----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:00:34]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.526193200014233 0.000000000000000 0.000000000000000 b 0.000000000000000 6.090043220000000 0.000000000000000 c -3.442951000813279 0.000000000000000 5.788438530639795 Atomic positions (fractional): *1 Li 0.31443678252032 0.16499055719368 0.71548264174614 6.941 2 Li 0.68556321747968 0.66499055719368 0.78451735825386 6.941 3 Li 0.31443678252032 0.33500944280632 0.21548264174614 6.941 4 Li 0.68556321747968 0.83500944280632 0.28451735825386 6.941 *5 Nd 0.22308926286476 0.86393569351140 0.26019135765605 144.242 6 Nd 0.22308926286476 0.63606430648860 0.76019135765605 144.242 7 Nd 0.77691073713523 0.36393569351140 0.23980864234395 144.242 8 Nd 0.77691073713523 0.13606430648860 0.73980864234395 144.242 *9 O 0.03079631740918 0.19620527045997 0.14359731360548 15.999 10 O 0.03079631740918 0.30379472954003 0.64359731360548 15.999 *11 O 0.44671243615054 0.89507275476895 0.68061746686433 15.999 12 O 0.55328756384946 0.39507275476895 0.81938253313567 15.999 13 O 0.44671243615054 0.60492724523105 0.18061746686433 15.999 14 O 0.55328756384946 0.10492724523105 0.31938253313567 15.999 15 O 0.96920368259082 0.69620527045997 0.35640268639452 15.999 16 O 0.96920368259082 0.80379472954003 0.85640268639452 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.526193200014233 0.000000000000000 0.000000000000000 b 0.000000000000000 6.090043220000000 0.000000000000000 c -3.442951000813279 0.000000000000000 5.788438530639795 Atomic positions (fractional): *1 Li 0.31443678252032 0.16499055719368 0.71548264174614 6.941 > 1 2 Li 0.68556321747968 0.66499055719368 0.78451735825386 6.941 > 2 3 Li 0.31443678252032 0.33500944280632 0.21548264174614 6.941 > 3 4 Li 0.68556321747968 0.83500944280632 0.28451735825386 6.941 > 4 *5 Nd 0.22308926286476 0.86393569351140 0.26019135765605 144.242 > 5 6 Nd 0.22308926286476 0.63606430648860 0.76019135765605 144.242 > 6 7 Nd 0.77691073713523 0.36393569351140 0.23980864234395 144.242 > 7 8 Nd 0.77691073713523 0.13606430648860 0.73980864234395 144.242 > 8 *9 O 0.03079631740918 0.19620527045997 0.14359731360548 15.999 > 9 10 O 0.03079631740918 0.30379472954003 0.64359731360548 15.999 > 10 *11 O 0.44671243615054 0.89507275476895 0.68061746686433 15.999 > 11 12 O 0.55328756384946 0.39507275476895 0.81938253313567 15.999 > 12 13 O 0.44671243615054 0.60492724523105 0.18061746686433 15.999 > 13 14 O 0.55328756384946 0.10492724523105 0.31938253313567 15.999 > 14 15 O 0.96920368259082 0.69620527045997 0.35640268639452 15.999 > 15 16 O 0.96920368259082 0.80379472954003 0.85640268639452 15.999 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.052386400028466 0.000000000000000 0.000000000000000 b 0.000000000000000 12.180086440000000 0.000000000000000 c -6.885902001626558 0.000000000000000 11.576877061279591 Atomic positions (fractional): *1 Li 0.15721839126016 0.08249527859684 0.35774132087307 6.941 > 1 2 Li 0.65721839126016 0.08249527859684 0.35774132087307 6.941 > 1 3 Li 0.15721839126016 0.58249527859684 0.35774132087307 6.941 > 1 4 Li 0.65721839126016 0.58249527859684 0.35774132087307 6.941 > 1 5 Li 0.15721839126016 0.08249527859684 0.85774132087307 6.941 > 1 6 Li 0.65721839126016 0.08249527859684 0.85774132087307 6.941 > 1 7 Li 0.15721839126016 0.58249527859684 0.85774132087307 6.941 > 1 8 Li 0.65721839126016 0.58249527859684 0.85774132087307 6.941 > 1 9 Li 0.34278160873984 0.33249527859684 0.39225867912693 6.941 > 2 10 Li 0.84278160873984 0.33249527859684 0.39225867912693 6.941 > 2 11 Li 0.34278160873984 0.83249527859684 0.39225867912693 6.941 > 2 12 Li 0.84278160873984 0.83249527859684 0.39225867912693 6.941 > 2 13 Li 0.34278160873984 0.33249527859684 0.89225867912693 6.941 > 2 14 Li 0.84278160873984 0.33249527859684 0.89225867912693 6.941 > 2 15 Li 0.34278160873984 0.83249527859684 0.89225867912693 6.941 > 2 16 Li 0.84278160873984 0.83249527859684 0.89225867912693 6.941 > 2 17 Li 0.15721839126016 0.16750472140316 0.10774132087307 6.941 > 3 18 Li 0.65721839126016 0.16750472140316 0.10774132087307 6.941 > 3 19 Li 0.15721839126016 0.66750472140316 0.10774132087307 6.941 > 3 20 Li 0.65721839126016 0.66750472140316 0.10774132087307 6.941 > 3 21 Li 0.15721839126016 0.16750472140316 0.60774132087307 6.941 > 3 22 Li 0.65721839126016 0.16750472140316 0.60774132087307 6.941 > 3 23 Li 0.15721839126016 0.66750472140316 0.60774132087307 6.941 > 3 24 Li 0.65721839126016 0.66750472140316 0.60774132087307 6.941 > 3 25 Li 0.34278160873984 0.41750472140316 0.14225867912693 6.941 > 4 26 Li 0.84278160873984 0.41750472140316 0.14225867912693 6.941 > 4 27 Li 0.34278160873984 0.91750472140316 0.14225867912693 6.941 > 4 28 Li 0.84278160873984 0.91750472140316 0.14225867912693 6.941 > 4 29 Li 0.34278160873984 0.41750472140316 0.64225867912693 6.941 > 4 30 Li 0.84278160873984 0.41750472140316 0.64225867912693 6.941 > 4 31 Li 0.34278160873984 0.91750472140316 0.64225867912693 6.941 > 4 32 Li 0.84278160873984 0.91750472140316 0.64225867912693 6.941 > 4 *33 Nd 0.11154463143238 0.43196784675570 0.13009567882803 144.242 > 5 34 Nd 0.61154463143238 0.43196784675570 0.13009567882803 144.242 > 5 35 Nd 0.11154463143238 0.93196784675570 0.13009567882803 144.242 > 5 36 Nd 0.61154463143238 0.93196784675570 0.13009567882803 144.242 > 5 37 Nd 0.11154463143238 0.43196784675570 0.63009567882802 144.242 > 5 38 Nd 0.61154463143238 0.43196784675570 0.63009567882802 144.242 > 5 39 Nd 0.11154463143238 0.93196784675570 0.63009567882802 144.242 > 5 40 Nd 0.61154463143238 0.93196784675570 0.63009567882802 144.242 > 5 41 Nd 0.11154463143238 0.31803215324430 0.38009567882802 144.242 > 6 42 Nd 0.61154463143238 0.31803215324430 0.38009567882802 144.242 > 6 43 Nd 0.11154463143238 0.81803215324430 0.38009567882802 144.242 > 6 44 Nd 0.61154463143238 0.81803215324430 0.38009567882802 144.242 > 6 45 Nd 0.11154463143238 0.31803215324430 0.88009567882802 144.242 > 6 46 Nd 0.61154463143238 0.31803215324430 0.88009567882802 144.242 > 6 47 Nd 0.11154463143238 0.81803215324430 0.88009567882802 144.242 > 6 48 Nd 0.61154463143238 0.81803215324430 0.88009567882802 144.242 > 6 49 Nd 0.38845536856762 0.18196784675570 0.11990432117197 144.242 > 7 50 Nd 0.88845536856762 0.18196784675570 0.11990432117197 144.242 > 7 51 Nd 0.38845536856762 0.68196784675570 0.11990432117197 144.242 > 7 52 Nd 0.88845536856762 0.68196784675570 0.11990432117197 144.242 > 7 53 Nd 0.38845536856762 0.18196784675570 0.61990432117198 144.242 > 7 54 Nd 0.88845536856762 0.18196784675570 0.61990432117198 144.242 > 7 55 Nd 0.38845536856762 0.68196784675570 0.61990432117198 144.242 > 7 56 Nd 0.88845536856762 0.68196784675570 0.61990432117198 144.242 > 7 57 Nd 0.38845536856762 0.06803215324430 0.36990432117198 144.242 > 8 58 Nd 0.88845536856762 0.06803215324430 0.36990432117198 144.242 > 8 59 Nd 0.38845536856762 0.56803215324430 0.36990432117198 144.242 > 8 60 Nd 0.88845536856762 0.56803215324430 0.36990432117198 144.242 > 8 61 Nd 0.38845536856762 0.06803215324430 0.86990432117198 144.242 > 8 62 Nd 0.88845536856762 0.06803215324430 0.86990432117198 144.242 > 8 63 Nd 0.38845536856762 0.56803215324430 0.86990432117198 144.242 > 8 64 Nd 0.88845536856762 0.56803215324430 0.86990432117198 144.242 > 8 *65 O 0.01539815870459 0.09810263522999 0.07179865680274 15.999 > 9 66 O 0.51539815870459 0.09810263522999 0.07179865680274 15.999 > 9 67 O 0.01539815870459 0.59810263522999 0.07179865680274 15.999 > 9 68 O 0.51539815870459 0.59810263522999 0.07179865680274 15.999 > 9 69 O 0.01539815870459 0.09810263522999 0.57179865680274 15.999 > 9 70 O 0.51539815870459 0.09810263522999 0.57179865680274 15.999 > 9 71 O 0.01539815870459 0.59810263522999 0.57179865680274 15.999 > 9 72 O 0.51539815870459 0.59810263522999 0.57179865680274 15.999 > 9 73 O 0.01539815870459 0.15189736477001 0.32179865680274 15.999 > 10 74 O 0.51539815870459 0.15189736477001 0.32179865680274 15.999 > 10 75 O 0.01539815870459 0.65189736477001 0.32179865680274 15.999 > 10 76 O 0.51539815870459 0.65189736477001 0.32179865680274 15.999 > 10 77 O 0.01539815870459 0.15189736477001 0.82179865680274 15.999 > 10 78 O 0.51539815870459 0.15189736477001 0.82179865680274 15.999 > 10 79 O 0.01539815870459 0.65189736477001 0.82179865680274 15.999 > 10 80 O 0.51539815870459 0.65189736477001 0.82179865680274 15.999 > 10 *81 O 0.22335621807527 0.44753637738448 0.34030873343216 15.999 > 11 82 O 0.72335621807527 0.44753637738448 0.34030873343216 15.999 > 11 83 O 0.22335621807527 0.94753637738448 0.34030873343216 15.999 > 11 84 O 0.72335621807527 0.94753637738448 0.34030873343216 15.999 > 11 85 O 0.22335621807527 0.44753637738448 0.84030873343216 15.999 > 11 86 O 0.72335621807527 0.44753637738448 0.84030873343216 15.999 > 11 87 O 0.22335621807527 0.94753637738448 0.84030873343216 15.999 > 11 88 O 0.72335621807527 0.94753637738448 0.84030873343216 15.999 > 11 89 O 0.27664378192473 0.19753637738448 0.40969126656784 15.999 > 12 90 O 0.77664378192473 0.19753637738448 0.40969126656784 15.999 > 12 91 O 0.27664378192473 0.69753637738448 0.40969126656784 15.999 > 12 92 O 0.77664378192473 0.69753637738448 0.40969126656784 15.999 > 12 93 O 0.27664378192473 0.19753637738448 0.90969126656784 15.999 > 12 94 O 0.77664378192473 0.19753637738448 0.90969126656784 15.999 > 12 95 O 0.27664378192473 0.69753637738448 0.90969126656784 15.999 > 12 96 O 0.77664378192473 0.69753637738448 0.90969126656784 15.999 > 12 97 O 0.22335621807527 0.30246362261552 0.09030873343216 15.999 > 13 98 O 0.72335621807527 0.30246362261552 0.09030873343216 15.999 > 13 99 O 0.22335621807527 0.80246362261552 0.09030873343216 15.999 > 13 100 O 0.72335621807527 0.80246362261552 0.09030873343216 15.999 > 13 101 O 0.22335621807527 0.30246362261552 0.59030873343216 15.999 > 13 102 O 0.72335621807527 0.30246362261552 0.59030873343216 15.999 > 13 103 O 0.22335621807527 0.80246362261552 0.59030873343216 15.999 > 13 104 O 0.72335621807527 0.80246362261552 0.59030873343216 15.999 > 13 105 O 0.27664378192473 0.05246362261552 0.15969126656784 15.999 > 14 106 O 0.77664378192473 0.05246362261552 0.15969126656784 15.999 > 14 107 O 0.27664378192473 0.55246362261552 0.15969126656784 15.999 > 14 108 O 0.77664378192473 0.55246362261552 0.15969126656784 15.999 > 14 109 O 0.27664378192473 0.05246362261552 0.65969126656784 15.999 > 14 110 O 0.77664378192473 0.05246362261552 0.65969126656784 15.999 > 14 111 O 0.27664378192473 0.55246362261552 0.65969126656784 15.999 > 14 112 O 0.77664378192473 0.55246362261552 0.65969126656784 15.999 > 14 113 O 0.48460184129541 0.34810263522999 0.17820134319726 15.999 > 15 114 O 0.98460184129541 0.34810263522999 0.17820134319726 15.999 > 15 115 O 0.48460184129541 0.84810263522999 0.17820134319726 15.999 > 15 116 O 0.98460184129541 0.84810263522999 0.17820134319726 15.999 > 15 117 O 0.48460184129541 0.34810263522999 0.67820134319726 15.999 > 15 118 O 0.98460184129541 0.34810263522999 0.67820134319726 15.999 > 15 119 O 0.48460184129541 0.84810263522999 0.67820134319726 15.999 > 15 120 O 0.98460184129541 0.84810263522999 0.67820134319726 15.999 > 15 121 O 0.48460184129541 0.40189736477001 0.42820134319726 15.999 > 16 122 O 0.98460184129541 0.40189736477001 0.42820134319726 15.999 > 16 123 O 0.48460184129541 0.90189736477001 0.42820134319726 15.999 > 16 124 O 0.98460184129541 0.90189736477001 0.42820134319726 15.999 > 16 125 O 0.48460184129541 0.40189736477001 0.92820134319726 15.999 > 16 126 O 0.98460184129541 0.40189736477001 0.92820134319726 15.999 > 16 127 O 0.48460184129541 0.90189736477001 0.92820134319726 15.999 > 16 128 O 0.98460184129541 0.90189736477001 0.92820134319726 15.999 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9146951 0.0000000 -0.0338264 0.0000000 3.8580506 0.0000000 -0.0338265 0.0000000 3.9943641 -------------------------- Born effective charges -------------------------- 1 Li 0.9970102 -0.0753254 0.0540916 -0.0988087 0.9927114 0.0784877 0.0573361 0.0995160 0.8746586 2 Li 0.9970102 0.0753254 0.0540916 0.0988087 0.9927114 -0.0784877 0.0573361 -0.0995160 0.8746586 3 Li 0.9970102 0.0753254 0.0540916 0.0988087 0.9927114 -0.0784877 0.0573361 -0.0995160 0.8746586 4 Li 0.9970102 -0.0753254 0.0540916 -0.0988087 0.9927114 0.0784877 0.0573361 0.0995160 0.8746586 5 Nd 3.8532903 -0.1623402 -0.0298404 0.2148329 3.6315450 -0.0976909 0.0041434 0.0481812 3.7774112 6 Nd 3.8532903 0.1623402 -0.0298404 -0.2148329 3.6315450 0.0976909 0.0041434 -0.0481812 3.7774112 7 Nd 3.8532903 0.1623402 -0.0298404 -0.2148329 3.6315450 0.0976909 0.0041434 -0.0481812 3.7774112 8 Nd 3.8532903 -0.1623402 -0.0298404 0.2148329 3.6315450 -0.0976909 0.0041434 0.0481812 3.7774112 9 O -2.3538958 0.9321620 -0.0276588 0.7968436 -2.4346892 0.0330509 -0.0258634 -0.0244917 -2.3979909 10 O -2.3538958 -0.9321620 -0.0276588 -0.7968436 -2.4346892 -0.0330509 -0.0258634 0.0244917 -2.3979909 11 O -2.4964047 -0.7962960 0.0034076 -0.8660843 -2.1895671 0.0913474 -0.0356161 0.0321785 -2.2540789 12 O -2.4964047 0.7962960 0.0034076 0.8660843 -2.1895671 -0.0913474 -0.0356161 -0.0321785 -2.2540789 13 O -2.4964047 0.7962960 0.0034076 0.8660843 -2.1895671 -0.0913474 -0.0356161 -0.0321785 -2.2540789 14 O -2.4964047 -0.7962960 0.0034076 -0.8660843 -2.1895671 0.0913474 -0.0356161 0.0321785 -2.2540789 15 O -2.3538958 -0.9321620 -0.0276588 -0.7968436 -2.4346892 -0.0330509 -0.0258634 0.0244917 -2.3979909 16 O -2.3538958 0.9321620 -0.0276588 0.7968436 -2.4346892 0.0330509 -0.0258634 -0.0244917 -2.3979909 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.873 Solver_block: 200 / 480 - Time: 0.768 Solver_block: 300 / 480 - Time: 0.752 Solver_block: 400 / 480 - Time: 0.777 Solver_block: 480 / 480 - Time: 0.640 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.912 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 9696/9696 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2400 Number of blocks in projector: 2400 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: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 243 eigenvectors found. (2) Block: 512 / 512 (2) 257 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 5 eigenvectors found. (1) 505 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 512 Use submatrix version of eigh solver. (1) Block: 512 / 512 (2) Block: 250 / 512 (2) 242 eigenvectors found. (2) Block: 512 / 512 (2) 