032 0.028 0.044 0.000 0.002 0.000 3/13824 660.0 0.032 0.027 0.044 0.000 0.002 0.000 3/13824 670.0 0.031 0.027 0.043 0.000 0.002 0.000 3/13824 680.0 0.031 0.026 0.042 0.000 0.002 0.000 3/13824 690.0 0.030 0.026 0.042 0.000 0.002 0.000 3/13824 700.0 0.030 0.026 0.041 0.000 0.002 0.000 3/13824 710.0 0.029 0.025 0.041 0.000 0.002 0.000 3/13824 720.0 0.029 0.025 0.040 0.000 0.002 0.000 3/13824 730.0 0.029 0.025 0.039 0.000 0.002 0.000 3/13824 740.0 0.028 0.024 0.039 0.000 0.001 0.000 3/13824 750.0 0.028 0.024 0.038 0.000 0.001 0.000 3/13824 760.0 0.028 0.024 0.038 0.000 0.001 0.000 3/13824 770.0 0.027 0.023 0.037 0.000 0.001 0.000 3/13824 780.0 0.027 0.023 0.037 0.000 0.001 0.000 3/13824 790.0 0.026 0.023 0.037 0.000 0.001 0.000 3/13824 800.0 0.026 0.023 0.036 0.000 0.001 0.000 3/13824 810.0 0.026 0.022 0.036 0.000 0.001 0.000 3/13824 820.0 0.026 0.022 0.035 0.000 0.001 0.000 3/13824 830.0 0.025 0.022 0.035 0.000 0.001 0.000 3/13824 840.0 0.025 0.022 0.034 0.000 0.001 0.000 3/13824 850.0 0.025 0.021 0.034 0.000 0.001 0.000 3/13824 860.0 0.024 0.021 0.034 0.000 0.001 0.000 3/13824 870.0 0.024 0.021 0.033 0.000 0.001 0.000 3/13824 880.0 0.024 0.021 0.033 0.000 0.001 0.000 3/13824 890.0 0.024 0.020 0.033 0.000 0.001 0.000 3/13824 900.0 0.023 0.020 0.032 0.000 0.001 0.000 3/13824 910.0 0.023 0.020 0.032 0.000 0.001 0.000 3/13824 920.0 0.023 0.020 0.032 0.000 0.001 0.000 3/13824 930.0 0.023 0.020 0.031 0.000 0.001 0.000 3/13824 940.0 0.022 0.019 0.031 0.000 0.001 0.000 3/13824 950.0 0.022 0.019 0.031 0.000 0.001 0.000 3/13824 960.0 0.022 0.019 0.030 0.000 0.001 0.000 3/13824 970.0 0.022 0.019 0.030 0.000 0.001 0.000 3/13824 980.0 0.021 0.019 0.030 0.000 0.001 0.000 3/13824 990.0 0.021 0.018 0.029 0.000 0.001 0.000 3/13824 1000.0 0.021 0.018 0.029 0.000 0.001 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m684.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:27:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|