254 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 504 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 288 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 288 Use standard eigh solver. Tree of FC basis block matrices: - (2400, 2365), data: False |-- (288, 284), data: True |-- (288, 284), data: True |-- (288, 284), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True |-- (512, 505), data: False |-- (512, 505), data: False |-- (512, 5), data: (512, 12) @ (12, 5) |-- (262, 257), data: True |-- (250, 243), data: True |-- (512, 504), data: False |-- (512, 504), data: False |-- (512, 8), data: (512, 16) @ (16, 8) |-- (262, 254), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:01:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:01:02]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.526193200014233 0.000000000000000 0.000000000000000 b 0.000000000000000 6.090043220000000 0.000000000000000 c -3.442951000813279 0.000000000000000 5.788438530639795 Atomic positions (fractional): 1 Li 0.31443678252032 0.16499055719368 0.71548264174614 6.941 2 Li 0.68556321747968 0.66499055719368 0.78451735825386 6.941 3 Li 0.31443678252032 0.33500944280632 0.21548264174614 6.941 4 Li 0.68556321747968 0.83500944280632 0.28451735825386 6.941 5 Nd 0.22308926286476 0.86393569351140 0.26019135765605 144.242 6 Nd 0.22308926286476 0.63606430648860 0.76019135765605 144.242 7 Nd 0.77691073713523 0.36393569351140 0.23980864234395 144.242 8 Nd 0.77691073713523 0.13606430648860 0.73980864234395 144.242 9 O 0.03079631740918 0.19620527045997 0.14359731360548 15.999 10 O 0.03079631740918 0.30379472954003 0.64359731360548 15.999 11 O 0.44671243615054 0.89507275476895 0.68061746686433 15.999 12 O 0.55328756384946 0.39507275476895 0.81938253313567 15.999 13 O 0.44671243615054 0.60492724523105 0.18061746686433 15.999 14 O 0.55328756384946 0.10492724523105 0.31938253313567 15.999 15 O 0.96920368259082 0.69620527045997 0.35640268639452 15.999 16 O 0.96920368259082 0.80379472954003 0.85640268639452 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.052386400028466 0.000000000000000 0.000000000000000 b 0.000000000000000 12.180086440000000 0.000000000000000 c -6.885902001626558 0.000000000000000 11.576877061279591 Atomic positions (fractional): 1 Li 0.15721839126016 0.08249527859684 0.35774132087307 6.941 > 1 2 Li 0.65721839126016 0.08249527859684 0.35774132087307 6.941 > 1 3 Li 0.15721839126016 0.58249527859684 0.35774132087307 6.941 > 1 4 Li 0.65721839126016 0.58249527859684 0.35774132087307 6.941 > 1 5 Li 0.15721839126016 0.08249527859684 0.85774132087307 6.941 > 1 6 Li 0.65721839126016 0.08249527859684 0.85774132087307 6.941 > 1 7 Li 0.15721839126016 0.58249527859684 0.85774132087307 6.941 > 1 8 Li 0.65721839126016 0.58249527859684 0.85774132087307 6.941 > 1 9 Li 0.34278160873984 0.33249527859684 0.39225867912693 6.941 > 9 10 Li 0.84278160873984 0.33249527859684 0.39225867912693 6.941 > 9 11 Li 0.34278160873984 0.83249527859684 0.39225867912693 6.941 > 9 12 Li 0.84278160873984 0.83249527859684 0.39225867912693 6.941 > 9 13 Li 0.34278160873984 0.33249527859684 0.89225867912693 6.941 > 9 14 Li 0.84278160873984 0.33249527859684 0.89225867912693 6.941 > 9 15 Li 0.34278160873984 0.83249527859684 0.89225867912693 6.941 > 9 16 Li 0.84278160873984 0.83249527859684 0.89225867912693 6.941 > 9 17 Li 0.15721839126016 0.16750472140316 0.10774132087307 6.941 > 17 18 Li 0.65721839126016 0.16750472140316 0.10774132087307 6.941 > 17 19 Li 0.15721839126016 0.66750472140316 0.10774132087307 6.941 > 17 20 Li 0.65721839126016 0.66750472140316 0.10774132087307 6.941 > 17 21 Li 0.15721839126016 0.16750472140316 0.60774132087307 6.941 > 17 22 Li 0.65721839126016 0.16750472140316 0.60774132087307 6.941 > 17 23 Li 0.15721839126016 0.66750472140316 0.60774132087307 6.941 > 17 24 Li 0.65721839126016 0.66750472140316 0.60774132087307 6.941 > 17 25 Li 0.34278160873984 0.41750472140316 0.14225867912693 6.941 > 25 26 Li 0.84278160873984 0.41750472140316 0.14225867912693 6.941 > 25 27 Li 0.34278160873984 0.91750472140316 0.14225867912693 6.941 > 25 28 Li 0.84278160873984 0.91750472140316 0.14225867912693 6.941 > 25 29 Li 0.34278160873984 0.41750472140316 0.64225867912693 6.941 > 25 30 Li 0.84278160873984 0.41750472140316 0.64225867912693 6.941 > 25 31 Li 0.34278160873984 0.91750472140316 0.64225867912693 6.941 > 25 32 Li 0.84278160873984 0.91750472140316 0.64225867912693 6.941 > 25 33 Nd 0.11154463143238 0.43196784675570 0.13009567882803 144.242 > 33 34 Nd 0.61154463143238 0.43196784675570 0.13009567882803 144.242 > 33 35 Nd 0.11154463143238 0.93196784675570 0.13009567882803 144.242 > 33 36 Nd 0.61154463143238 0.93196784675570 0.13009567882803 144.242 > 33 37 Nd 0.11154463143238 0.43196784675570 0.63009567882802 144.242 > 33 38 Nd 0.61154463143238 0.43196784675570 0.63009567882802 144.242 > 33 39 Nd 0.11154463143238 0.93196784675570 0.63009567882802 144.242 > 33 40 Nd 0.61154463143238 0.93196784675570 0.63009567882802 144.242 > 33 41 Nd 0.11154463143238 0.31803215324430 0.38009567882802 144.242 > 41 42 Nd 0.61154463143238 0.31803215324430 0.38009567882802 144.242 > 41 43 Nd 0.11154463143238 0.81803215324430 0.38009567882802 144.242 > 41 44 Nd 0.61154463143238 0.81803215324430 0.38009567882802 144.242 > 41 45 Nd 0.11154463143238 0.31803215324430 0.88009567882802 144.242 > 41 46 Nd 0.61154463143238 0.31803215324430 0.88009567882802 144.242 > 41 47 Nd 0.11154463143238 0.81803215324430 0.88009567882802 144.242 > 41 48 Nd 0.61154463143238 0.81803215324430 0.88009567882802 144.242 > 41 49 Nd 0.38845536856762 0.18196784675570 0.11990432117197 144.242 > 49 50 Nd 0.88845536856762 0.18196784675570 0.11990432117197 144.242 > 49 51 Nd 0.38845536856762 0.68196784675570 0.11990432117197 144.242 > 49 52 Nd 0.88845536856762 0.68196784675570 0.11990432117197 144.242 > 49 53 Nd 0.38845536856762 0.18196784675570 0.61990432117198 144.242 > 49 54 Nd 0.88845536856762 0.18196784675570 0.61990432117198 144.242 > 49 55 Nd 0.38845536856762 0.68196784675570 0.61990432117198 144.242 > 49 56 Nd 0.88845536856762 0.68196784675570 0.61990432117198 144.242 > 49 57 Nd 0.38845536856762 0.06803215324430 0.36990432117198 144.242 > 57 58 Nd 0.88845536856762 0.06803215324430 0.36990432117198 144.242 > 57 59 Nd 0.38845536856762 0.56803215324430 0.36990432117198 144.242 > 57 60 Nd 0.88845536856762 0.56803215324430 0.36990432117198 144.242 > 57 61 Nd 0.38845536856762 0.06803215324430 0.86990432117198 144.242 > 57 62 Nd 0.88845536856762 0.06803215324430 0.86990432117198 144.242 > 57 63 Nd 0.38845536856762 0.56803215324430 0.86990432117198 144.242 > 57 64 Nd 0.88845536856762 0.56803215324430 0.86990432117198 144.242 > 57 65 O 0.01539815870459 0.09810263522999 0.07179865680274 15.999 > 65 66 O 0.51539815870459 0.09810263522999 0.07179865680274 15.999 > 65 67 O 0.01539815870459 0.59810263522999 0.07179865680274 15.999 > 65 68 O 0.51539815870459 0.59810263522999 0.07179865680274 15.999 > 65 69 O 0.01539815870459 0.09810263522999 0.57179865680274 15.999 > 65 70 O 0.51539815870459 0.09810263522999 0.57179865680274 15.999 > 65 71 O 0.01539815870459 0.59810263522999 0.57179865680274 15.999 > 65 72 O 0.51539815870459 0.59810263522999 0.57179865680274 15.999 > 65 73 O 0.01539815870459 0.15189736477001 0.32179865680274 15.999 > 73 74 O 0.51539815870459 0.15189736477001 0.32179865680274 15.999 > 73 75 O 0.01539815870459 0.65189736477001 0.32179865680274 15.999 > 73 76 O 0.51539815870459 0.65189736477001 0.32179865680274 15.999 > 73 77 O 0.01539815870459 0.15189736477001 0.82179865680274 15.999 > 73 78 O 0.51539815870459 0.15189736477001 0.82179865680274 15.999 > 73 79 O 0.01539815870459 0.65189736477001 0.82179865680274 15.999 > 73 80 O 0.51539815870459 0.65189736477001 0.82179865680274 15.999 > 73 81 O 0.22335621807527 0.44753637738448 0.34030873343216 15.999 > 81 82 O 0.72335621807527 0.44753637738448 0.34030873343216 15.999 > 81 83 O 0.22335621807527 0.94753637738448 0.34030873343216 15.999 > 81 84 O 0.72335621807527 0.94753637738448 0.34030873343216 15.999 > 81 85 O 0.22335621807527 0.44753637738448 0.84030873343216 15.999 > 81 86 O 0.72335621807527 0.44753637738448 0.84030873343216 15.999 > 81 87 O 0.22335621807527 0.94753637738448 0.84030873343216 15.999 > 81 88 O 0.72335621807527 0.94753637738448 0.84030873343216 15.999 > 81 89 O 0.27664378192473 0.19753637738448 0.40969126656784 15.999 > 89 90 O 0.77664378192473 0.19753637738448 0.40969126656784 15.999 > 89 91 O 0.27664378192473 0.69753637738448 0.40969126656784 15.999 > 89 92 O 0.77664378192473 0.69753637738448 0.40969126656784 15.999 > 89 93 O 0.27664378192473 0.19753637738448 0.90969126656784 15.999 > 89 94 O 0.77664378192473 0.19753637738448 0.90969126656784 15.999 > 89 95 O 0.27664378192473 0.69753637738448 0.90969126656784 15.999 > 89 96 O 0.77664378192473 0.69753637738448 0.90969126656784 15.999 > 89 97 O 0.22335621807527 0.30246362261552 0.09030873343216 15.999 > 97 98 O 0.72335621807527 0.30246362261552 0.09030873343216 15.999 > 97 99 O 0.22335621807527 0.80246362261552 0.09030873343216 15.999 > 97 100 O 0.72335621807527 0.80246362261552 0.09030873343216 15.999 > 97 101 O 0.22335621807527 0.30246362261552 0.59030873343216 15.999 > 97 102 O 0.72335621807527 0.30246362261552 0.59030873343216 15.999 > 97 103 O 0.22335621807527 0.80246362261552 0.59030873343216 15.999 > 97 104 O 0.72335621807527 0.80246362261552 0.59030873343216 15.999 > 97 105 O 0.27664378192473 0.05246362261552 0.15969126656784 15.999 > 105 106 O 0.77664378192473 0.05246362261552 0.15969126656784 15.999 > 105 107 O 0.27664378192473 0.55246362261552 0.15969126656784 15.999 > 105 108 O 0.77664378192473 0.55246362261552 0.15969126656784 15.999 > 105 109 O 0.27664378192473 0.05246362261552 0.65969126656784 15.999 > 105 110 O 0.77664378192473 0.05246362261552 0.65969126656784 15.999 > 105 111 O 0.27664378192473 0.55246362261552 0.65969126656784 15.999 > 105 112 O 0.77664378192473 0.55246362261552 0.65969126656784 15.999 > 105 113 O 0.48460184129541 0.34810263522999 0.17820134319726 15.999 > 113 114 O 0.98460184129541 0.34810263522999 0.17820134319726 15.999 > 113 115 O 0.48460184129541 0.84810263522999 0.17820134319726 15.999 > 113 116 O 0.98460184129541 0.84810263522999 0.17820134319726 15.999 > 113 117 O 0.48460184129541 0.34810263522999 0.67820134319726 15.999 > 113 118 O 0.98460184129541 0.34810263522999 0.67820134319726 15.999 > 113 119 O 0.48460184129541 0.84810263522999 0.67820134319726 15.999 > 113 120 O 0.98460184129541 0.84810263522999 0.67820134319726 15.999 > 113 121 O 0.48460184129541 0.40189736477001 0.42820134319726 15.999 > 121 122 O 0.98460184129541 0.40189736477001 0.42820134319726 15.999 > 121 123 O 0.48460184129541 0.90189736477001 0.42820134319726 15.999 > 121 124 O 0.98460184129541 0.90189736477001 0.42820134319726 15.999 > 121 125 O 0.48460184129541 0.40189736477001 0.92820134319726 15.999 > 121 126 O 0.98460184129541 0.40189736477001 0.92820134319726 15.999 > 121 127 O 0.48460184129541 0.90189736477001 0.92820134319726 15.999 > 121 128 O 0.98460184129541 0.90189736477001 0.92820134319726 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9146951 0.0000000 -0.0338264 0.0000000 3.8580506 0.0000000 -0.0338265 0.0000000 3.9943641 -------------------------- Born effective charges -------------------------- 1 Li 0.9970102 -0.0753254 0.0540916 -0.0988087 0.9927114 0.0784877 0.0573361 0.0995160 0.8746586 2 Li 0.9970102 0.0753254 0.0540916 0.0988087 0.9927114 -0.0784877 0.0573361 -0.0995160 0.8746586 3 Li 0.9970102 0.0753254 0.0540916 0.0988087 0.9927114 -0.0784877 0.0573361 -0.0995160 0.8746586 4 Li 0.9970102 -0.0753254 0.0540916 -0.0988087 0.9927114 0.0784877 0.0573361 0.0995160 0.8746586 5 Nd 3.8532903 -0.1623402 -0.0298404 0.2148329 3.6315450 -0.0976909 0.0041434 0.0481812 3.7774112 6 Nd 3.8532903 0.1623402 -0.0298404 -0.2148329 3.6315450 0.0976909 0.0041434 -0.0481812 3.7774112 7 Nd 3.8532903 0.1623402 -0.0298404 -0.2148329 3.6315450 0.0976909 0.0041434 -0.0481812 3.7774112 8 Nd 3.8532903 -0.1623402 -0.0298404 0.2148329 3.6315450 -0.0976909 0.0041434 0.0481812 3.7774112 9 O -2.3538958 0.9321620 -0.0276588 0.7968436 -2.4346892 0.0330509 -0.0258634 -0.0244917 -2.3979909 10 O -2.3538958 -0.9321620 -0.0276588 -0.7968436 -2.4346892 -0.0330509 -0.0258634 0.0244917 -2.3979909 11 O -2.4964047 -0.7962960 0.0034076 -0.8660843 -2.1895671 0.0913474 -0.0356161 0.0321785 -2.2540789 12 O -2.4964047 0.7962960 0.0034076 0.8660843 -2.1895671 -0.0913474 -0.0356161 -0.0321785 -2.2540789 13 O -2.4964047 0.7962960 0.0034076 0.8660843 -2.1895671 -0.0913474 -0.0356161 -0.0321785 -2.2540789 14 O -2.4964047 -0.7962960 0.0034076 -0.8660843 -2.1895671 0.0913474 -0.0356161 0.0321785 -2.2540789 15 O -2.3538958 -0.9321620 -0.0276588 -0.7968436 -2.4346892 -0.0330509 -0.0258634 0.0244917 -2.3979909 16 O -2.3538958 0.9321620 -0.0276588 0.7968436 -2.4346892 0.0330509 -0.0258634 -0.0244917 -2.3979909 ---------------------------------------------------------------------------- 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] 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] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (zy) 0.00000003 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:01:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:01:25]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.526193200014233 0.000000000000000 0.000000000000000 b 0.000000000000000 6.090043220000000 0.000000000000000 c -3.442951000813279 0.000000000000000 5.788438530639795 Atomic positions (fractional): 1 Li 0.31443678252032 0.16499055719368 0.71548264174614 6.941 2 Li 0.68556321747968 0.66499055719368 0.78451735825386 6.941 3 Li 0.31443678252032 0.33500944280632 0.21548264174614 6.941 4 Li 0.68556321747968 0.83500944280632 0.28451735825386 6.941 5 Nd 0.22308926286476 0.86393569351140 0.26019135765605 144.242 6 Nd 0.22308926286476 0.63606430648860 0.76019135765605 144.242 7 Nd 0.77691073713523 0.36393569351140 0.23980864234395 144.242 8 Nd 0.77691073713523 0.13606430648860 0.73980864234395 144.242 9 O 0.03079631740918 0.19620527045997 0.14359731360548 15.999 10 O 0.03079631740918 0.30379472954003 0.64359731360548 15.999 11 O 0.44671243615054 0.89507275476895 0.68061746686433 15.999 12 O 0.55328756384946 0.39507275476895 0.81938253313567 15.999 13 O 0.44671243615054 0.60492724523105 0.18061746686433 15.999 14 O 0.55328756384946 0.10492724523105 0.31938253313567 15.999 15 O 0.96920368259082 0.69620527045997 0.35640268639452 15.999 16 O 0.96920368259082 0.80379472954003 0.85640268639452 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.052386400028466 0.000000000000000 0.000000000000000 b 0.000000000000000 12.180086440000000 0.000000000000000 c -6.885902001626558 0.000000000000000 11.576877061279591 Atomic positions (fractional): 1 Li 0.15721839126016 0.08249527859684 0.35774132087307 6.941 > 1 2 Li 0.65721839126016 0.08249527859684 0.35774132087307 6.941 > 1 3 Li 0.15721839126016 0.58249527859684 0.35774132087307 6.941 > 1 4 Li 0.65721839126016 0.58249527859684 0.35774132087307 6.941 > 1 5 Li 0.15721839126016 0.08249527859684 0.85774132087307 6.941 > 1 6 Li 0.65721839126016 0.08249527859684 0.85774132087307 6.941 > 1 7 Li 0.15721839126016 0.58249527859684 0.85774132087307 6.941 > 1 8 Li 0.65721839126016 0.58249527859684 0.85774132087307 6.941 > 1 9 Li 0.34278160873984 0.33249527859684 0.39225867912693 6.941 > 9 10 Li 0.84278160873984 0.33249527859684 0.39225867912693 6.941 > 9 11 Li 0.34278160873984 0.83249527859684 0.39225867912693 6.941 > 9 12 Li 0.84278160873984 0.83249527859684 0.39225867912693 6.941 > 9 13 Li 0.34278160873984 0.33249527859684 0.89225867912693 6.941 > 9 14 Li 0.84278160873984 0.33249527859684 0.89225867912693 6.941 > 9 15 Li 0.34278160873984 0.83249527859684 0.89225867912693 6.941 > 9 16 Li 0.84278160873984 0.83249527859684 0.89225867912693 6.941 > 9 17 Li 0.15721839126016 0.16750472140316 0.10774132087307 6.941 > 17 18 Li 0.65721839126016 0.16750472140316 0.10774132087307 6.941 > 17 19 Li 0.15721839126016 0.66750472140316 0.10774132087307 6.941 > 17 20 Li 0.65721839126016 0.66750472140316 0.10774132087307 6.941 > 17 21 Li 0.15721839126016 0.16750472140316 0.60774132087307 6.941 > 17 22 Li 0.65721839126016 0.16750472140316 0.60774132087307 6.941 > 17 23 Li 0.15721839126016 0.66750472140316 0.60774132087307 6.941 > 17 24 Li 0.65721839126016 0.66750472140316 0.60774132087307 6.941 > 17 25 Li 0.34278160873984 0.41750472140316 0.14225867912693 6.941 > 25 26 Li 0.84278160873984 0.41750472140316 0.14225867912693 6.941 > 25 27 Li 0.34278160873984 0.91750472140316 0.14225867912693 6.941 > 25 28 Li 0.84278160873984 0.91750472140316 0.14225867912693 6.941 > 25 29 Li 0.34278160873984 0.41750472140316 0.64225867912693 6.941 > 25 30 Li 0.84278160873984 0.41750472140316 0.64225867912693 6.941 > 25 31 Li 0.34278160873984 0.91750472140316 0.64225867912693 6.941 > 25 32 Li 0.84278160873984 0.91750472140316 0.64225867912693 6.941 > 25 33 Nd 0.11154463143238 0.43196784675570 0.13009567882803 144.242 > 33 34 Nd 0.61154463143238 0.43196784675570 0.13009567882803 144.242 > 33 35 Nd 0.11154463143238 0.93196784675570 0.13009567882803 144.242 > 33 36 Nd 0.61154463143238 0.93196784675570 0.13009567882803 144.242 > 33 37 Nd 0.11154463143238 0.43196784675570 0.63009567882802 144.242 > 33 38 Nd 0.61154463143238 0.43196784675570 0.63009567882802 144.242 > 33 39 Nd 0.11154463143238 0.93196784675570 0.63009567882802 144.242 > 33 40 Nd 0.61154463143238 0.93196784675570 0.63009567882802 144.242 > 33 41 Nd 0.11154463143238 0.31803215324430 0.38009567882802 144.242 > 41 42 Nd 0.61154463143238 0.31803215324430 0.38009567882802 144.242 > 41 43 Nd 0.11154463143238 0.81803215324430 0.38009567882802 144.242 > 41 44 Nd 0.61154463143238 0.81803215324430 0.38009567882802 144.242 > 41 45 Nd 0.11154463143238 0.31803215324430 0.88009567882802 144.242 > 41 46 Nd 0.61154463143238 0.31803215324430 0.88009567882802 144.242 > 41 47 Nd 0.11154463143238 0.81803215324430 0.88009567882802 144.242 > 41 48 Nd 0.61154463143238 0.81803215324430 0.88009567882802 144.242 > 41 49 Nd 0.38845536856762 0.18196784675570 0.11990432117197 144.242 > 49 50 Nd 0.88845536856762 0.18196784675570 0.11990432117197 144.242 > 49 51 Nd 0.38845536856762 0.68196784675570 0.11990432117197 144.242 > 49 52 Nd 0.88845536856762 0.68196784675570 0.11990432117197 144.242 > 49 53 Nd 0.38845536856762 0.18196784675570 0.61990432117198 144.242 > 49 54 Nd 0.88845536856762 0.18196784675570 0.61990432117198 144.242 > 49 55 Nd 0.38845536856762 0.68196784675570 0.61990432117198 144.242 > 49 56 Nd 0.88845536856762 0.68196784675570 0.61990432117198 144.242 > 49 57 Nd 0.38845536856762 0.06803215324430 0.36990432117198 144.242 > 57 58 Nd 0.88845536856762 0.06803215324430 0.36990432117198 144.242 > 57 59 Nd 0.38845536856762 0.56803215324430 0.36990432117198 144.242 > 57 60 Nd 0.88845536856762 0.56803215324430 0.36990432117198 144.242 > 57 61 Nd 0.38845536856762 0.06803215324430 0.86990432117198 144.242 > 57 62 Nd 0.88845536856762 0.06803215324430 0.86990432117198 144.242 > 57 63 Nd 0.38845536856762 0.56803215324430 0.86990432117198 144.242 > 57 64 Nd 0.88845536856762 0.56803215324430 0.86990432117198 144.242 > 57 65 O 0.01539815870459 0.09810263522999 0.07179865680274 15.999 > 65 66 O 0.51539815870459 0.09810263522999 0.07179865680274 15.999 > 65 67 O 0.01539815870459 0.59810263522999 0.07179865680274 15.999 > 65 68 O 0.51539815870459 0.59810263522999 0.07179865680274 15.999 > 65 69 O 0.01539815870459 0.09810263522999 0.57179865680274 15.999 > 65 70 O 0.51539815870459 0.09810263522999 0.57179865680274 15.999 > 65 71 O 0.01539815870459 0.59810263522999 0.57179865680274 15.999 > 65 72 O 0.51539815870459 0.59810263522999 0.57179865680274 15.999 > 65 73 O 0.01539815870459 0.15189736477001 0.32179865680274 15.999 > 73 74 O 0.51539815870459 0.15189736477001 0.32179865680274 15.999 > 73 75 O 0.01539815870459 0.65189736477001 0.32179865680274 15.999 > 73 76 O 0.51539815870459 0.65189736477001 0.32179865680274 15.999 > 73 77 O 0.01539815870459 0.15189736477001 0.82179865680274 15.999 > 73 78 O 0.51539815870459 0.15189736477001 0.82179865680274 15.999 > 73 79 O 0.01539815870459 0.65189736477001 0.82179865680274 15.999 > 73 80 O 0.51539815870459 0.65189736477001 0.82179865680274 15.999 > 73 81 O 0.22335621807527 0.44753637738448 0.34030873343216 15.999 > 81 82 O 0.72335621807527 0.44753637738448 0.34030873343216 15.999 > 81 83 O 0.22335621807527 0.94753637738448 0.34030873343216 15.999 > 81 84 O 0.72335621807527 0.94753637738448 0.34030873343216 15.999 > 81 85 O 0.22335621807527 0.44753637738448 0.84030873343216 15.999 > 81 86 O 0.72335621807527 0.44753637738448 0.84030873343216 15.999 > 81 87 O 0.22335621807527 0.94753637738448 0.84030873343216 15.999 > 81 88 O 0.72335621807527 0.94753637738448 0.84030873343216 15.999 > 81 89 O 0.27664378192473 0.19753637738448 0.40969126656784 15.999 > 89 90 O 0.77664378192473 0.19753637738448 0.40969126656784 15.999 > 89 91 O 0.27664378192473 0.69753637738448 0.40969126656784 15.999 > 89 92 O 0.77664378192473 0.69753637738448 0.40969126656784 15.999 > 89 93 O 0.27664378192473 0.19753637738448 0.90969126656784 15.999 > 89 94 O 0.77664378192473 0.19753637738448 0.90969126656784 15.999 > 89 95 O 0.27664378192473 0.69753637738448 0.90969126656784 15.999 > 89 96 O 0.77664378192473 0.69753637738448 0.90969126656784 15.999 > 89 97 O 0.22335621807527 0.30246362261552 0.09030873343216 15.999 > 97 98 O 0.72335621807527 0.30246362261552 0.09030873343216 15.999 > 97 99 O 0.22335621807527 0.80246362261552 0.09030873343216 15.999 > 97 100 O 0.72335621807527 0.80246362261552 0.09030873343216 15.999 > 97 101 O 0.22335621807527 0.30246362261552 0.59030873343216 15.999 > 97 102 O 0.72335621807527 0.30246362261552 0.59030873343216 15.999 > 97 103 O 0.22335621807527 0.80246362261552 0.59030873343216 15.999 > 97 104 O 0.72335621807527 0.80246362261552 0.59030873343216 15.999 > 97 105 O 0.27664378192473 0.05246362261552 0.15969126656784 15.999 > 105 106 O 0.77664378192473 0.05246362261552 0.15969126656784 15.999 > 105 107 O 0.27664378192473 0.55246362261552 0.15969126656784 15.999 > 105 108 O 0.77664378192473 0.55246362261552 0.15969126656784 15.999 > 105 109 O 0.27664378192473 0.05246362261552 0.65969126656784 15.999 > 105 110 O 0.77664378192473 0.05246362261552 0.65969126656784 15.999 > 105 111 O 0.27664378192473 0.55246362261552 0.65969126656784 15.999 > 105 112 O 0.77664378192473 0.55246362261552 0.65969126656784 15.999 > 105 113 O 0.48460184129541 0.34810263522999 0.17820134319726 15.999 > 113 114 O 0.98460184129541 0.34810263522999 0.17820134319726 15.999 > 113 115 O 0.48460184129541 0.84810263522999 0.17820134319726 15.999 > 113 116 O 0.98460184129541 0.84810263522999 0.17820134319726 15.999 > 113 117 O 0.48460184129541 0.34810263522999 0.67820134319726 15.999 > 113 118 O 0.98460184129541 0.34810263522999 0.67820134319726 15.999 > 113 119 O 0.48460184129541 0.84810263522999 0.67820134319726 15.999 > 113 120 O 0.98460184129541 0.84810263522999 0.67820134319726 15.999 > 113 121 O 0.48460184129541 0.40189736477001 0.42820134319726 15.999 > 121 122 O 0.98460184129541 0.40189736477001 0.42820134319726 15.999 > 121 123 O 0.48460184129541 0.90189736477001 0.42820134319726 15.999 > 121 124 O 0.98460184129541 0.90189736477001 0.42820134319726 15.999 > 121 125 O 0.48460184129541 0.40189736477001 0.92820134319726 15.999 > 121 126 O 0.98460184129541 0.40189736477001 0.92820134319726 15.999 > 121 127 O 0.48460184129541 0.90189736477001 0.92820134319726 15.999 > 121 128 O 0.98460184129541 0.90189736477001 0.92820134319726 15.999 > 121 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9146951 0.0000000 -0.0338264 0.0000000 3.8580506 0.0000000 -0.0338265 0.0000000 3.9943641 -------------------------- Born effective charges -------------------------- 1 Li 0.9970102 -0.0753254 0.0540916 -0.0988087 0.9927114 0.0784877 0.0573361 0.0995160 0.8746586 2 Li 0.9970102 0.0753254 0.0540916 0.0988087 0.9927114 -0.0784877 0.0573361 -0.0995160 0.8746586 3 Li 0.9970102 0.0753254 0.0540916 0.0988087 0.9927114 -0.0784877 0.0573361 -0.0995160 0.8746586 4 Li 0.9970102 -0.0753254 0.0540916 -0.0988087 0.9927114 0.0784877 0.0573361 0.0995160 0.8746586 5 Nd 3.8532903 -0.1623402 -0.0298404 0.2148329 3.6315450 -0.0976909 0.0041434 0.0481812 3.7774112 6 Nd 3.8532903 0.1623402 -0.0298404 -0.2148329 3.6315450 0.0976909 0.0041434 -0.0481812 3.7774112 7 Nd 3.8532903 0.1623402 -0.0298404 -0.2148329 3.6315450 0.0976909 0.0041434 -0.0481812 3.7774112 8 Nd 3.8532903 -0.1623402 -0.0298404 0.2148329 3.6315450 -0.0976909 0.0041434 0.0481812 3.7774112 9 O -2.3538958 0.9321620 -0.0276588 0.7968436 -2.4346892 0.0330509 -0.0258634 -0.0244917 -2.3979909 10 O -2.3538958 -0.9321620 -0.0276588 -0.7968436 -2.4346892 -0.0330509 -0.0258634 0.0244917 -2.3979909 11 O -2.4964047 -0.7962960 0.0034076 -0.8660843 -2.1895671 0.0913474 -0.0356161 0.0321785 -2.2540789 12 O -2.4964047 0.7962960 0.0034076 0.8660843 -2.1895671 -0.0913474 -0.0356161 -0.0321785 -2.2540789 13 O -2.4964047 0.7962960 0.0034076 0.8660843 -2.1895671 -0.0913474 -0.0356161 -0.0321785 -2.2540789 14 O -2.4964047 -0.7962960 0.0034076 -0.8660843 -2.1895671 0.0913474 -0.0356161 0.0321785 -2.2540789 15 O -2.3538958 -0.9321620 -0.0276588 -0.7968436 -2.4346892 -0.0330509 -0.0258634 0.0244917 -2.3979909 16 O -2.3538958 0.9321620 -0.0276588 0.7968436 -2.4346892 0.0330509 -0.0258634 -0.0244917 -2.3979909 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (yyy) -0.00000004 (yyy) -0.00000004 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 8 9 ] 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: 0.68, Number of G-points: 295, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/205) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.935 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.169 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.354 ( 0.000 0.000 0.000) 0.000 4.784 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 6.475 ( 0.000 0.000 0.000) 0.000 6.610 ( 0.000 0.000 0.000) 0.000 6.883 ( 0.000 0.000 0.000) 0.000 7.123 ( 0.000 0.000 0.000) 0.000 7.513 ( 0.000 0.000 0.000) 0.000 7.889 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.184 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 9.086 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 9.725 ( 0.000 0.000 0.000) 0.000 9.976 ( 0.000 0.000 0.000) 0.000 10.579 ( 0.000 0.000 0.000) 0.000 10.661 ( 0.000 0.000 0.000) 0.000 11.033 ( 0.000 0.000 0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.669 ( 0.000 0.000 0.000) 0.000 12.050 ( 0.000 0.000 0.000) 0.000 12.759 ( 0.000 0.000 0.000) 0.000 12.883 ( 0.000 0.000 0.000) 0.000 13.111 ( 0.000 0.000 0.000) 0.000 13.184 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 13.601 ( 0.000 0.000 0.000) 0.000 14.139 ( 0.000 0.000 0.000) 0.000 14.531 ( 0.000 0.000 0.000) 0.000 14.693 ( 0.000 0.000 0.000) 0.000 14.839 ( 0.000 0.000 0.000) 0.000 16.875 ( 0.000 0.000 0.000) 0.000 16.920 ( 0.000 0.000 0.000) 0.000 18.388 ( 0.000 0.000 0.000) 0.000 18.394 ( 0.000 0.000 0.000) 0.000 18.400 ( 0.000 0.000 0.000) 0.000 18.435 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/205) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 14.457 0.000 15.100) 20.905 0.556 ( 26.731 0.000 11.085) 28.938 1.226 ( 58.741 0.000 19.084) 61.763 2.989 ( 6.439 0.000 -0.317) 6.447 3.069 ( 3.514 0.000 7.395) 8.187 3.165 ( 1.133 0.000 -4.346) 4.491 3.245 ( 13.543 0.000 -1.991) 13.689 3.843 ( -5.605 0.000 -1.254) 5.744 4.312 ( -4.351 0.000 -2.958) 5.261 4.794 ( -0.733 0.000 2.863) 2.955 4.913 ( -0.361 0.000 -1.725) 1.763 5.615 ( 0.450 0.000 3.541) 3.569 6.461 ( -3.327 0.000 3.589) 4.894 6.538 ( -4.796 0.000 -5.408) 7.228 6.941 ( 2.518 0.000 6.060) 6.562 7.162 ( 1.472 0.000 3.488) 3.786 7.515 ( 1.826 0.000 -3.117) 3.612 7.789 ( -5.904 0.000 -2.416) 6.379 8.021 ( -11.535 0.000 -5.447) 12.756 8.474 ( 9.175 0.000 9.116) 12.934 8.799 ( 2.070 0.000 -1.715) 2.688 9.023 ( 7.387 0.000 -30.950) 31.820 9.301 ( -44.450 0.000 50.180) 67.036 9.614 ( 7.249 0.000 10.715) 12.937 9.774 ( -7.596 0.000 -18.133) 19.660 10.026 ( 3.742 0.000 27.636) 27.888 10.743 ( -2.284 0.000 3.214) 3.942 11.038 ( 8.750 0.000 -4.905) 10.031 11.045 ( 1.062 0.000 -3.820) 3.965 11.610 ( -11.549 0.000 3.683) 12.123 12.024 ( -21.640 0.000 -30.696) 37.557 12.032 ( 0.536 0.000 -4.311) 4.344 12.302 ( 2.451 0.000 3.374) 4.170 12.895 ( -12.850 0.000 0.146) 12.851 13.306 ( -3.807 0.000 0.712) 3.873 13.328 ( 11.879 0.000 -0.747) 11.902 13.652 ( 7.081 0.000 -3.582) 7.936 13.701 ( 28.529 0.000 29.616) 41.122 14.503 ( -2.016 0.000 -1.928) 2.789 14.678 ( -1.970 0.000 0.436) 2.017 14.770 ( -6.897 0.000 -2.150) 7.225 15.972 ( -5.832 0.000 10.776) 12.253 16.809 ( -11.842 0.000 -5.502) 13.058 16.888 ( -5.138 0.000 2.349) 5.649 18.349 ( -3.893 0.000 1.744) 4.265 18.485 ( 7.277 0.000 -6.723) 9.907 18.556 ( 13.619 0.000 6.039) 14.897 20.507 ( 33.580 0.000 -61.724) 70.267 ======================= Grid point 2 (3/205) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 18.269 0.000 17.025) 24.972 1.137 ( 26.993 0.000 13.071) 29.991 2.331 ( 49.696 0.000 11.154) 50.932 3.067 ( -2.997 0.000 -11.735) 12.111 3.162 ( 13.581 0.000 1.984) 13.725 3.215 ( 2.497 0.000 7.280) 7.697 3.507 ( 19.209 0.000 -4.005) 19.622 3.752 ( -6.032 0.000 4.942) 7.798 4.129 ( -10.643 0.000 -5.396) 11.933 4.804 ( -1.409 0.000 2.197) 2.610 4.961 ( 6.340 0.000 1.701) 6.564 5.661 ( 0.035 0.000 4.172) 4.172 6.388 ( -4.770 0.000 -6.525) 8.083 6.445 ( -3.825 0.000 5.454) 6.662 7.061 ( 2.174 0.000 8.357) 8.635 7.211 ( -0.168 0.000 3.108) 3.112 7.511 ( 4.092 0.000 -6.758) 7.900 7.700 ( -3.960 0.000 1.473) 4.225 7.809 ( -8.590 0.000 -0.130) 8.591 8.607 ( -5.281 0.000 7.308) 9.017 8.699 ( -8.876 0.000 -23.100) 24.747 8.878 ( 11.197 0.000 -6.935) 13.170 9.135 ( -20.528 0.000 19.076) 28.023 9.484 ( -3.975 0.000 -14.624) 15.154 9.868 ( 4.798 0.000 18.039) 18.667 10.331 ( 3.909 0.000 18.072) 18.490 10.577 ( -7.084 0.000 -14.691) 16.310 11.011 ( 0.829 0.000 -6.473) 6.526 11.085 ( -8.402 0.000 -11.557) 14.288 11.333 ( -9.916 0.000 4.600) 10.931 11.684 ( 2.650 0.000 -8.514) 8.917 11.988 ( 1.341 0.000 -6.822) 6.952 12.405 ( 4.524 0.000 4.613) 6.461 12.697 ( -11.066 0.000 1.387) 11.153 13.260 ( -1.925 0.000 0.724) 2.056 13.500 ( 8.417 0.000 0.966) 8.472 13.742 ( 7.622 0.000 -4.214) 8.710 14.374 ( 4.159 0.000 18.154) 18.625 14.463 ( 12.905 0.000 -4.212) 13.575 14.566 ( -13.130 0.000 -3.661) 13.631 14.664 ( 2.098 0.000 5.553) 5.936 15.988 ( -2.306 0.000 5.990) 6.419 16.534 ( -12.449 0.000 -5.115) 13.459 16.792 ( -9.393 0.000 3.183) 9.918 18.316 ( -0.910 0.000 0.215) 0.935 18.523 ( 5.810 0.000 -8.004) 9.890 18.889 ( 15.354 0.000 8.133) 17.375 20.431 ( 12.683 0.000 -30.794) 33.303 ======================= Grid point 3 (4/205) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 19.083 0.000 18.514) 26.588 1.730 ( 25.698 0.000 14.821) 29.665 2.719 ( -3.265 0.000 -20.692) 20.948 3.077 ( 19.568 0.000 -4.644) 20.112 3.195 ( -7.931 0.000 -6.479) 10.241 3.630 ( 27.199 0.000 17.655) 32.427 3.724 ( -5.258 0.000 8.712) 10.176 3.769 ( 14.492 0.000 -2.845) 14.769 3.948 ( -5.668 0.000 1.616) 5.894 4.784 ( -2.104 0.000 -0.904) 2.290 5.140 ( 11.056 0.000 2.706) 11.383 5.689 ( -1.352 0.000 2.746) 3.061 6.264 ( -3.027 0.000 -4.514) 5.435 6.438 ( -3.204 0.000 4.688) 5.678 7.165 ( 0.917 0.000 6.532) 6.596 7.223 ( -0.900 0.000 2.071) 2.258 7.547 ( 6.826 0.000 -5.423) 8.718 7.666 ( -4.101 0.000 4.291) 5.936 7.704 ( -6.222 0.000 2.718) 6.790 8.362 ( -4.598 0.000 -16.215) 16.855 8.528 ( -6.560 0.000 0.949) 6.628 8.883 ( 1.348 0.000 -13.272) 13.341 8.916 ( -20.868 0.000 6.719) 21.923 9.436 ( 7.350 0.000 -1.965) 7.608 10.140 ( 4.402 0.000 19.940) 20.420 10.251 ( -8.607 0.000 -18.671) 20.559 10.507 ( 0.936 0.000 8.723) 8.773 10.789 ( -14.628 0.000 0.074) 14.628 10.930 ( -1.166 0.000 -9.438) 9.510 11.240 ( -2.604 0.000 -4.273) 5.004 11.819 ( 12.720 0.000 1.046) 12.763 11.958 ( 2.650 0.000 -5.208) 5.844 12.528 ( 3.810 0.000 4.518) 5.910 12.539 ( -9.970 0.000 2.031) 10.175 13.267 ( 2.904 0.000 -0.763) 3.003 13.629 ( 5.214 0.000 1.174) 5.345 13.819 ( 5.645 0.000 -3.128) 6.454 14.274 ( -15.728 0.000 -3.604) 16.135 14.333 ( -3.104 0.000 -0.678) 3.177 14.507 ( -4.342 0.000 -0.902) 4.435 15.097 ( 21.517 0.000 13.062) 25.171 16.017 ( -0.470 0.000 4.440) 4.465 16.310 ( -8.246 0.000 -4.037) 9.181 16.639 ( -11.341 0.000 2.064) 11.527 18.322 ( 1.297 0.000 0.016) 1.297 18.519 ( 2.701 0.000 -7.060) 7.559 19.205 ( 11.393 0.000 7.796) 13.805 20.324 ( 4.528 0.000 -18.548) 19.093 ======================= Grid point 4 (5/205) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 13.086 0.000 15.345) 20.167 2.295 ( 21.755 0.000 14.966) 26.406 2.393 ( -8.282 0.000 -16.382) 18.356 2.848 ( -17.020 0.000 -14.101) 22.102 3.288 ( 10.562 0.000 -4.911) 11.648 3.662 ( -7.422 0.000 6.355) 9.772 3.919 ( 1.461 0.000 5.241) 5.441 3.939 ( 3.173 0.000 -3.613) 4.808 4.243 ( 19.047 0.000 11.032) 22.011 4.697 ( -5.017 0.000 -4.133) 6.501 5.341 ( 7.751 0.000 1.429) 7.882 5.665 ( -2.763 0.000 0.606) 2.829 6.196 ( -1.208 0.000 -1.579) 1.989 6.431 ( -1.375 0.000 1.859) 2.313 7.219 ( 0.170 0.000 2.337) 2.344 7.247 ( 1.573 0.000 1.676) 2.299 7.500 ( -6.353 0.000 -1.325) 6.490 7.642 ( -2.456 0.000 2.429) 3.454 7.718 ( 4.113 0.000 -0.652) 4.164 8.300 ( 12.670 0.000 -8.126) 15.052 8.449 ( -1.921 0.000 -1.182) 2.256 8.585 ( -22.489 0.000 3.961) 22.835 8.773 ( -1.363 0.000 -4.528) 4.729 9.558 ( 6.314 0.000 -2.535) 6.804 10.016 ( -3.705 0.000 -4.302) 5.677 10.393 ( 3.235 0.000 13.767) 14.142 10.562 ( -0.211 0.000 2.332) 2.342 10.572 ( -8.614 0.000 -0.712) 8.643 10.790 ( -2.169 0.000 -9.814) 10.051 11.207 ( 0.989 0.000 -1.308) 1.640 11.965 ( 1.613 0.000 -1.565) 2.248 12.028 ( 8.798 0.000 0.343) 8.805 12.399 ( -7.222 0.000 1.185) 7.318 12.606 ( 1.178 0.000 1.993) 2.315 13.329 ( 4.004 0.000 -0.771) 4.077 13.693 ( 1.369 0.000 0.413) 1.430 13.873 ( 3.295 0.000 -0.785) 3.387 14.010 ( -10.048 0.000 -1.832) 10.214 14.316 ( 1.657 0.000 -0.416) 1.708 14.415 ( -4.607 0.000 -0.445) 4.629 15.479 ( 10.309 0.000 5.067) 11.487 16.062 ( 1.077 0.000 3.141) 3.320 16.171 ( -3.861 0.000 -2.963) 4.867 16.481 ( -6.787 0.000 0.291) 6.793 18.351 ( 1.265 0.000 0.485) 1.355 18.485 ( 0.228 0.000 -3.327) 3.335 19.406 ( 4.413 0.000 3.821) 5.837 20.231 ( 0.766 0.000 -7.107) 7.149 ======================= Grid point 9 (6/205) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( 0.000 25.183 0.000) 25.183 0.602 ( 0.000 28.731 0.000) 28.731 1.076 ( 0.000 50.083 0.000) 50.083 2.951 ( 0.000 -6.452 0.000) 6.452 3.060 ( 0.000 1.541 0.000) 1.541 3.178 ( 0.000 9.531 0.000) 9.531 3.195 ( 0.000 5.910 0.000) 5.910 3.880 ( 0.000 -2.298 0.000) 2.298 4.366 ( 0.000 1.029 0.000) 1.029 4.698 ( 0.000 -7.651 0.000) 7.651 4.945 ( 0.000 0.473 0.000) 0.473 5.592 ( 0.000 -2.644 0.000) 2.644 6.425 ( 0.000 -3.718 0.000) 3.718 6.649 ( 0.000 2.985 0.000) 2.985 6.789 ( 0.000 -9.455 0.000) 9.455 7.226 ( 0.000 5.818 0.000) 5.818 7.455 ( 0.000 -4.459 0.000) 4.459 7.868 ( 0.000 0.412 0.000) 0.412 8.026 ( 0.000 -4.846 0.000) 4.846 8.417 ( 0.000 8.289 0.000) 8.289 8.431 ( 0.000 17.764 0.000) 17.764 9.012 ( 0.000 -7.164 0.000) 7.164 9.327 ( 0.000 -19.121 0.000) 19.121 9.503 ( 0.000 -0.044 0.000) 0.044 9.978 ( 0.000 -6.152 0.000) 6.152 10.304 ( 0.000 19.824 0.000) 19.824 10.461 ( 0.000 -5.890 0.000) 5.890 10.795 ( 0.000 7.234 0.000) 7.234 11.180 ( 0.000 11.330 0.000) 11.330 11.685 ( 0.000 1.571 0.000) 1.571 11.824 ( 0.000 -7.836 0.000) 7.836 12.068 ( 0.000 1.123 0.000) 1.123 12.673 ( 0.000 -8.015 0.000) 8.015 12.727 ( 0.000 -12.798 0.000) 12.798 12.997 ( 0.000 -16.893 0.000) 16.893 13.161 ( 0.000 -10.956 0.000) 10.956 13.539 ( 0.000 0.919 0.000) 0.919 13.883 ( 0.000 19.438 0.000) 19.438 14.224 ( 0.000 6.677 0.000) 6.677 14.556 ( 0.000 1.267 0.000) 1.267 14.931 ( 0.000 9.384 0.000) 9.384 16.854 ( 0.000 -1.491 0.000) 1.491 16.895 ( 0.000 -3.027 0.000) 3.027 17.232 ( 0.000 -2.498 0.000) 2.498 18.267 ( 0.000 -5.064 0.000) 5.064 18.376 ( 0.000 -1.181 0.000) 1.181 18.643 ( 0.000 12.249 0.000) 12.249 19.917 ( 0.000 -3.194 0.000) 3.194 ======================= Grid point 10 (7/205) ======================= q-point: ( 0.11 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 11.072 22.150 4.549) 25.178 0.891 ( 16.499 22.100 10.366) 29.463 1.562 ( 42.524 29.652 14.239) 53.761 3.008 ( 2.318 -5.115 6.736) 8.770 3.055 ( 1.539 -2.431 -2.538) 3.837 3.183 ( 3.395 7.433 -2.577) 8.568 3.334 ( 14.076 9.112 -1.136) 16.806 3.821 ( -4.485 -1.893 -1.939) 5.240 4.318 ( -4.600 0.353 -3.322) 5.685 4.722 ( 0.333 -6.350 3.527) 7.272 4.942 ( 1.559 2.514 -1.326) 3.241 5.596 ( -0.138 -2.222 3.023) 3.755 6.421 ( -1.909 -3.043 2.048) 4.135 6.565 ( -5.839 2.097 -2.925) 6.859 6.838 ( 2.915 -7.763 3.435) 8.975 7.247 ( 0.733 5.481 3.686) 6.646 7.496 ( 5.019 -1.071 -0.738) 5.185 7.780 ( -5.525 0.711 -2.240) 6.004 8.104 ( -11.070 7.678 -8.123) 15.732 8.380 ( 10.134 -10.355 16.636) 22.061 8.749 ( 9.169 5.276 1.860) 10.741 8.963 ( 2.645 -3.363 -9.574) 10.487 9.213 ( -17.200 -8.716 13.228) 23.383 9.466 ( -1.684 -9.049 -4.455) 10.226 9.936 ( -8.398 8.670 2.895) 12.413 10.202 ( -1.219 8.527 18.202) 20.137 10.602 ( 10.454 -12.249 -12.902) 20.634 10.805 ( -5.785 2.317 -0.681) 6.268 11.259 ( 3.065 7.364 8.089) 11.360 11.653 ( -6.622 4.510 2.223) 8.314 11.870 ( -8.536 -6.910 -16.005) 19.411 12.096 ( 8.833 -5.486 -0.717) 10.422 12.171 ( -0.885 0.366 -14.086) 14.118 12.780 ( -17.535 -12.440 -1.803) 21.575 13.004 ( -0.500 -16.413 1.292) 16.472 13.380 ( 13.344 -14.039 12.234) 22.909 13.564 ( 4.657 5.994 -0.716) 7.625 13.990 ( 10.141 11.940 8.172) 17.669 14.397 ( 8.021 -5.306 4.111) 10.459 14.530 ( -2.360 1.548 -0.870) 2.954 14.899 ( -3.079 12.778 -0.172) 13.144 16.596 ( -23.594 21.272 -3.043) 31.913 16.813 ( -11.210 -0.872 -7.383) 13.451 16.888 ( -10.681 2.981 4.331) 11.905 18.283 ( 1.608 -4.091 1.210) 4.559 18.438 ( 5.141 -1.873 -0.300) 5.479 18.710 ( 8.662 10.426 0.265) 13.557 20.203 ( 29.726 -17.222 -26.814) 43.580 ======================= Grid point 11 (8/205) ======================= q-point: ( 0.22 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 17.268 14.944 9.759) 24.834 1.321 ( 20.690 14.880 12.432) 28.356 2.485 ( 42.905 13.592 11.358) 46.418 2.998 ( -1.210 -6.045 -10.545) 12.215 3.126 ( 3.205 -4.003 6.670) 8.414 3.283 ( 9.666 5.799 0.682) 11.293 3.593 ( 16.818 8.320 -2.592) 18.942 3.748 ( -4.274 -0.128 4.458) 6.177 4.140 ( -9.302 0.909 -5.434) 10.811 4.767 ( 0.542 -3.302 2.968) 4.473 5.012 ( 7.206 4.807 0.934) 8.712 5.642 ( 0.673 -1.855 4.205) 4.645 6.378 ( -3.213 -0.642 -4.031) 5.195 6.463 ( -4.527 1.783 3.852) 6.206 6.936 ( 2.927 -8.048 4.949) 9.891 7.309 ( 0.880 5.118 5.000) 7.209 7.549 ( 3.936 4.610 -5.965) 8.504 7.724 ( -0.979 0.486 4.788) 4.911 7.862 ( -8.954 6.791 -5.135) 12.356 8.539 ( -5.837 -6.732 -1.428) 9.024 8.652 ( -3.184 -2.304 -6.839) 7.888 8.975 ( 1.970 5.221 -7.517) 9.362 9.074 ( -14.859 -4.669 11.081) 19.115 9.424 ( 5.129 -2.381 -6.303) 8.468 9.925 ( -3.687 4.033 16.938) 17.798 10.433 ( 4.382 1.202 9.925) 10.916 10.519 ( -2.349 -5.038 -16.326) 17.247 10.670 ( 0.551 -8.121 -6.358) 10.328 11.275 ( -23.939 -0.763 2.159) 24.048 11.405 ( -1.159 9.514 -6.373) 11.509 11.655 ( 3.411 -0.355 -4.903) 5.984 12.070 ( 1.824 5.868 -5.166) 8.028 12.377 ( 12.527 -5.980 0.635) 13.896 12.512 ( -12.468 -15.458 2.147) 19.975 12.956 ( -4.916 -15.936 1.251) 16.724 13.590 ( 6.067 -9.460 -0.536) 11.252 13.677 ( 7.632 2.764 0.056) 8.118 14.274 ( 5.432 -8.033 6.071) 11.441 14.447 ( -5.515 -0.415 2.493) 6.066 14.510 ( 2.175 -3.632 0.826) 4.314 14.898 ( 4.709 21.692 4.084) 22.569 16.288 ( -10.778 19.594 -0.154) 22.364 16.544 ( -11.224 0.666 -4.672) 12.175 16.782 ( -10.074 -0.458 4.620) 11.093 18.303 ( 0.512 -1.111 0.210) 1.241 18.511 ( 5.848 -1.191 -5.561) 8.157 18.936 ( 12.967 4.637 5.574) 14.856 20.296 ( 13.515 -11.180 -23.153) 29.047 ======================= Grid point 12 (9/205) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 18.461 8.769 14.027) 24.788 1.828 ( 22.280 8.393 14.154) 27.698 2.693 ( -5.037 -3.139 -18.824) 19.737 3.077 ( 4.166 -1.129 -3.868) 5.796 3.249 ( 8.445 5.601 -3.749) 10.805 3.601 ( 23.196 -1.360 8.601) 24.777 3.705 ( -6.709 -0.122 7.336) 9.942 3.833 ( 4.396 2.499 6.067) 7.898 4.038 ( 7.232 9.284 0.017) 11.769 4.785 ( -0.493 0.201 -0.276) 0.599 5.186 ( 10.772 4.276 1.447) 11.680 5.686 ( -0.107 -0.232 2.858) 2.870 6.277 ( -2.542 1.525 -4.207) 5.147 6.455 ( -2.795 1.797 4.870) 5.895 7.025 ( 1.682 -7.301 4.494) 8.736 7.364 ( 0.001 6.160 3.983) 7.336 7.574 ( 6.631 3.125 -5.526) 9.179 7.686 ( -7.452 3.401 -1.056) 8.259 7.781 ( -1.155 6.151 6.045) 8.701 8.314 ( -4.651 -2.525 -11.179) 12.369 8.555 ( -5.337 0.598 -3.661) 6.499 8.828 ( -13.223 -5.733 0.074) 14.413 8.942 ( -4.698 3.707 -3.609) 6.989 9.484 ( 6.235 4.272 -2.821) 8.067 10.117 ( 2.715 -1.706 19.603) 19.863 10.184 ( -7.882 -5.892 -19.299) 21.663 10.584 ( -0.543 5.944 4.773) 7.642 10.703 ( 3.806 -7.914 1.274) 8.873 10.898 ( -15.171 -0.559 -3.122) 15.499 11.253 ( -5.691 0.625 -9.706) 11.269 11.796 ( 10.194 -3.148 2.893) 11.054 12.072 ( 3.853 7.831 -4.378) 9.764 12.346 ( -9.378 -8.314 3.966) 13.145 12.583 ( 7.928 -8.326 1.888) 11.651 12.884 ( -4.461 -19.670 0.888) 20.189 13.645 ( 2.331 -9.581 -1.639) 9.996 13.787 ( 6.292 0.949 -2.470) 6.825 14.205 ( -8.820 -5.533 -2.745) 10.768 14.387 ( -3.945 0.712 1.958) 4.461 14.541 ( -0.797 2.898 0.682) 3.082 15.164 ( 14.187 10.022 8.771) 19.459 16.181 ( -3.115 11.645 1.178) 12.112 16.354 ( -6.466 3.900 -2.915) 8.094 16.632 ( -11.926 -0.169 3.239) 12.359 18.321 ( 1.620 0.011 0.057) 1.621 18.522 ( 2.810 0.199 -6.221) 6.829 19.208 ( 10.432 0.723 6.616) 12.375 20.250 ( 5.122 -6.786 -15.730) 17.881 ======================= Grid point 13 (10/205) ======================= q-point: ( 0.44 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( 12.483 4.489 13.006) 18.578 2.331 ( 16.937 2.929 10.649) 20.219 2.394 ( -5.312 0.072 -11.926) 13.056 2.854 ( -14.327 0.073 -11.327) 18.264 3.360 ( 9.059 6.060 -6.226) 12.552 3.633 ( -7.742 -2.378 6.220) 10.212 3.895 ( 6.735 -2.612 -2.732) 7.723 3.927 ( -0.196 0.713 7.476) 7.512 4.371 ( 16.567 10.604 8.299) 21.349 4.722 ( -4.667 2.483 -4.062) 6.667 5.360 ( 6.494 1.727 0.632) 6.750 5.689 ( -1.297 2.098 0.784) 2.588 6.218 ( -0.919 2.360 -1.492) 2.939 6.455 ( -1.225 2.436 1.863) 3.303 7.081 ( 0.785 -6.690 2.100) 7.055 7.390 ( 0.288 6.195 1.103) 6.299 7.525 ( -4.732 3.382 -1.022) 5.906 7.697 ( 4.520 -0.580 -0.497) 4.584 7.788 ( -2.247 11.945 2.324) 12.374 8.254 ( 6.403 -2.611 -3.673) 7.830 8.432 ( -2.759 -0.917 -6.182) 6.832 8.594 ( -13.117 -2.193 3.038) 13.641 8.847 ( -2.084 7.316 -2.214) 7.923 9.577 ( 6.393 1.485 -1.276) 6.686 9.900 ( -8.005 -7.030 -6.077) 12.265 10.364 ( 6.242 -3.867 11.071) 13.284 10.571 ( -6.473 -0.438 -1.662) 6.698 10.632 ( -4.653 5.681 2.565) 7.779 10.806 ( 1.994 0.657 -3.900) 4.429 11.112 ( -1.070 -7.022 -4.529) 8.425 11.990 ( 7.495 -3.649 3.329) 8.976 12.095 ( 3.809 -1.505 -5.346) 6.734 12.231 ( -8.296 1.882 3.696) 9.275 12.693 ( 2.691 -4.649 1.139) 5.491 12.835 ( -1.538 -27.288 0.053) 27.332 13.651 ( 0.238 -10.692 -0.762) 10.722 13.831 ( 1.795 -3.888 -2.139) 4.787 14.062 ( -4.157 3.231 -0.596) 5.299 14.360 ( -1.008 -1.432 0.873) 1.957 14.519 ( -1.076 10.859 -0.313) 10.917 15.424 ( 6.616 -0.894 3.627) 7.598 16.193 ( 1.939 8.100 1.913) 8.546 16.259 ( -2.042 8.202 -2.153) 8.722 16.468 ( -8.100 -0.598 1.004) 8.184 18.352 ( 1.248 0.190 0.423) 1.332 18.497 ( 0.358 0.971 -3.015) 3.188 19.390 ( 4.091 -1.129 3.305) 5.379 20.183 ( 1.019 -4.575 -6.156) 7.737 ======================= Grid point 18 (11/205) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 0.000 25.490 0.000) 25.490 1.170 ( 0.000 26.421 0.000) 26.421 2.005 ( 0.000 38.905 0.000) 38.905 2.756 ( 0.000 -12.309 0.000) 12.309 2.923 ( 0.000 -10.037 0.000) 10.037 3.356 ( 0.000 9.015 0.000) 9.015 3.552 ( 0.000 20.179 0.000) 20.179 3.805 ( 0.000 -4.927 0.000) 4.927 4.387 ( 0.000 0.743 0.000) 0.743 4.506 ( 0.000 -10.139 0.000) 10.139 4.975 ( 0.000 2.783 0.000) 2.783 5.499 ( 0.000 -6.274 0.000) 6.274 6.357 ( 0.000 -2.366 0.000) 2.366 6.613 ( 0.000 -7.269 0.000) 7.269 6.722 ( 0.000 4.253 0.000) 4.253 7.296 ( 0.000 0.246 0.000) 0.246 7.388 ( 0.000 -0.849 0.000) 0.849 7.946 ( 0.000 -3.174 0.000) 3.174 7.959 ( 0.000 8.052 0.000) 8.052 8.567 ( 0.000 5.342 0.000) 5.342 8.710 ( 0.000 2.740 0.000) 2.740 8.808 ( 0.000 -11.770 0.000) 11.770 9.124 ( 0.000 5.805 0.000) 5.805 9.489 ( 0.000 -1.693 0.000) 1.693 9.769 ( 0.000 -12.028 0.000) 12.028 10.362 ( 0.000 -4.512 0.000) 4.512 10.707 ( 0.000 17.994 0.000) 17.994 10.915 ( 0.000 4.437 0.000) 4.437 11.460 ( 0.000 12.292 0.000) 12.292 11.654 ( 0.000 -4.846 0.000) 4.846 11.732 ( 0.000 3.017 0.000) 3.017 12.076 ( 0.000 -0.770 0.000) 0.770 12.463 ( 0.000 -12.377 0.000) 12.377 12.525 ( 0.000 -6.886 0.000) 6.886 12.563 ( 0.000 -22.166 0.000) 22.166 12.909 ( 0.000 -13.118 0.000) 13.118 13.597 ( 0.000 5.506 0.000) 5.506 14.220 ( 0.000 12.124 0.000) 12.124 14.353 ( 0.000 4.978 0.000) 4.978 14.535 ( 0.000 -3.938 0.000) 3.938 15.239 ( 0.000 20.108 0.000) 20.108 16.772 ( 0.000 -8.842 0.000) 8.842 16.839 ( 0.000 0.144 0.000) 0.144 17.160 ( 0.000 -4.429 0.000) 4.429 18.207 ( 0.000 -1.001 0.000) 1.001 18.342 ( 0.000 -2.004 0.000) 2.004 18.911 ( 0.000 13.548 0.000) 13.548 19.820 ( 0.000 -6.307 0.000) 6.307 ======================= Grid point 19 (12/205) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 9.199 24.228 0.825) 25.928 1.341 ( 11.654 21.847 8.951) 26.329 2.232 ( 22.135 30.657 7.359) 38.522 2.820 ( 2.824 -12.191 5.409) 13.633 2.917 ( 1.691 -8.706 -2.668) 9.262 3.385 ( 1.856 9.817 0.102) 9.992 3.626 ( 9.964 16.223 -1.966) 19.140 3.763 ( -2.087 -3.201 -1.761) 4.208 4.316 ( -5.534 -0.889 -3.447) 6.580 4.570 ( 3.394 -7.419 4.561) 9.347 5.017 ( 5.548 4.910 -0.749) 7.447 5.519 ( 1.104 -5.145 2.573) 5.858 6.367 ( -0.173 -1.650 2.053) 2.640 6.600 ( -4.717 -0.385 2.221) 5.228 6.712 ( 2.448 -1.979 -1.270) 3.394 7.304 ( 0.230 -0.962 1.334) 1.661 7.486 ( 8.261 0.827 3.469) 8.998 7.876 ( -3.150 8.565 -4.981) 10.397 8.155 ( 8.501 -4.165 9.780) 13.611 8.378 ( -7.153 10.195 -5.423) 13.584 8.673 ( -4.316 -8.529 -7.702) 12.276 8.881 ( -0.911 -11.487 8.892) 14.555 9.243 ( 10.472 13.236 5.042) 17.615 9.315 ( -10.081 -3.869 -7.268) 13.016 9.900 ( 9.806 -11.920 -1.941) 15.557 10.289 ( -11.229 3.558 5.132) 12.849 10.598 ( -3.577 5.513 -1.058) 6.656 10.876 ( -6.275 4.840 -3.958) 8.858 11.426 ( -8.772 8.806 6.821) 14.178 11.724 ( 4.814 -2.811 -7.885) 9.657 11.768 ( 5.097 -2.948 -0.815) 5.944 11.973 ( -10.026 -0.717 -6.788) 12.129 12.204 ( -2.532 0.921 -6.516) 7.051 12.437 ( -8.745 -19.308 -0.674) 21.207 12.674 ( 2.246 -14.071 0.315) 14.253 13.091 ( 8.911 -13.919 11.471) 20.118 13.645 ( 5.025 4.501 -0.947) 6.812 14.171 ( -2.420 6.522 0.174) 6.958 14.409 ( 1.949 2.295 1.294) 3.277 14.523 ( -1.472 -2.757 0.703) 3.203 15.269 ( 2.299 21.702 2.295) 21.943 16.701 ( -7.052 -7.133 -1.992) 10.226 16.763 ( -7.394 1.509 -2.298) 7.889 17.000 ( -14.486 2.781 0.985) 14.783 18.231 ( 2.737 -0.845 0.813) 2.978 18.394 ( 3.782 -2.494 1.361) 4.730 18.950 ( 5.576 12.622 -1.156) 13.847 19.926 ( 15.043 -11.096 -9.998) 21.199 ======================= Grid point 20 (13/205) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 14.133 20.244 1.781) 24.753 1.657 ( 13.754 17.046 10.836) 24.437 2.695 ( 10.438 -3.437 -4.626) 11.924 2.955 ( 20.284 9.531 7.809) 23.733 2.983 ( 1.483 -8.763 6.366) 10.932 3.421 ( 4.862 7.412 -2.208) 9.136 3.724 ( -0.981 -0.976 5.411) 5.585 3.825 ( 9.575 9.965 -3.368) 14.224 4.172 ( -3.377 3.053 -3.806) 5.934 4.687 ( 4.634 -4.085 4.159) 7.447 5.143 ( 9.610 7.494 -0.843) 12.216 5.589 ( 3.068 -3.184 3.597) 5.700 6.376 ( -0.562 0.796 -0.453) 1.074 6.527 ( -4.703 4.614 3.027) 7.250 6.789 ( 4.193 -5.877 3.173) 7.886 7.328 ( 0.870 -3.779 1.137) 4.041 7.692 ( 10.061 3.848 4.447) 11.653 7.775 ( -2.580 10.842 -3.501) 11.681 8.077 ( -8.879 12.781 -7.840) 17.426 8.402 ( -0.767 -5.076 -3.098) 5.996 8.595 ( -0.263 -4.049 5.596) 6.913 8.840 ( -9.365 -11.847 1.009) 15.136 9.089 ( -3.205 0.466 -9.023) 9.586 9.522 ( 12.677 11.956 3.570) 17.788 9.944 ( -3.562 -8.476 2.267) 9.469 10.194 ( -1.621 -4.153 -0.915) 4.551 10.554 ( -1.532 0.779 -5.158) 5.436 10.726 ( -3.641 4.622 -0.418) 5.899 11.263 ( -19.597 2.465 4.671) 20.296 11.513 ( -8.358 1.916 -11.626) 14.446 11.706 ( -7.262 1.048 -4.871) 8.807 11.896 ( -1.458 -27.793 3.884) 28.101 12.218 ( 6.858 3.925 -4.579) 9.133 12.372 ( -0.243 -2.614 3.288) 4.208 12.689 ( -0.378 -10.474 1.435) 10.579 13.302 ( 5.263 -15.593 4.407) 17.037 13.722 ( 5.537 2.065 -2.071) 6.262 14.147 ( -1.849 -3.703 -0.683) 4.195 14.410 ( -2.778 -0.910 1.460) 3.268 14.520 ( 0.345 -0.096 2.077) 2.107 15.362 ( 4.493 22.264 3.941) 23.052 16.508 ( -9.427 -2.598 -6.689) 11.848 16.581 ( -9.489 6.310 -0.107) 11.396 16.813 ( -12.291 3.342 5.990) 14.076 18.286 ( 2.548 -0.180 0.256) 2.567 18.474 ( 5.002 -2.467 -1.600) 5.802 19.079 ( 9.077 9.071 1.331) 12.901 20.044 ( 11.687 -12.554 -12.832) 21.421 ======================= Grid point 21 (14/205) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 15.464 13.687 6.191) 21.559 2.033 ( 16.285 11.081 12.111) 23.123 2.582 ( -2.997 -7.372 -15.158) 17.120 3.000 ( -4.682 -6.592 0.892) 8.135 3.392 ( 11.166 7.188 -1.457) 13.359 3.600 ( 16.858 1.410 5.287) 17.724 3.733 ( -6.645 2.411 1.159) 7.163 3.848 ( -0.870 -0.675 8.481) 8.553 4.288 ( 15.591 13.473 1.847) 20.688 4.792 ( 3.655 0.395 1.327) 3.909 5.301 ( 9.546 6.416 -1.692) 11.626 5.676 ( 3.187 -0.976 2.138) 3.960 6.336 ( -1.009 4.275 -3.204) 5.437 6.522 ( -2.013 5.093 5.530) 7.783 6.892 ( 3.087 -5.691 4.047) 7.635 7.357 ( 1.740 -6.501 0.344) 6.739 7.722 ( -0.482 9.578 -3.329) 10.152 7.846 ( -4.811 12.567 -4.588) 14.217 7.910 ( 5.329 6.318 4.874) 9.595 8.318 ( -0.501 3.185 -6.037) 6.844 8.545 ( -7.552 -0.568 -4.707) 8.917 8.666 ( -10.916 -9.298 2.745) 14.600 9.031 ( 1.043 3.277 -3.577) 4.962 9.623 ( 0.452 9.129 -3.424) 9.761 9.964 ( 4.312 -11.182 -6.930) 13.844 10.159 ( -3.342 2.759 8.296) 9.359 10.518 ( 3.633 -5.856 -1.647) 7.085 10.695 ( -5.409 -0.515 2.802) 6.114 10.950 ( -13.896 6.942 0.448) 15.540 11.252 ( -9.666 -1.115 -11.941) 15.403 11.612 ( -0.480 -14.953 0.856) 14.986 11.913 ( -2.031 -28.210 6.442) 29.007 12.267 ( 2.283 -0.181 -4.888) 5.398 12.408 ( 0.519 6.200 2.905) 6.866 12.713 ( 0.395 -4.702 3.174) 5.687 13.370 ( 1.412 -15.395 -0.636) 15.473 13.768 ( 2.345 -1.583 -3.871) 4.795 14.084 ( -2.327 -5.547 -1.745) 6.263 14.371 ( -3.422 -0.489 2.071) 4.030 14.582 ( 3.066 0.382 2.729) 4.123 15.476 ( 3.862 17.413 3.237) 18.127 16.325 ( -4.676 0.476 -3.956) 6.143 16.459 ( -4.878 6.196 0.249) 7.889 16.665 ( -12.064 3.311 5.214) 13.553 18.328 ( 2.289 0.763 0.136) 2.417 18.515 ( 3.018 -1.145 -3.684) 4.898 19.257 ( 8.056 4.594 3.418) 9.883 20.070 ( 5.664 -10.199 -10.272) 15.544 ======================= Grid point 22 (15/205) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 10.206 7.395 8.221) 15.047 2.358 ( -3.416 -1.155 -10.263) 10.878 2.431 ( 12.868 4.214 9.127) 16.330 2.835 ( -10.377 -2.152 -5.960) 12.159 3.468 ( 6.560 3.181 -6.983) 10.095 3.584 ( -8.119 -2.121 4.250) 9.406 3.883 ( 6.870 1.802 0.575) 7.126 3.945 ( 0.164 0.918 6.953) 7.016 4.607 ( 13.564 10.903 6.385) 18.537 4.801 ( -2.709 5.041 -3.250) 6.581 5.409 ( 4.195 3.140 -1.086) 5.351 5.728 ( 1.248 0.910 0.487) 1.620 6.300 ( -0.322 5.654 -1.359) 5.824 6.540 ( -0.763 6.105 2.213) 6.538 6.960 ( 1.081 -5.219 1.886) 5.654 7.388 ( 0.896 -7.136 0.625) 7.219 7.639 ( -2.961 6.949 -3.001) 8.128 7.788 ( 0.832 10.818 -0.595) 10.866 8.068 ( 5.220 12.433 4.235) 14.134 8.256 ( -3.938 3.723 -1.588) 5.647 8.408 ( 4.074 -1.347 -9.223) 10.172 8.506 ( -11.198 -3.997 3.907) 12.515 9.006 ( -0.661 6.663 -1.108) 6.787 9.616 ( 2.208 1.717 0.264) 2.809 9.827 ( -5.277 0.442 -8.179) 9.743 10.288 ( 2.409 -1.787 8.671) 9.176 10.510 ( -2.978 -5.223 -3.587) 7.002 10.698 ( 1.750 -2.454 9.131) 9.615 10.845 ( -0.281 5.100 -3.920) 6.439 10.997 ( -6.525 -3.892 -7.534) 10.700 11.639 ( 0.861 -21.081 1.174) 21.131 11.967 ( 1.157 -34.858 4.584) 35.177 12.188 ( -3.625 0.577 -4.073) 5.483 12.456 ( 1.398 12.280 1.343) 12.433 12.746 ( 0.200 -3.027 1.502) 3.385 13.368 ( -0.013 -15.440 -0.813) 15.461 13.735 ( -0.697 -3.653 -2.387) 4.419 14.063 ( 0.404 -3.047 -0.491) 3.113 14.344 ( -1.467 0.715 0.969) 1.898 14.645 ( 1.507 1.189 1.066) 2.195 15.542 ( 1.236 11.146 1.037) 11.262 16.266 ( -0.257 -1.683 -1.067) 2.010 16.430 ( 2.182 7.053 -0.634) 7.410 16.518 ( -9.387 5.514 2.844) 11.251 18.363 ( 1.254 0.983 0.310) 1.623 18.513 ( 0.659 0.223 -2.058) 2.172 19.388 ( 3.245 1.715 1.958) 4.160 20.051 ( 1.457 -8.018 -4.150) 9.145 ======================= Grid point 27 (16/205) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 0.000 24.785 0.000) 24.785 1.683 ( 0.000 23.538 0.000) 23.538 2.435 ( 0.000 -12.685 0.000) 12.685 2.470 ( 0.000 -10.306 0.000) 10.306 2.875 ( 0.000 16.150 0.000) 16.150 3.478 ( 0.000 -1.860 0.000) 1.860 3.736 ( 0.000 2.306 0.000) 2.306 3.884 ( 0.000 9.529 0.000) 9.529 4.327 ( 0.000 -5.616 0.000) 5.616 4.384 ( 0.000 -1.318 0.000) 1.318 5.063 ( 0.000 5.626 0.000) 5.626 5.351 ( 0.000 -7.664 0.000) 7.664 6.342 ( 0.000 1.005 0.000) 1.005 6.488 ( 0.000 -5.240 0.000) 5.240 6.834 ( 0.000 6.880 0.000) 6.880 7.200 ( 0.000 -8.394 0.000) 8.394 7.474 ( 0.000 8.492 0.000) 8.492 7.866 ( 0.000 -5.649 0.000) 5.649 8.162 ( 0.000 10.498 0.000) 10.498 8.530 ( 0.000 -9.736 0.000) 9.736 8.647 ( 0.000 -2.971 0.000) 2.971 8.661 ( 0.000 -0.614 0.000) 0.614 9.405 ( 0.000 8.259 0.000) 8.259 9.434 ( 0.000 -3.243 0.000) 3.243 9.596 ( 0.000 3.400 0.000) 3.400 10.221 ( 0.000 -10.480 0.000) 10.480 10.996 ( 0.000 4.136 0.000) 4.136 11.018 ( 0.000 11.164 0.000) 11.164 11.451 ( 0.000 -2.525 0.000) 2.525 11.803 ( 0.000 3.399 0.000) 3.399 11.865 ( 0.000 13.994 0.000) 13.994 12.027 ( 0.000 -23.166 0.000) 23.166 12.046 ( 0.000 0.217 0.000) 0.217 12.348 ( 0.000 -3.464 0.000) 3.464 12.418 ( 0.000 -4.219 0.000) 4.219 12.621 ( 0.000 -15.145 0.000) 15.145 13.781 ( 0.000 12.234 0.000) 12.234 14.338 ( 0.000 -9.641 0.000) 9.641 14.391 ( 0.000 5.262 0.000) 5.262 14.462 ( 0.000 0.218 0.000) 0.218 15.701 ( 0.000 23.470 0.000) 23.470 16.525 ( 0.000 -15.099 0.000) 15.099 16.871 ( 0.000 2.881 0.000) 2.881 17.058 ( 0.000 -5.301 0.000) 5.301 18.213 ( 0.000 1.317 0.000) 1.317 18.297 ( 0.000 -2.311 0.000) 2.311 19.188 ( 0.000 13.225 0.000) 13.225 19.660 ( 0.000 -9.201 0.000) 9.201 ======================= Grid point 28 (17/205) ======================= q-point: ( 0.11 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 7.608 23.178 -1.127) 24.420 1.786 ( 7.234 21.386 7.030) 23.645 2.461 ( 4.110 -13.649 -3.369) 14.647 2.558 ( 5.843 -13.639 5.844) 15.948 2.957 ( 8.429 17.999 4.040) 20.282 3.519 ( 1.911 -2.311 4.069) 5.055 3.694 ( -1.990 4.170 -3.549) 5.826 3.920 ( 4.566 6.597 -1.922) 8.250 4.285 ( -3.087 -0.338 -0.470) 3.141 4.450 ( 5.840 -4.368 1.785) 7.508 5.136 ( 8.029 6.364 -0.112) 10.246 5.398 ( 4.241 -6.249 1.752) 7.753 6.366 ( 1.005 1.641 2.875) 3.460 6.526 ( 1.362 -4.840 4.728) 6.902 6.790 ( -2.281 7.471 -3.043) 8.384 7.192 ( -0.567 -9.076 -0.653) 9.117 7.580 ( 8.417 8.511 4.613) 12.828 7.989 ( 9.008 -4.077 3.493) 10.486 8.158 ( -0.103 8.791 2.097) 9.038 8.499 ( -1.241 -6.531 -2.421) 7.075 8.570 ( -5.805 4.321 -6.388) 9.653 8.661 ( 0.352 -7.199 -0.402) 7.219 9.245 ( -5.546 0.656 -7.068) 9.008 9.596 ( 11.464 -0.657 -3.069) 11.886 9.622 ( 1.138 4.611 3.959) 6.183 10.264 ( 0.888 -7.724 5.000) 9.244 10.731 ( -17.976 8.164 1.041) 19.770 11.009 ( -6.202 6.083 -5.131) 10.089 11.420 ( -4.853 -9.712 -0.578) 10.872 11.676 ( -9.320 6.114 -4.240) 11.926 11.787 ( -6.302 0.934 -8.349) 10.502 11.902 ( -14.772 -14.981 -1.829) 21.118 12.173 ( 8.582 0.928 2.223) 8.914 12.252 ( -0.224 4.136 4.252) 5.936 12.450 ( 4.664 -7.389 -2.098) 8.986 12.807 ( 7.867 -13.906 9.178) 18.426 13.801 ( 2.919 10.746 -2.159) 11.343 14.235 ( -4.883 -2.437 -6.228) 8.281 14.425 ( -1.573 -1.420 5.167) 5.585 14.452 ( -0.942 -1.284 -0.173) 1.602 15.729 ( 1.785 22.148 2.019) 22.311 16.482 ( -4.137 -13.554 -1.362) 14.237 16.818 ( -5.890 3.606 0.141) 6.907 16.988 ( -8.020 -3.041 1.252) 8.668 18.241 ( 2.570 1.465 0.857) 3.080 18.338 ( 3.168 -2.830 1.471) 4.495 19.215 ( 4.310 12.966 -1.845) 13.787 19.706 ( 7.684 -10.787 -4.948) 14.138 ======================= Grid point 29 (18/205) ======================= q-point: ( 0.22 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 10.811 19.308 -3.437) 22.394 2.015 ( 8.888 17.892 9.678) 22.199 2.467 ( 3.424 -14.494 -9.077) 17.441 2.725 ( 3.650 -14.767 8.204) 17.283 3.265 ( 17.446 14.422 10.521) 24.961 3.584 ( -0.949 7.610 0.432) 7.681 3.663 ( 2.830 -3.811 4.034) 6.229 3.910 ( -3.949 -2.463 -4.979) 6.815 4.312 ( 8.927 9.651 0.078) 13.147 4.603 ( 8.420 -4.320 3.659) 10.146 5.297 ( 10.911 6.978 -2.108) 13.122 5.515 ( 6.883 -4.025 1.384) 8.092 6.420 ( 1.390 3.614 2.719) 4.732 6.609 ( -0.124 -0.886 7.963) 8.013 6.738 ( 0.950 4.706 -2.749) 5.532 7.172 ( -0.663 -10.558 -0.926) 10.620 7.796 ( 9.078 8.439 5.352) 13.501 8.057 ( 1.614 12.275 -5.104) 13.391 8.275 ( 3.040 0.336 0.747) 3.148 8.374 ( -3.154 3.666 -4.586) 6.665 8.494 ( -1.494 -2.685 4.090) 5.115 8.618 ( -2.939 -8.463 -3.722) 9.701 9.109 ( -0.169 3.287 -8.721) 9.321 9.620 ( 5.331 -17.915 -11.208) 21.794 9.821 ( 8.753 15.713 7.656) 19.548 10.263 ( -8.773 3.818 6.475) 11.553 10.561 ( -2.831 -1.055 2.373) 3.842 10.772 ( -13.362 3.164 -4.405) 14.421 11.298 ( -8.645 -19.520 0.062) 21.348 11.401 ( -17.730 3.736 -2.242) 18.257 11.530 ( -12.241 -2.072 -8.269) 14.916 11.588 ( -14.361 -11.945 -4.119) 19.128 12.288 ( 6.068 3.550 -1.259) 7.142 12.434 ( 6.164 8.296 8.118) 13.143 12.514 ( 4.724 -6.854 -0.095) 8.325 12.985 ( 3.661 -15.154 5.768) 16.622 13.812 ( 2.261 6.922 -4.831) 8.738 14.087 ( -4.870 -3.378 -5.678) 8.208 14.404 ( -3.138 0.172 2.058) 3.757 14.480 ( 1.170 -3.206 3.714) 5.044 15.785 ( 1.652 18.736 2.228) 18.940 16.371 ( -5.575 -9.625 -3.161) 11.563 16.694 ( -8.512 5.110 1.027) 9.981 16.849 ( -10.649 -0.689 3.834) 11.339 18.301 ( 3.263 1.640 0.528) 3.690 18.413 ( 4.091 -3.221 0.397) 5.222 19.295 ( 6.785 11.598 -1.457) 13.516 19.791 ( 8.554 -12.164 -6.868) 16.380 ======================= Grid point 30 (19/205) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 11.332 13.226 -0.711) 17.431 2.278 ( 10.005 12.791 9.983) 19.062 2.403 ( 1.587 -9.761 -10.974) 14.773 2.812 ( -1.940 -11.354 5.307) 12.683 3.525 ( 0.329 5.865 -3.633) 6.907 3.653 ( 7.433 2.856 2.804) 8.442 3.758 ( -1.737 -0.626 1.091) 2.145 3.823 ( 3.979 -1.306 10.787) 11.571 4.543 ( 14.372 10.659 2.640) 18.088 4.786 ( 8.057 -1.533 2.929) 8.709 5.433 ( 8.279 6.165 -4.157) 11.127 5.635 ( 6.313 -3.177 -0.818) 7.114 6.450 ( 0.785 6.830 -0.556) 6.897 6.668 ( -1.828 7.769 7.888) 11.221 6.781 ( 4.323 -4.454 0.119) 6.208 7.161 ( 0.279 -11.489 -0.121) 11.493 7.885 ( -2.007 7.190 -3.172) 8.111 8.049 ( 0.904 5.806 -1.777) 6.139 8.178 ( 0.199 17.009 -3.806) 17.430 8.415 ( 4.447 4.974 -3.764) 7.660 8.469 ( -4.746 -6.759 -1.023) 8.322 8.550 ( -4.575 -1.479 4.777) 6.778 9.083 ( 4.566 3.499 -5.012) 7.629 9.574 ( 3.031 -15.095 -11.118) 18.991 9.990 ( 3.277 13.900 2.142) 14.441 10.239 ( 0.377 4.785 6.987) 8.477 10.485 ( -8.713 2.502 -2.072) 9.299 10.596 ( -5.747 -6.981 4.652) 10.168 11.088 ( -11.708 -15.846 -8.562) 21.482 11.129 ( -10.048 5.271 -0.958) 11.387 11.298 ( -9.138 -15.491 2.108) 18.109 11.374 ( -7.927 -14.240 -0.976) 16.327 12.321 ( -0.501 5.079 -1.682) 5.374 12.563 ( 3.377 3.268 4.072) 6.218 12.614 ( 3.609 -1.216 2.155) 4.376 13.052 ( 0.659 -14.950 1.247) 15.017 13.780 ( -0.148 3.180 -5.110) 6.021 13.981 ( -1.274 -4.802 -3.359) 5.997 14.390 ( -1.486 2.387 2.802) 3.970 14.550 ( 2.794 -3.301 2.795) 5.149 15.811 ( -0.504 14.681 0.585) 14.702 16.249 ( -4.313 -6.612 -3.326) 8.567 16.583 ( -5.636 5.548 1.957) 8.147 16.713 ( -9.883 0.418 4.194) 10.744 18.357 ( 2.762 2.080 0.240) 3.466 18.473 ( 3.085 -2.818 -1.110) 4.323 19.401 ( 5.951 9.113 0.025) 10.884 19.846 ( 5.438 -11.312 -5.740) 13.801 ======================= Grid point 31 (20/205) ======================= q-point: ( 0.44 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( 6.856 6.691 2.923) 10.016 2.311 ( -1.083 -3.218 -7.208) 7.968 2.535 ( 8.642 5.642 6.975) 12.457 2.765 ( -5.693 -4.562 -0.709) 7.330 3.499 ( 2.122 0.734 -4.413) 4.951 3.547 ( -6.072 -1.572 -0.030) 6.272 3.938 ( 6.004 2.480 1.935) 6.778 3.963 ( 0.760 0.779 6.674) 6.763 4.789 ( 8.574 6.911 3.608) 11.588 4.894 ( 1.917 2.820 -0.099) 3.412 5.492 ( 2.958 4.918 -2.555) 6.282 5.703 ( 2.586 -3.472 -0.944) 4.431 6.450 ( 0.290 8.936 -0.735) 8.971 6.706 ( -0.670 9.691 3.208) 10.230 6.842 ( 1.871 -7.027 0.343) 7.280 7.175 ( 0.576 -12.004 0.538) 12.029 7.786 ( -2.546 7.085 -3.163) 8.166 8.013 ( -1.457 2.921 -0.605) 3.320 8.182 ( 0.949 6.966 -2.655) 7.514 8.416 ( -0.889 4.742 1.695) 5.114 8.449 ( 1.655 6.555 -0.305) 6.767 8.508 ( -2.423 5.775 -0.124) 6.263 9.112 ( 1.882 4.605 -1.514) 5.200 9.522 ( 0.699 -11.029 -4.339) 11.872 9.993 ( -1.166 14.739 -1.300) 14.842 10.325 ( -2.500 5.124 6.350) 8.534 10.405 ( 3.349 -3.767 -2.779) 5.755 10.598 ( 1.689 -5.553 6.175) 8.475 10.796 ( -10.601 -11.031 -8.751) 17.625 11.033 ( -1.823 6.094 -0.172) 6.363 11.210 ( -4.654 -32.158 2.611) 32.597 11.299 ( -1.190 -12.374 0.031) 12.431 12.279 ( -1.627 6.093 -0.687) 6.344 12.626 ( -0.053 -7.158 2.149) 7.474 12.670 ( 2.181 7.377 -0.009) 7.693 13.057 ( -0.096 -13.841 -0.168) 13.843 13.728 ( -0.690 3.037 -2.150) 3.784 13.964 ( 0.635 -5.990 -0.858) 6.084 14.398 ( -0.285 4.455 1.220) 4.628 14.613 ( 1.598 -3.706 1.097) 4.183 15.793 ( -1.029 11.972 -0.264) 12.019 16.173 ( -1.595 -6.444 -1.314) 6.767 16.550 ( -0.014 4.532 0.763) 4.596 16.608 ( -5.724 2.361 2.038) 6.519 18.395 ( 1.254 2.125 0.197) 2.476 18.496 ( 0.980 -1.841 -0.847) 2.251 19.478 ( 2.363 6.978 0.379) 7.377 19.865 ( 1.721 -9.911 -2.307) 10.321 ======================= Grid point 36 (21/205) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.000 -22.060 0.000) 22.060 2.038 ( 0.000 22.060 0.000) 22.060 2.134 ( 0.000 -20.270 0.000) 20.270 2.134 ( 0.000 20.270 0.000) 20.270 3.263 ( 0.000 -16.362 0.000) 16.362 3.263 ( 0.000 16.362 0.000) 16.362 3.879 ( 0.000 -7.360 0.000) 7.360 3.879 ( 0.000 7.360 0.000) 7.360 4.329 ( 0.000 -3.604 0.000) 3.604 4.329 ( 0.000 3.604 0.000) 3.604 5.197 ( 0.000 -7.211 0.000) 7.211 5.197 ( 0.000 7.211 0.000) 7.211 6.394 ( 0.000 -3.803 0.000) 3.803 6.394 ( 0.000 3.803 0.000) 3.803 7.005 ( 0.000 -9.582 0.000) 9.582 7.005 ( 0.000 9.582 0.000) 9.582 7.689 ( 0.000 -10.991 0.000) 10.991 7.689 ( 0.000 10.991 0.000) 10.991 8.351 ( 0.000 -7.962 0.000) 7.962 8.351 ( 0.000 7.962 0.000) 7.962 8.637 ( 0.000 -1.375 0.000) 1.375 8.637 ( 0.000 1.375 0.000) 1.375 9.392 ( 0.000 -0.237 0.000) 0.237 9.392 ( 0.000 0.237 0.000) 0.237 9.921 ( 0.000 -17.981 0.000) 17.981 9.921 ( 0.000 17.981 0.000) 17.981 11.085 ( 0.000 -3.321 0.000) 3.321 11.085 ( 0.000 3.321 0.000) 3.321 11.593 ( 0.000 -15.871 0.000) 15.871 11.593 ( 0.000 15.871 0.000) 15.871 11.901 ( 0.000 -3.972 0.000) 3.972 11.901 ( 0.000 3.972 0.000) 3.972 12.288 ( 0.000 -16.657 0.000) 16.657 12.288 ( 0.000 16.657 0.000) 16.657 12.346 ( 0.000 -2.206 0.000) 2.206 12.346 ( 0.000 2.206 0.000) 2.206 14.069 ( 0.000 -14.770 0.000) 14.770 14.069 ( 0.000 14.770 0.000) 14.770 14.457 ( 0.000 -1.486 0.000) 1.486 14.457 ( 0.000 1.486 0.000) 1.486 16.158 ( 0.000 -20.451 0.000) 20.451 16.158 ( 0.000 20.451 0.000) 20.451 16.952 ( 0.000 -4.792 0.000) 4.792 16.952 ( 0.000 4.792 0.000) 4.792 18.251 ( 0.000 -2.147 0.000) 2.147 18.251 ( 0.000 2.147 0.000) 2.147 19.445 ( 0.000 -11.630 0.000) 11.630 19.445 ( 0.000 11.630 0.000) 11.630 ======================= Grid point 38 (22/205) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 4.644 -20.064 -1.846) 20.677 2.081 ( 4.644 20.064 -1.846) 20.677 2.211 ( 6.085 -18.611 4.696) 20.136 2.211 ( 6.085 18.611 4.696) 20.136 3.315 ( 4.715 -14.570 3.461) 15.700 3.315 ( 4.715 14.570 3.461) 15.700 3.867 ( -1.828 -8.571 -0.636) 8.787 3.867 ( -1.828 8.571 -0.636) 8.787 4.357 ( 4.321 -5.213 -0.311) 6.779 4.357 ( 4.321 5.213 -0.311) 6.779 5.268 ( 7.254 -6.401 0.722) 9.701 5.268 ( 7.254 6.401 0.722) 9.701 6.430 ( 1.720 -4.244 3.906) 6.019 6.430 ( 1.720 4.244 3.906) 6.019 6.981 ( -1.527 -10.545 -1.781) 10.803 6.981 ( -1.527 10.545 -1.781) 10.803 7.803 ( 8.819 -11.753 5.546) 15.706 7.803 ( 8.819 11.753 5.546) 15.706 8.348 ( -0.146 -7.906 -0.484) 7.922 8.348 ( -0.146 7.906 -0.484) 7.922 8.603 ( -1.334 -0.089 -4.076) 4.290 8.603 ( -1.334 0.089 -4.076) 4.290 9.351 ( 1.140 -9.430 -8.715) 12.891 9.351 ( 1.140 9.430 -8.715) 12.891 9.991 ( 2.724 -17.430 7.979) 19.362 9.991 ( 2.724 17.430 7.979) 19.362 10.933 ( -13.258 -10.687 -2.426) 17.201 10.933 ( -13.258 10.687 -2.426) 17.201 11.498 ( -8.877 -15.577 -4.924) 18.592 11.498 ( -8.877 15.577 -4.924) 18.592 11.803 ( -10.948 -2.858 -3.852) 11.952 11.803 ( -10.948 2.858 -3.852) 11.952 12.240 ( 3.635 -4.826 2.489) 6.535 12.240 ( 3.635 4.826 2.489) 6.535 12.528 ( 7.844 -12.513 5.471) 15.749 12.528 ( 7.844 12.513 5.471) 15.749 14.054 ( -0.039 -12.518 -4.044) 13.155 14.054 ( -0.039 12.518 -4.044) 13.155 14.433 ( -3.054 -1.309 1.716) 3.740 14.433 ( -3.054 1.309 1.716) 3.740 16.151 ( -1.166 -18.556 0.434) 18.598 16.151 ( -1.166 18.556 0.434) 18.598 16.905 ( -5.783 -4.531 0.987) 7.413 16.905 ( -5.783 4.531 0.987) 7.413 18.283 ( 2.692 -2.493 1.147) 3.845 18.283 ( 2.692 2.493 1.147) 3.845 19.473 ( 4.821 -12.020 -2.858) 13.262 19.473 ( 4.821 12.020 -2.858) 13.262 ======================= Grid point 40 (23/205) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 6.921 -16.879 -6.824) 19.477 2.135 ( 6.921 16.879 -6.824) 19.477 2.389 ( 5.588 -17.381 8.536) 20.154 2.389 ( 5.588 17.381 8.536) 20.154 3.506 ( 9.529 -9.113 9.215) 16.086 3.506 ( 9.529 9.113 9.215) 16.086 3.784 ( -5.335 -8.570 -3.549) 10.701 3.784 ( -5.335 8.570 -3.549) 10.701 4.491 ( 10.369 -7.038 1.739) 12.652 4.491 ( 10.369 7.038 1.739) 12.652 5.421 ( 9.848 -5.197 -1.230) 11.203 5.421 ( 9.848 5.197 -1.230) 11.203 6.518 ( 2.562 -5.477 5.468) 8.153 6.518 ( 2.562 5.477 5.468) 8.153 6.934 ( -1.330 -11.695 -1.606) 11.879 6.934 ( -1.330 11.695 -1.606) 11.879 8.023 ( 7.768 -12.020 3.831) 14.815 8.023 ( 7.768 12.020 3.831) 14.815 8.343 ( 1.371 -7.040 -0.251) 7.177 8.343 ( 1.371 7.040 -0.251) 7.177 8.524 ( -2.104 -1.910 -4.760) 5.543 8.524 ( -2.104 1.910 -4.760) 5.543 9.283 ( 3.250 -13.634 -11.033) 17.838 9.283 ( 3.250 13.634 -11.033) 17.838 10.142 ( 3.859 -14.218 8.762) 17.141 10.142 ( 3.859 14.218 8.762) 17.141 10.675 ( -13.545 -12.042 -0.395) 18.128 10.675 ( -13.545 12.042 -0.395) 18.128 11.230 ( -15.449 -13.806 -4.339) 21.168 11.230 ( -15.449 13.806 -4.339) 21.168 11.518 ( -14.759 -3.282 -4.847) 15.877 11.518 ( -14.759 3.282 -4.847) 15.877 12.378 ( 7.372 -5.403 0.703) 9.167 12.378 ( 7.372 5.403 0.703) 9.167 12.683 ( 3.435 -14.028 6.215) 15.723 12.683 ( 3.435 14.028 6.215) 15.723 13.974 ( -2.186 -7.581 -6.938) 10.507 13.974 ( -2.186 7.581 -6.938) 10.507 14.422 ( -1.006 -1.880 3.723) 4.290 14.422 ( -1.006 1.880 3.723) 4.290 16.125 ( -2.069 -14.302 -0.334) 14.455 16.125 ( -2.069 14.302 -0.334) 14.455 16.793 ( -8.784 -4.223 2.475) 10.056 16.793 ( -8.784 4.223 2.475) 10.056 18.349 ( 3.558 -2.879 0.772) 4.642 18.349 ( 3.558 2.879 0.772) 4.642 19.541 ( 6.690 -12.169 -3.654) 14.360 19.541 ( 6.690 12.169 -3.654) 14.360 ======================= Grid point 42 (24/205) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( 6.686 -11.456 -6.248) 14.663 2.184 ( 6.686 11.456 -6.248) 14.663 2.552 ( 3.511 -13.443 7.875) 15.971 2.552 ( 3.511 13.443 7.875) 15.971 3.634 ( -5.422 -4.417 -5.110) 8.661 3.634 ( -5.422 4.417 -5.110) 8.661 3.781 ( 8.490 -2.839 10.595) 13.871 3.781 ( 8.490 2.839 10.595) 13.871 4.713 ( 11.438 -5.844 3.101) 13.214 4.713 ( 11.438 5.844 3.101) 13.214 5.549 ( 7.604 -5.069 -3.778) 9.888 5.549 ( 7.604 5.069 -3.778) 9.888 6.607 ( 2.210 -7.929 3.332) 8.880 6.607 ( 2.210 7.929 3.332) 8.880 6.917 ( -0.185 -11.751 0.735) 11.776 6.917 ( -0.185 11.751 0.735) 11.776 8.037 ( -3.436 -6.535 -4.850) 8.834 8.037 ( -3.436 6.535 -4.850) 8.834 8.409 ( 0.869 -3.133 -1.362) 3.525 8.409 ( 0.869 3.133 -1.362) 3.525 8.490 ( 3.568 -2.924 2.756) 5.374 8.490 ( 3.568 2.924 2.756) 5.374 9.252 ( 4.884 -13.604 -8.636) 16.838 9.252 ( 4.884 13.604 -8.636) 16.838 10.253 ( 2.636 -8.379 1.057) 8.847 10.253 ( 2.636 8.379 1.057) 8.847 10.517 ( -7.440 -4.590 5.877) 10.533 10.517 ( -7.440 4.590 5.877) 10.533 10.924 ( -15.842 -10.383 -2.275) 19.078 10.924 ( -15.842 10.383 -2.275) 19.078 11.264 ( -9.052 -4.364 -3.269) 10.568 11.264 ( -9.052 4.364 -3.269) 10.568 12.453 ( 1.105 -7.052 -0.315) 7.145 12.453 ( 1.105 7.052 -0.315) 7.145 12.778 ( 2.161 -11.281 3.547) 12.021 12.778 ( 2.161 11.281 3.547) 12.021 13.876 ( -1.370 -5.385 -4.960) 7.448 13.876 ( -1.370 5.385 -4.960) 7.448 14.464 ( 1.266 -4.450 3.154) 5.599 14.464 ( 1.266 4.450 3.154) 5.599 16.071 ( -2.946 -10.638 -1.570) 11.150 16.071 ( -2.946 10.638 -1.570) 11.150 16.678 ( -7.464 -3.496 3.118) 8.813 16.678 ( -7.464 3.496 3.118) 8.813 18.410 ( 2.979 -3.016 0.051) 4.240 18.410 ( 2.979 3.016 0.051) 4.240 19.614 ( 5.222 -11.164 -2.650) 12.607 19.614 ( 5.222 11.164 -2.650) 12.607 ======================= Grid point 44 (25/205) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.228 ( 3.037 -4.879 -2.287) 6.185 2.228 ( 3.037 4.879 -2.287) 6.185 2.655 ( 1.310 -5.856 3.489) 6.941 2.655 ( 1.310 5.856 3.489) 6.941 3.518 ( -2.581 -1.215 -2.501) 3.794 3.518 ( -2.581 1.215 -2.501) 3.794 3.968 ( 3.365 -0.510 4.451) 5.604 3.968 ( 3.365 0.510 4.451) 5.604 4.892 ( 5.147 -2.904 1.870) 6.199 4.892 ( 5.147 2.904 1.870) 6.199 5.603 ( 2.794 -5.611 -2.420) 6.719 5.603 ( 2.794 5.611 -2.420) 6.719 6.655 ( 0.937 -10.356 0.725) 10.424 6.655 ( 0.937 10.356 0.725) 10.424 6.930 ( 0.114 -11.545 1.078) 11.596 6.930 ( 0.114 11.545 1.078) 11.596 7.925 ( -2.767 -6.470 -2.965) 7.636 7.925 ( -2.767 6.470 -2.965) 7.636 8.375 ( -0.916 -6.364 -0.994) 6.506 8.375 ( -0.916 6.364 -0.994) 6.506 8.588 ( 2.173 -2.044 1.891) 3.532 8.588 ( 2.173 2.044 1.891) 3.532 9.262 ( 2.706 -11.350 -3.203) 12.099 9.262 ( 2.706 11.350 -3.203) 12.099 10.291 ( 2.899 -10.072 -1.238) 10.553 10.291 ( 2.899 10.072 -1.238) 10.553 10.503 ( -1.252 -6.901 3.623) 7.894 10.503 ( -1.252 6.901 3.623) 7.894 10.673 ( -10.062 -11.210 -0.831) 15.086 10.673 ( -10.062 11.210 -0.831) 15.086 11.154 ( -2.200 -5.104 -0.605) 5.591 11.154 ( -2.200 5.104 -0.605) 5.591 12.441 ( -1.008 -9.372 -0.164) 9.427 12.441 ( -1.008 9.372 -0.164) 9.427 12.828 ( 0.999 -8.604 0.828) 8.701 12.828 ( 0.999 8.604 0.828) 8.701 13.833 ( -0.120 -6.371 -1.522) 6.551 13.833 ( -0.120 6.371 -1.522) 6.551 14.510 ( 0.975 -5.817 1.212) 6.021 14.510 ( 0.975 5.817 1.212) 6.021 16.012 ( -1.731 -9.256 -0.974) 9.467 16.012 ( -1.731 9.256 -0.974) 9.467 16.613 ( -2.745 -1.568 1.446) 3.476 16.613 ( -2.745 1.568 1.446) 3.476 18.446 ( 1.175 -2.681 -0.091) 2.929 18.446 ( 1.175 2.681 -0.091) 2.929 19.657 ( 1.907 -9.895 -0.930) 10.120 19.657 ( 1.907 9.895 -0.930) 10.120 ======================= Grid point 81 (26/205) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.461 ( -0.678 0.000 23.651) 23.661 0.500 ( 7.522 0.000 25.465) 26.552 0.980 ( -7.575 0.000 50.771) 51.333 2.922 ( -0.760 0.000 -1.733) 1.893 3.050 ( 4.482 0.000 3.811) 5.883 3.124 ( -0.775 0.000 0.406) 0.875 3.160 ( -2.736 0.000 -1.743) 3.244 3.887 ( -1.165 0.000 -2.737) 2.975 4.318 ( -0.034 0.000 -3.819) 3.819 4.862 ( -1.578 0.000 6.888) 7.066 4.872 ( 1.211 0.000 -6.278) 6.394 5.599 ( 3.684 0.000 0.141) 3.687 6.471 ( 3.303 0.000 -0.158) 3.307 6.520 ( -0.521 0.000 -9.014) 9.029 7.016 ( -0.778 0.000 12.539) 12.564 7.174 ( 0.562 0.000 2.907) 2.961 7.520 ( -3.353 0.000 1.190) 3.558 7.858 ( -5.059 0.000 -2.687) 5.728 8.224 ( -11.105 0.000 4.852) 12.119 8.314 ( 12.731 0.000 1.360) 12.804 8.457 ( 27.739 0.000 0.628) 27.747 8.797 ( -0.143 0.000 0.429) 0.452 9.264 ( 8.808 0.000 -10.235) 13.503 9.714 ( -7.120 0.000 -21.540) 22.686 9.996 ( 3.034 0.000 16.630) 16.905 10.519 ( 4.079 0.000 -5.390) 6.759 10.695 ( 8.045 0.000 -1.460) 8.176 10.998 ( -7.859 0.000 -4.643) 9.128 11.090 ( -2.750 0.000 2.783) 3.913 11.566 ( 8.174 0.000 -11.892) 14.430 11.991 ( -0.791 0.000 -5.847) 5.900 12.242 ( -28.646 0.000 -22.636) 36.510 13.066 ( 13.749 0.000 4.465) 14.456 13.127 ( -6.637 0.000 2.634) 7.141 13.294 ( 6.957 0.000 -0.134) 6.958 13.551 ( -30.344 0.000 -3.530) 30.549 13.560 ( 17.218 0.000 23.811) 29.384 13.756 ( -74.231 0.000 3.078) 74.295 14.561 ( -2.318 0.000 3.733) 4.394 14.733 ( -2.938 0.000 4.195) 5.121 14.839 ( -2.348 0.000 -0.042) 2.348 16.014 ( 34.197 0.000 -3.983) 34.428 16.863 ( -4.078 0.000 -1.253) 4.267 16.918 ( 3.092 0.000 -0.314) 3.108 18.336 ( 3.580 0.000 -3.539) 5.034 18.339 ( 12.997 0.000 -3.204) 13.386 18.498 ( -9.908 0.000 4.043) 10.701 18.521 ( 39.560 0.000 4.165) 39.779 ======================= Grid point 82 (27/205) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 19.191 0.000 19.694) 27.498 0.906 ( 4.440 0.000 30.002) 30.329 1.732 ( 35.172 0.000 31.819) 47.429 2.966 ( 8.393 0.000 -2.219) 8.681 3.053 ( -4.642 0.000 -6.926) 8.338 3.178 ( 11.237 0.000 -4.936) 12.274 3.225 ( 5.242 0.000 7.043) 8.780 3.857 ( -1.789 0.000 4.380) 4.732 4.224 ( -5.472 0.000 -4.841) 7.306 4.863 ( 4.622 0.000 -3.223) 5.635 4.881 ( -3.605 0.000 4.996) 6.161 5.657 ( 2.635 0.000 0.083) 2.637 6.389 ( -3.107 0.000 -8.821) 9.352 6.504 ( 0.445 0.000 0.286) 0.529 7.140 ( -0.542 0.000 12.175) 12.187 7.204 ( 1.679 0.000 -1.429) 2.205 7.481 ( -2.461 0.000 0.873) 2.611 7.761 ( -2.815 0.000 0.236) 2.825 8.039 ( -14.552 0.000 8.258) 16.731 8.567 ( 12.677 0.000 -1.949) 12.826 8.578 ( 0.470 0.000 -14.204) 14.212 8.815 ( -2.528 0.000 5.812) 6.338 9.380 ( -3.591 0.000 -18.865) 19.204 9.406 ( 6.181 0.000 -0.678) 6.218 10.143 ( -5.467 0.000 15.042) 16.005 10.491 ( -3.401 0.000 11.471) 11.965 10.575 ( -9.869 0.000 -21.729) 23.865 10.940 ( 6.826 0.000 -6.234) 9.244 10.977 ( -7.083 0.000 -1.082) 7.165 11.531 ( 4.316 0.000 -12.605) 13.323 11.676 ( -21.620 0.000 -1.588) 21.678 11.921 ( -0.280 0.000 -6.318) 6.324 12.648 ( -32.679 0.000 19.796) 38.208 12.908 ( -12.880 0.000 1.116) 12.928 13.356 ( 10.823 0.000 3.580) 11.399 13.358 ( -3.593 0.000 3.536) 5.041 13.590 ( 4.011 0.000 -2.576) 4.767 14.138 ( 22.884 0.000 10.934) 25.362 14.567 ( -4.439 0.000 12.143) 12.929 14.709 ( -2.942 0.000 2.401) 3.797 14.730 ( -8.973 0.000 -1.855) 9.163 16.074 ( -2.188 0.000 0.221) 2.199 16.696 ( -11.767 0.000 -5.653) 13.054 16.930 ( -2.948 0.000 1.800) 3.454 18.364 ( 4.915 0.000 -5.309) 7.235 18.382 ( -6.380 0.000 1.266) 6.504 18.640 ( 19.510 0.000 1.715) 19.585 19.474 ( 57.070 0.000 -33.712) 66.283 ======================= Grid point 83 (28/205) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( 8.706 0.000 32.061) 33.222 1.445 ( 24.425 0.000 17.814) 30.231 2.457 ( 20.098 0.000 0.532) 20.105 2.877 ( -1.883 0.000 -5.709) 6.012 3.223 ( -1.870 0.000 -6.800) 7.053 3.279 ( 25.468 0.000 10.643) 27.602 3.419 ( 15.904 0.000 -6.260) 17.092 3.910 ( -2.640 0.000 11.268) 11.573 4.107 ( -5.582 0.000 4.958) 7.466 4.836 ( -4.866 0.000 0.374) 4.880 4.966 ( 9.840 0.000 -1.709) 9.987 5.684 ( 1.678 0.000 -2.151) 2.728 6.265 ( -2.388 0.000 -5.614) 6.101 6.491 ( -1.062 0.000 -1.747) 2.044 7.217 ( -0.954 0.000 5.052) 5.141 7.220 ( 2.893 0.000 -1.641) 3.326 7.463 ( -0.313 0.000 1.576) 1.606 7.768 ( -1.379 0.000 6.305) 6.454 7.925 ( -12.416 0.000 11.927) 17.217 8.346 ( -8.132 0.000 -13.189) 15.495 8.607 ( -1.968 0.000 -10.268) 10.454 8.791 ( -2.236 0.000 3.483) 4.139 9.313 ( 5.505 0.000 -2.802) 6.177 9.355 ( -15.308 0.000 8.049) 17.295 10.173 ( -5.975 0.000 -22.715) 23.487 10.246 ( 1.767 0.000 13.241) 13.359 10.570 ( -0.914 0.000 6.068) 6.136 10.866 ( -2.181 0.000 -6.830) 7.170 10.919 ( -1.111 0.000 -5.657) 5.765 11.358 ( -15.270 0.000 -1.959) 15.395 11.598 ( 11.792 0.000 -2.992) 12.165 11.866 ( 1.177 0.000 -4.546) 4.696 12.544 ( -2.519 0.000 8.285) 8.660 12.721 ( -10.460 0.000 1.042) 10.512 13.304 ( -5.237 0.000 3.079) 6.075 13.544 ( 7.203 0.000 3.527) 8.021 13.678 ( 7.852 0.000 -2.170) 8.146 14.341 ( 1.640 0.000 -4.843) 5.113 14.507 ( -14.162 0.000 -2.358) 14.357 14.603 ( -6.593 0.000 4.355) 7.901 14.906 ( 15.855 0.000 16.712) 23.036 16.056 ( -0.610 0.000 0.713) 0.939 16.435 ( -11.293 0.000 -4.831) 12.282 16.846 ( -9.333 0.000 2.225) 9.594 18.319 ( -1.475 0.000 -0.031) 1.475 18.393 ( 4.744 0.000 -5.364) 7.161 18.990 ( 18.533 0.000 1.172) 18.570 19.850 ( 27.049 0.000 -24.622) 36.577 ======================= Grid point 84 (29/205) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 9.074 0.000 30.883) 32.188 2.042 ( 24.450 0.000 16.846) 29.692 2.412 ( -6.914 0.000 -9.816) 12.006 2.969 ( 14.097 0.000 -6.665) 15.593 2.976 ( -12.824 0.000 -14.016) 18.998 3.588 ( 14.526 0.000 -12.912) 19.435 3.912 ( 12.231 0.000 12.571) 17.540 3.962 ( 7.256 0.000 14.418) 16.141 4.144 ( -3.374 0.000 13.958) 14.360 4.729 ( -4.633 0.000 -5.086) 6.880 5.146 ( 13.152 0.000 -2.491) 13.386 5.666 ( 0.336 0.000 -5.042) 5.053 6.198 ( -0.917 0.000 -2.038) 2.235 6.436 ( -0.892 0.000 -5.264) 5.339 7.216 ( -0.236 0.000 -2.459) 2.470 7.264 ( 0.833 0.000 3.007) 3.120 7.536 ( 5.345 0.000 3.036) 6.147 7.771 ( -14.291 0.000 2.662) 14.537 7.784 ( -6.701 0.000 7.702) 10.209 8.174 ( -0.789 0.000 -0.539) 0.956 8.445 ( -2.292 0.000 -7.420) 7.766 8.809 ( -2.386 0.000 5.333) 5.843 9.100 ( -25.563 0.000 12.049) 28.260 9.394 ( 7.930 0.000 -2.745) 8.391 9.983 ( 0.640 0.000 -7.535) 7.562 10.397 ( 4.394 0.000 0.003) 4.394 10.563 ( -1.323 0.000 -3.960) 4.175 10.766 ( -1.880 0.000 -0.890) 2.080 10.792 ( -12.561 0.000 0.745) 12.583 11.162 ( -0.848 0.000 -4.337) 4.419 11.807 ( 14.410 0.000 -2.495) 14.624 11.884 ( 4.434 0.000 -2.010) 4.869 12.558 ( -9.779 0.000 0.002) 9.779 12.616 ( 1.414 0.000 4.453) 4.672 13.277 ( 0.326 0.000 1.407) 1.445 13.668 ( 3.374 0.000 2.716) 4.331 13.791 ( 6.209 0.000 0.323) 6.217 14.229 ( -15.402 0.000 -0.876) 15.427 14.298 ( -0.432 0.000 -1.923) 1.971 14.509 ( -6.637 0.000 0.425) 6.650 15.321 ( 14.632 0.000 9.659) 17.533 16.061 ( 0.838 0.000 -0.500) 0.976 16.236 ( -7.178 0.000 -3.040) 7.795 16.667 ( -12.736 0.000 0.709) 12.756 18.329 ( 1.695 0.000 0.711) 1.838 18.420 ( 3.779 0.000 -3.038) 4.848 19.254 ( 13.143 0.000 -3.993) 13.736 20.007 ( 15.103 0.000 -11.724) 19.119 ======================= Grid point 85 (30/205) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -15.902 0.000 2.059) 16.035 2.433 ( 8.283 0.000 22.126) 23.626 2.484 ( -8.108 0.000 -4.709) 9.376 2.674 ( 11.061 0.000 5.363) 12.293 3.143 ( 15.274 0.000 -9.197) 17.829 3.649 ( 9.900 0.000 -15.266) 18.195 3.836 ( -15.882 0.000 10.749) 19.177 4.206 ( -6.839 0.000 13.186) 14.854 4.333 ( 1.785 0.000 -3.600) 4.018 4.632 ( 3.365 0.000 -0.698) 3.437 5.318 ( 8.537 0.000 -4.025) 9.439 5.596 ( 0.002 0.000 -7.718) 7.718 6.191 ( 0.672 0.000 1.197) 1.373 6.368 ( 0.805 0.000 -7.435) 7.478 7.174 ( 0.627 0.000 -5.932) 5.965 7.302 ( -2.206 0.000 4.077) 4.635 7.495 ( -6.258 0.000 0.591) 6.286 7.695 ( -8.272 0.000 2.450) 8.628 7.741 ( 3.455 0.000 3.171) 4.689 8.311 ( 10.828 0.000 8.976) 14.064 8.404 ( 2.424 0.000 -3.176) 3.996 8.770 ( -26.954 0.000 14.392) 30.555 8.839 ( -1.462 0.000 9.952) 10.058 9.563 ( 10.304 0.000 3.197) 10.789 9.966 ( 1.091 0.000 -1.373) 1.754 10.292 ( -3.088 0.000 -19.116) 19.364 10.493 ( 1.963 0.000 -8.697) 8.916 10.593 ( -8.302 0.000 2.912) 8.797 10.846 ( 2.277 0.000 10.565) 10.807 11.189 ( 3.945 0.000 -0.635) 3.995 11.949 ( 3.771 0.000 0.004) 3.771 12.002 ( 10.083 0.000 -2.681) 10.433 12.387 ( -7.867 0.000 -2.495) 8.254 12.637 ( -2.649 0.000 1.049) 2.850 13.346 ( 3.976 0.000 2.399) 4.643 13.713 ( -0.360 0.000 1.597) 1.637 13.884 ( 3.180 0.000 1.533) 3.531 14.017 ( -8.347 0.000 2.754) 8.789 14.319 ( 3.194 0.000 0.958) 3.334 14.402 ( -4.741 0.000 -0.994) 4.844 15.534 ( 1.844 0.000 0.657) 1.957 16.044 ( -0.711 0.000 -4.828) 4.880 16.156 ( -0.173 0.000 1.349) 1.360 16.478 ( -7.067 0.000 -0.549) 7.088 18.357 ( 0.413 0.000 0.031) 0.415 18.485 ( 3.879 0.000 3.493) 5.220 19.335 ( 4.975 0.000 -10.373) 11.504 20.170 ( 11.197 0.000 0.092) 11.197 ======================= Grid point 86 (31/205) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -24.439 0.000 -0.280) 24.440 2.032 ( -23.373 0.000 -11.305) 25.963 2.832 ( 6.959 0.000 25.936) 26.854 3.067 ( 13.799 0.000 5.924) 15.017 3.277 ( 8.213 0.000 -5.713) 10.005 3.651 ( -14.473 0.000 5.418) 15.454 3.664 ( 9.584 0.000 -9.711) 13.644 3.969 ( -24.622 0.000 -16.462) 29.618 4.158 ( -12.314 0.000 9.512) 15.560 4.751 ( 3.951 0.000 1.362) 4.180 5.270 ( -7.275 0.000 -5.776) 9.289 5.569 ( 6.277 0.000 -9.390) 11.295 6.248 ( 2.946 0.000 3.700) 4.730 6.324 ( 2.934 0.000 -7.302) 7.870 7.118 ( -0.130 0.000 -6.209) 6.210 7.243 ( -4.757 0.000 1.444) 4.971 7.547 ( 6.369 0.000 3.017) 7.047 7.605 ( -1.791 0.000 -1.772) 2.519 7.774 ( -5.041 0.000 5.572) 7.514 8.425 ( 3.587 0.000 -3.265) 4.850 8.552 ( -10.547 0.000 12.115) 16.062 8.650 ( 10.872 0.000 13.961) 17.695 8.990 ( 3.723 0.000 14.815) 15.275 9.613 ( -10.242 0.000 2.065) 10.449 10.024 ( -3.239 0.000 -20.161) 20.419 10.129 ( 19.146 0.000 6.220) 20.131 10.419 ( 0.596 0.000 -11.847) 11.862 10.619 ( 4.551 0.000 4.065) 6.102 10.979 ( 1.927 0.000 7.317) 7.567 11.251 ( 2.140 0.000 3.782) 4.346 11.995 ( -8.590 0.000 -2.529) 8.955 12.006 ( 1.560 0.000 2.563) 3.001 12.343 ( 8.212 0.000 -4.541) 9.383 12.560 ( -4.566 0.000 -2.938) 5.429 13.380 ( -4.797 0.000 4.514) 6.587 13.698 ( -2.963 0.000 0.928) 3.105 13.919 ( -1.786 0.000 3.831) 4.227 14.074 ( 9.892 0.000 4.417) 10.833 14.316 ( -1.936 0.000 -1.013) 2.184 14.433 ( 5.862 0.000 1.674) 6.097 15.354 ( -17.719 0.000 -7.244) 19.143 15.972 ( -0.679 0.000 -5.716) 5.756 16.224 ( 5.234 0.000 2.216) 5.684 16.467 ( 5.793 0.000 -1.143) 5.904 18.348 ( -1.293 0.000 0.324) 1.333 18.600 ( 1.617 0.000 8.486) 8.639 19.233 ( -2.753 0.000 -12.385) 12.687 20.377 ( 9.271 0.000 5.544) 10.802 ======================= Grid point 87 (32/205) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -27.762 0.000 5.759) 28.353 1.509 ( -26.655 0.000 -7.331) 27.645 3.064 ( -31.951 0.000 2.631) 32.060 3.156 ( 1.111 0.000 -9.276) 9.342 3.163 ( -9.041 0.000 7.080) 11.484 3.367 ( -9.099 0.000 -0.578) 9.117 3.588 ( 3.363 0.000 -5.297) 6.275 3.788 ( -1.069 0.000 2.966) 3.153 4.044 ( -2.608 0.000 6.146) 6.676 4.784 ( 0.371 0.000 -0.303) 0.479 5.056 ( -8.683 0.000 -5.783) 10.433 5.566 ( 4.520 0.000 -9.551) 10.567 6.315 ( 3.968 0.000 -6.291) 7.438 6.357 ( 4.548 0.000 4.602) 6.470 7.044 ( -2.081 0.000 -4.426) 4.891 7.201 ( -1.972 0.000 0.622) 2.068 7.605 ( 4.122 0.000 -2.564) 4.854 7.669 ( 0.716 0.000 -0.815) 1.085 7.745 ( -2.354 0.000 13.604) 13.806 8.456 ( 4.685 0.000 -5.324) 7.092 8.596 ( 5.244 0.000 -1.033) 5.345 8.949 ( 6.153 0.000 16.895) 17.981 9.137 ( -8.406 0.000 8.744) 12.130 9.501 ( 2.460 0.000 5.147) 5.705 9.823 ( -1.540 0.000 -9.477) 9.601 10.246 ( -4.397 0.000 -16.446) 17.023 10.587 ( 12.952 0.000 13.398) 18.635 10.766 ( 17.598 0.000 -2.851) 17.828 11.055 ( 0.759 0.000 3.300) 3.386 11.351 ( 0.093 0.000 7.431) 7.432 11.805 ( -7.116 0.000 1.182) 7.214 12.057 ( 0.070 0.000 4.531) 4.531 12.447 ( -3.547 0.000 -4.028) 5.367 12.485 ( 11.781 0.000 -3.227) 12.215 13.325 ( -6.108 0.000 5.693) 8.350 13.626 ( -6.448 0.000 0.772) 6.494 13.899 ( -5.725 0.000 4.862) 7.511 14.277 ( -0.424 0.000 -7.093) 7.106 14.357 ( 15.456 0.000 4.770) 16.175 14.552 ( 5.196 0.000 2.307) 5.685 14.879 ( -25.784 0.000 -6.774) 26.659 15.909 ( 0.348 0.000 -6.418) 6.428 16.379 ( 9.984 0.000 3.051) 10.440 16.591 ( 9.948 0.000 -2.817) 10.339 18.328 ( -1.524 0.000 0.663) 1.662 18.687 ( -3.139 0.000 10.372) 10.837 19.008 ( -8.933 0.000 -11.670) 14.696 20.579 ( 7.936 0.000 4.297) 9.024 ======================= Grid point 88 (33/205) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( -26.700 0.000 17.029) 31.669 0.992 ( -28.503 0.000 -1.072) 28.523 2.127 ( -56.846 0.000 -7.614) 57.354 3.042 ( -1.419 0.000 -8.590) 8.706 3.128 ( -7.839 0.000 1.514) 7.984 3.283 ( -7.306 0.000 5.221) 8.980 3.562 ( -20.041 0.000 1.445) 20.093 3.729 ( 9.379 0.000 3.121) 9.884 4.221 ( 9.115 0.000 2.545) 9.463 4.785 ( -0.104 0.000 0.988) 0.994 4.912 ( -1.862 0.000 -3.494) 3.959 5.544 ( 3.434 0.000 -7.410) 8.167 6.336 ( 5.119 0.000 -4.531) 6.836 6.481 ( 5.335 0.000 2.220) 5.779 6.971 ( -3.286 0.000 -0.218) 3.293 7.174 ( -2.058 0.000 0.640) 2.155 7.615 ( -4.956 0.000 2.736) 5.661 7.688 ( 7.268 0.000 -0.111) 7.269 7.946 ( 7.024 0.000 12.893) 14.682 8.440 ( 0.693 0.000 -9.297) 9.323 8.518 ( 1.320 0.000 -29.058) 29.088 8.948 ( -12.580 0.000 0.948) 12.616 9.306 ( 9.492 0.000 29.320) 30.818 9.741 ( 11.160 0.000 7.868) 13.655 9.756 ( -6.032 0.000 0.779) 6.082 9.972 ( -6.246 0.000 -10.868) 12.535 10.689 ( -0.150 0.000 -0.831) 0.845 11.071 ( -0.383 0.000 -0.664) 0.766 11.206 ( 24.046 0.000 -6.483) 24.905 11.274 ( -9.343 0.000 4.832) 10.519 11.975 ( 13.714 0.000 19.665) 23.975 12.087 ( -1.678 0.000 3.098) 3.524 12.418 ( 2.209 0.000 5.680) 6.095 12.674 ( 12.922 0.000 -0.842) 12.950 13.319 ( -2.233 0.000 8.248) 8.545 13.500 ( -9.029 0.000 0.341) 9.035 13.826 ( -8.123 0.000 4.264) 9.174 13.939 ( -23.466 0.000 -21.939) 32.125 14.561 ( -4.963 0.000 1.609) 5.217 14.638 ( 11.534 0.000 3.532) 12.062 14.658 ( 0.504 0.000 6.548) 6.567 15.844 ( 0.307 0.000 -8.297) 8.302 16.623 ( 13.940 0.000 4.016) 14.507 16.728 ( 9.582 0.000 -3.486) 10.196 18.314 ( -0.415 0.000 0.086) 0.424 18.694 ( -7.916 0.000 9.648) 12.480 18.711 ( -12.372 0.000 -9.755) 15.755 20.685 ( 6.345 0.000 -13.562) 14.973 ======================= Grid point 89 (34/205) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -26.668 0.000 10.523) 28.669 0.622 ( -24.992 0.000 20.515) 32.334 1.134 ( -55.907 0.000 16.113) 58.183 2.983 ( 0.931 0.000 -1.117) 1.454 3.005 ( -7.412 0.000 1.383) 7.540 3.213 ( -3.760 0.000 0.367) 3.777 3.259 ( -14.126 0.000 -0.369) 14.131 3.873 ( 4.490 0.000 0.869) 4.573 4.320 ( 3.114 0.000 -1.984) 3.692 4.812 ( -0.182 0.000 4.934) 4.937 4.897 ( 2.523 0.000 -4.102) 4.816 5.547 ( 3.610 0.000 -3.206) 4.827 6.399 ( 5.758 0.000 -1.820) 6.039 6.555 ( 3.660 0.000 -3.662) 5.178 6.946 ( -2.680 0.000 6.392) 6.931 7.152 ( -1.878 0.000 2.680) 3.273 7.568 ( -4.041 0.000 2.778) 4.904 7.839 ( 7.367 0.000 2.581) 7.806 8.114 ( -2.810 0.000 -9.817) 10.211 8.224 ( -0.603 0.000 8.387) 8.409 8.288 ( -4.054 0.000 -9.463) 10.295 8.820 ( -3.490 0.000 0.128) 3.492 9.445 ( -7.111 0.000 -21.436) 22.585 9.772 ( 4.258 0.000 19.717) 20.171 9.910 ( 4.419 0.000 -6.758) 8.074 10.137 ( 14.836 0.000 32.089) 35.353 10.632 ( -0.404 0.000 -3.779) 3.800 11.049 ( 0.435 0.000 -0.897) 0.997 11.129 ( -7.107 0.000 2.875) 7.667 11.486 ( 14.328 0.000 -9.509) 17.196 12.058 ( -2.094 0.000 -1.861) 2.802 12.548 ( 25.383 0.000 20.237) 32.463 12.836 ( 1.911 0.000 -12.981) 13.121 12.847 ( 31.791 0.000 30.482) 44.044 13.216 ( -16.867 0.000 -8.357) 18.824 13.411 ( -15.010 0.000 5.536) 15.998 13.516 ( 14.942 0.000 33.006) 36.230 13.720 ( -8.315 0.000 4.462) 9.436 14.554 ( -0.735 0.000 2.586) 2.688 14.718 ( -0.870 0.000 5.241) 5.312 14.801 ( 4.836 0.000 0.669) 4.882 15.708 ( -6.304 0.000 -12.439) 13.945 16.842 ( 7.252 0.000 -2.514) 7.675 16.883 ( 10.055 0.000 1.812) 10.217 18.317 ( 1.531 0.000 -1.449) 2.108 18.439 ( -8.141 0.000 -5.364) 9.749 18.619 ( -10.521 0.000 7.209) 12.754 20.059 ( -47.662 0.000 -95.081) 106.359 ======================= Grid point 90 (35/205) ======================= q-point: ( 0.00 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -3.861 19.806 16.834) 26.279 0.797 ( 6.445 20.875 19.007) 28.958 1.400 ( -3.955 35.705 30.671) 47.235 3.002 ( 4.286 -4.950 3.919) 7.630 3.055 ( -2.887 2.241 -0.181) 3.659 3.132 ( 0.690 7.393 -3.059) 8.030 3.200 ( -1.226 6.336 -0.505) 6.473 3.848 ( -1.297 -2.925 -1.782) 3.662 4.324 ( -0.263 0.475 -4.374) 4.408 4.783 ( -1.359 -6.950 7.172) 10.079 4.882 ( 1.931 0.981 -5.435) 5.850 5.577 ( 3.654 -2.689 -1.169) 4.685 6.410 ( 2.429 -3.699 -2.011) 4.861 6.579 ( 0.106 3.809 -5.947) 7.064 6.874 ( -1.072 -9.518 7.875) 12.400 7.283 ( 0.149 5.453 4.837) 7.291 7.456 ( -0.721 -3.926 0.979) 4.110 7.896 ( -5.685 2.766 4.155) 7.565 8.159 ( 6.310 -6.870 -1.099) 9.393 8.284 ( 0.124 2.261 1.842) 2.919 8.603 ( 11.191 14.634 5.927) 19.353 8.873 ( -2.005 2.029 -4.496) 5.325 9.302 ( 5.598 0.290 -8.064) 9.821 9.542 ( -8.678 -14.319 -5.963) 17.774 10.008 ( 7.039 -4.923 9.807) 13.037 10.306 ( 7.032 -9.386 -8.206) 14.314 10.753 ( -13.846 1.948 9.513) 16.911 10.838 ( 0.041 -2.640 3.938) 4.742 11.219 ( 6.708 9.035 2.536) 11.535 11.591 ( 5.028 4.476 -9.060) 11.287 11.939 ( -8.870 -9.331 -3.749) 13.409 12.141 ( -12.216 -16.446 6.843) 21.600 12.346 ( -23.448 -10.686 2.287) 25.869 12.945 ( 4.142 -14.900 6.056) 16.608 13.066 ( -6.120 -20.329 2.928) 21.431 13.258 ( 11.443 -10.412 7.513) 17.199 13.584 ( -8.417 -2.765 4.365) 9.876 13.942 ( 3.540 15.659 5.098) 16.844 14.281 ( 8.066 2.113 5.481) 9.979 14.603 ( -3.064 0.374 4.860) 5.758 14.958 ( -1.755 11.430 3.255) 12.014 16.768 ( 3.591 2.323 -14.048) 14.684 16.850 ( -3.422 -0.893 -0.457) 3.566 17.137 ( -7.413 11.791 -6.263) 15.271 18.258 ( 2.169 -4.238 -0.763) 4.821 18.392 ( 3.292 -1.528 0.880) 3.734 18.619 ( -1.902 12.406 -2.751) 12.849 19.187 ( 20.652 33.642 -38.864) 55.396 ======================= Grid point 91 (36/205) ======================= q-point: ( 0.11 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 4.909 11.490 23.377) 26.507 1.169 ( 12.541 18.203 17.295) 28.067 1.986 ( 30.426 22.313 27.284) 46.562 2.963 ( -3.612 -7.326 -6.993) 10.753 3.077 ( 3.519 8.238 -2.356) 9.263 3.197 ( 4.609 -1.810 6.276) 7.994 3.294 ( 12.840 10.288 -3.194) 16.761 3.830 ( -0.985 -2.242 3.999) 4.689 4.222 ( -5.322 -0.204 -5.262) 7.487 4.813 ( -1.229 -4.804 3.939) 6.333 4.904 ( 4.505 2.432 -1.520) 5.341 5.627 ( 3.002 -2.934 -0.371) 4.214 6.373 ( -1.561 -1.212 -6.600) 6.889 6.526 ( -0.839 2.174 -1.161) 2.603 6.946 ( 0.972 -10.423 5.698) 11.919 7.331 ( 0.618 4.147 2.448) 4.856 7.493 ( 1.581 1.879 2.854) 3.765 7.831 ( -4.966 5.345 3.668) 8.166 7.995 ( -10.763 -1.362 1.221) 10.917 8.483 ( 3.255 -7.046 -7.406) 10.728 8.684 ( 2.643 2.981 1.922) 4.424 8.867 ( 2.198 10.129 -1.819) 10.523 9.306 ( -3.056 -5.646 -10.138) 12.000 9.353 ( -1.194 -6.434 3.209) 7.288 10.235 ( -2.450 5.112 17.001) 17.921 10.262 ( 6.810 -22.199 -17.043) 28.804 10.583 ( -13.489 2.664 1.811) 13.868 10.700 ( -8.232 1.099 0.097) 8.306 11.344 ( 3.443 14.192 -2.348) 14.791 11.499 ( -0.456 -1.692 -13.043) 13.160 11.693 ( -15.313 2.659 -0.622) 15.554 11.995 ( -1.134 5.444 -6.779) 8.768 12.290 ( -1.318 -22.958 17.156) 28.690 12.775 ( -16.319 -12.387 0.932) 20.509 13.048 ( -2.713 -16.525 3.121) 17.035 13.463 ( 7.874 -7.549 -0.490) 10.919 13.591 ( 3.059 3.005 2.438) 4.933 14.163 ( 11.892 0.370 4.731) 12.804 14.473 ( 5.428 -7.845 5.314) 10.921 14.577 ( -5.723 0.387 4.212) 7.116 14.954 ( -3.276 17.857 7.056) 19.478 16.468 ( -13.129 18.684 -10.031) 24.942 16.693 ( -10.887 -0.121 -3.999) 11.599 16.972 ( -7.401 4.623 3.639) 9.455 18.305 ( 1.234 -4.368 0.995) 4.647 18.393 ( 1.423 1.607 -3.754) 4.324 18.731 ( 13.402 7.200 0.817) 15.235 19.537 ( 41.511 4.197 -30.363) 51.601 ======================= Grid point 92 (37/205) ======================= q-point: ( 0.22 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 10.629 5.598 27.110) 29.653 1.606 ( 18.855 12.130 16.308) 27.724 2.583 ( 7.845 6.786 -3.262) 10.874 2.874 ( 7.102 3.356 0.096) 7.856 3.194 ( 4.355 -1.771 -1.500) 4.934 3.299 ( 12.624 1.848 0.621) 12.774 3.553 ( 19.377 10.894 -0.142) 22.230 3.884 ( -2.051 -2.007 9.045) 9.489 4.110 ( -4.524 0.343 4.528) 6.410 4.809 ( -2.541 -2.293 0.686) 3.491 5.005 ( 9.589 3.660 -1.973) 10.452 5.664 ( 2.647 -1.912 -2.075) 3.869 6.273 ( -1.950 0.964 -5.298) 5.727 6.504 ( -0.860 1.449 -1.620) 2.338 7.024 ( 2.784 -8.960 3.601) 10.050 7.348 ( 1.852 2.235 -2.529) 3.850 7.532 ( -1.090 7.319 3.681) 8.265 7.793 ( -3.626 2.907 1.115) 4.779 7.914 ( -6.845 -1.197 12.271) 14.101 8.306 ( -6.093 -3.153 -10.980) 12.947 8.627 ( -6.746 2.057 -8.289) 10.883 8.895 ( -2.241 7.978 5.684) 10.048 9.219 ( -8.748 -9.843 3.668) 13.670 9.362 ( 2.198 2.819 1.359) 3.824 10.063 ( -1.515 -11.051 -21.674) 24.376 10.292 ( -3.592 3.311 11.418) 12.419 10.593 ( 8.103 -7.049 2.784) 11.095 10.648 ( -4.342 3.009 5.515) 7.637 11.105 ( -11.618 5.862 -13.739) 18.923 11.362 ( -16.794 0.533 -2.463) 16.982 11.620 ( 10.690 1.920 -1.591) 10.977 11.970 ( 3.517 8.206 -3.961) 9.767 12.462 ( 4.236 -8.845 6.720) 11.889 12.566 ( -9.131 -14.345 3.136) 17.291 13.000 ( -6.168 -16.182 2.956) 17.568 13.564 ( 5.756 -9.087 -1.411) 10.849 13.677 ( 4.758 3.173 0.385) 5.732 14.266 ( -0.413 -7.979 -3.766) 8.833 14.493 ( -6.561 0.656 1.380) 6.737 14.575 ( -0.344 -4.172 4.011) 5.798 15.074 ( 6.477 17.666 12.463) 22.569 16.245 ( -5.305 12.127 -4.505) 13.982 16.469 ( -10.171 3.480 -2.735) 11.092 16.864 ( -10.587 2.071 3.644) 11.386 18.308 ( -0.198 -0.993 0.307) 1.058 18.404 ( 4.456 1.111 -5.073) 6.843 19.011 ( 16.322 2.173 0.821) 16.486 19.822 ( 24.126 -2.716 -21.784) 32.619 ======================= Grid point 93 (38/205) ======================= q-point: ( 0.33 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 10.223 2.461 27.348) 29.300 2.114 ( 21.084 5.694 14.660) 26.304 2.426 ( -8.097 0.199 -7.132) 10.792 2.946 ( -6.413 -0.309 -10.054) 11.929 3.102 ( 7.193 9.565 -8.400) 14.621 3.585 ( 15.428 0.387 -9.236) 17.985 3.897 ( -8.844 -4.060 11.742) 15.251 3.987 ( 17.511 3.650 9.920) 20.454 4.199 ( 5.875 6.053 13.296) 15.746 4.740 ( -3.131 1.078 -4.744) 5.785 5.176 ( 12.544 2.813 -2.745) 13.145 5.670 ( 1.676 0.274 -4.395) 4.712 6.214 ( -0.514 1.731 -2.038) 2.723 6.456 ( -0.656 2.059 -5.185) 5.617 7.092 ( 0.714 -6.688 2.108) 7.049 7.357 ( 2.820 2.483 -3.819) 5.357 7.572 ( 2.830 5.228 3.216) 6.759 7.706 ( -8.712 -1.992 2.945) 9.409 7.924 ( -6.367 7.965 7.259) 12.517 8.174 ( -0.177 0.705 -0.281) 0.779 8.425 ( -4.967 -1.359 -7.369) 8.990 8.884 ( -7.056 5.189 8.157) 11.969 9.036 ( -18.038 -4.907 9.150) 20.812 9.434 ( 7.180 3.980 -2.766) 8.663 9.907 ( -0.827 -6.036 -7.551) 9.702 10.374 ( 3.482 -1.964 2.926) 4.954 10.616 ( -2.482 3.590 -0.872) 4.451 10.724 ( -4.448 -1.894 -5.274) 7.155 10.823 ( -4.365 0.277 4.531) 6.297 11.082 ( -5.895 -4.208 -8.197) 10.938 11.801 ( 12.661 -3.210 -3.455) 13.511 12.010 ( 3.317 9.418 -0.944) 10.030 12.406 ( -8.484 -5.589 1.988) 10.352 12.645 ( 5.127 -10.525 4.249) 12.454 12.913 ( -6.267 -18.737 1.789) 19.838 13.632 ( 2.493 -11.025 0.474) 11.313 13.749 ( 4.307 -0.284 -1.449) 4.553 14.159 ( -6.280 -4.464 -1.567) 7.863 14.409 ( -3.895 1.482 0.415) 4.188 14.561 ( -3.386 6.219 1.636) 7.267 15.332 ( 8.818 4.700 7.530) 12.512 16.172 ( 0.426 7.193 -2.388) 7.591 16.309 ( -6.189 6.552 -1.416) 9.123 16.682 ( -13.537 1.886 1.754) 13.780 18.329 ( 1.855 0.052 0.677) 1.975 18.432 ( 3.829 1.116 -2.851) 4.902 19.249 ( 12.098 -0.188 -3.579) 12.618 19.972 ( 14.347 -3.375 -10.808) 18.277 ======================= Grid point 94 (39/205) ======================= q-point: ( 0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -13.379 3.480 3.469) 14.253 2.429 ( 7.032 -0.292 20.683) 21.847 2.495 ( -5.820 1.074 -3.854) 7.063 2.696 ( 8.125 1.351 1.187) 8.322 3.232 ( 13.344 7.586 -5.823) 16.417 3.662 ( 9.226 1.342 -14.456) 17.202 3.804 ( -14.627 -2.797 10.370) 18.147 4.128 ( -5.667 -4.346 6.008) 9.333 4.479 ( 0.892 10.644 0.997) 10.727 4.651 ( 3.857 1.957 -0.895) 4.417 5.334 ( 7.865 1.662 -3.481) 8.760 5.632 ( 0.929 3.211 -6.595) 7.393 6.214 ( 0.897 2.309 1.191) 2.749 6.390 ( 0.952 2.344 -7.519) 7.933 7.083 ( -1.224 -5.919 -2.412) 6.508 7.367 ( 1.130 2.704 -0.867) 3.056 7.542 ( -5.660 5.098 1.440) 7.752 7.724 ( 3.439 -0.702 3.335) 4.841 7.836 ( -7.694 12.188 1.966) 14.547 8.291 ( 6.169 -1.050 7.252) 9.579 8.355 ( 3.373 -3.952 -1.095) 5.310 8.773 ( -19.474 -1.931 13.765) 23.925 8.913 ( -3.637 7.188 8.491) 11.704 9.598 ( 9.741 3.200 3.807) 10.937 9.819 ( -1.603 -8.698 -3.127) 9.381 10.374 ( -3.294 3.478 -16.463) 17.145 10.506 ( -3.198 -4.125 2.905) 5.973 10.561 ( 0.164 4.211 -4.546) 6.198 10.879 ( -1.602 1.138 4.410) 4.828 11.081 ( 6.465 -8.180 2.556) 10.735 11.962 ( 10.571 -9.947 -6.881) 16.064 12.041 ( 1.016 6.042 0.634) 6.160 12.277 ( -8.148 1.045 1.161) 8.296 12.719 ( -0.808 -0.293 0.913) 1.254 12.853 ( -2.043 -31.633 2.287) 31.781 13.661 ( 0.246 -10.785 1.705) 10.922 13.809 ( 4.391 -4.649 -0.108) 6.396 14.078 ( -3.276 2.735 2.219) 4.810 14.363 ( -1.985 -1.667 -0.536) 2.647 14.527 ( -1.522 12.033 1.074) 12.176 15.460 ( 0.533 -1.970 0.217) 2.052 16.198 ( 3.221 10.319 -3.163) 11.263 16.224 ( -1.705 5.405 0.331) 5.677 16.479 ( -9.185 0.938 0.094) 9.233 18.358 ( 0.491 0.182 0.091) 0.531 18.496 ( 3.694 0.919 3.092) 4.904 19.327 ( 4.660 -0.433 -9.176) 10.301 20.124 ( 10.428 -4.320 -0.415) 11.295 ======================= Grid point 95 (40/205) ======================= q-point: (-0.44 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -22.146 8.326 1.465) 23.705 2.086 ( -21.159 4.780 -11.255) 24.438 2.794 ( 5.920 -3.493 23.725) 24.700 2.992 ( 12.038 -5.310 1.146) 13.207 3.410 ( 9.765 9.651 -1.793) 13.845 3.633 ( -14.589 -1.331 6.288) 15.942 3.667 ( 8.493 0.156 -9.342) 12.627 3.905 ( -19.608 -3.831 -10.010) 22.346 4.293 ( -14.303 10.417 1.989) 17.806 4.766 ( 3.116 1.641 0.575) 3.568 5.314 ( -5.583 4.044 -4.066) 8.003 5.596 ( 4.009 2.589 -9.095) 10.271 6.268 ( 2.474 2.155 3.635) 4.897 6.345 ( 2.760 2.065 -7.557) 8.306 7.019 ( -2.129 -6.180 -3.764) 7.543 7.347 ( -1.923 5.280 -1.324) 5.773 7.571 ( 5.883 5.023 2.610) 8.164 7.731 ( -2.877 8.284 0.085) 8.770 7.778 ( -4.010 2.410 4.318) 6.367 8.344 ( 0.778 -4.473 2.544) 5.204 8.591 ( 9.381 -4.085 9.899) 14.236 8.645 ( -6.654 3.877 8.414) 11.407 9.016 ( 0.939 2.526 13.523) 13.788 9.606 ( -6.180 -0.736 1.222) 6.343 9.973 ( 5.909 -0.551 -8.493) 10.361 10.148 ( 6.642 -1.148 -0.409) 6.752 10.502 ( 2.200 7.263 -8.792) 11.614 10.606 ( 5.560 -1.048 2.495) 6.184 10.874 ( -2.218 -8.659 1.739) 9.106 11.245 ( 5.780 -0.911 8.249) 10.113 11.907 ( -6.629 -8.563 -4.850) 11.866 12.139 ( 9.945 -6.342 -4.432) 12.600 12.182 ( -5.031 7.167 2.735) 9.173 12.659 ( -3.348 3.408 -3.303) 5.808 12.871 ( -1.035 -33.510 4.591) 33.839 13.684 ( -0.312 -10.196 2.206) 10.437 13.889 ( 0.380 -3.417 3.862) 5.171 14.094 ( 3.647 1.857 2.477) 4.784 14.331 ( 0.279 -1.102 -2.039) 2.334 14.531 ( 0.355 7.748 0.463) 7.770 15.341 ( -11.658 3.088 -4.035) 12.717 16.140 ( -1.029 12.049 -3.722) 12.653 16.287 ( 4.322 5.666 0.826) 7.174 16.445 ( 5.505 -1.792 -1.262) 5.925 18.350 ( -1.340 0.262 0.348) 1.409 18.599 ( 1.267 -0.285 7.344) 7.458 19.239 ( -2.464 0.933 -10.729) 11.048 20.306 ( 7.872 -6.652 4.442) 11.223 ======================= Grid point 96 (41/205) ======================= q-point: (-0.33 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( -24.737 13.123 5.804) 28.598 1.611 ( -22.966 8.947 -7.306) 25.708 3.020 ( -5.248 -6.020 6.708) 10.429 3.085 ( -0.817 -4.954 -4.132) 6.503 3.192 ( -30.386 4.291 -3.286) 30.863 3.473 ( -11.002 6.515 0.513) 12.797 3.570 ( 6.584 -0.216 -5.384) 8.507 3.817 ( 3.084 2.524 3.495) 5.301 4.112 ( -6.936 6.275 4.686) 10.461 4.769 ( -1.233 -1.222 -1.344) 2.196 5.130 ( -9.001 6.867 -4.298) 12.110 5.561 ( 3.170 -0.278 -9.781) 10.286 6.325 ( 3.059 0.690 -5.874) 6.658 6.367 ( 4.286 1.579 3.739) 5.903 6.945 ( -2.518 -6.588 -2.783) 7.582 7.299 ( -2.035 6.052 -1.234) 6.503 7.684 ( 2.264 6.521 -1.062) 6.984 7.700 ( -2.855 3.530 0.174) 4.543 7.791 ( 1.971 4.911 11.963) 13.081 8.399 ( 4.197 -3.609 -3.928) 6.788 8.676 ( 2.528 3.907 4.048) 6.168 8.818 ( 6.878 -8.930 6.343) 12.934 9.127 ( -3.675 -0.155 9.063) 9.781 9.570 ( -4.387 4.858 5.749) 8.712 9.787 ( 0.447 -3.085 -10.066) 10.538 10.362 ( -0.298 8.576 -11.708) 14.516 10.581 ( 9.018 0.198 13.684) 16.389 10.712 ( 8.181 -5.926 0.384) 10.109 10.906 ( 7.978 -8.620 -0.466) 11.755 11.421 ( 3.805 3.561 6.313) 8.186 11.751 ( -4.955 -4.315 0.417) 6.584 12.145 ( -2.854 5.240 2.939) 6.652 12.273 ( 11.132 -11.321 -3.061) 16.170 12.558 ( -5.178 0.618 -1.783) 5.511 12.909 ( 0.316 -25.041 4.482) 25.441 13.674 ( -3.219 -10.604 0.534) 11.095 13.836 ( -9.414 0.609 2.309) 9.713 14.232 ( 5.543 -6.788 -1.134) 8.837 14.341 ( 4.095 0.331 -2.148) 4.636 14.525 ( -0.437 -0.617 -0.666) 1.007 15.059 ( -14.911 16.796 -0.774) 22.472 16.136 ( 5.202 16.687 -3.396) 17.806 16.407 ( 8.478 2.510 2.409) 9.163 16.567 ( 10.057 -2.118 -3.301) 10.794 18.327 ( -1.878 0.002 0.692) 2.001 18.657 ( -3.919 -2.819 7.022) 8.521 19.051 ( -7.503 4.182 -8.201) 11.876 20.459 ( 4.709 -10.680 3.071) 12.069 ======================= Grid point 97 (42/205) ======================= q-point: (-0.22 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( -22.737 15.661 10.543) 29.553 1.178 ( -22.431 15.051 -0.985) 27.031 2.296 ( -48.698 15.551 -5.562) 51.422 2.975 ( -1.077 -5.628 -7.199) 9.201 3.132 ( -3.709 -2.853 2.856) 5.482 3.310 ( -9.052 4.048 1.002) 9.967 3.637 ( -16.395 7.267 2.683) 18.133 3.734 ( 5.921 0.529 2.816) 6.578 4.231 ( 8.256 0.717 2.706) 8.717 4.728 ( -1.813 -4.786 -0.130) 5.120 4.976 ( -3.894 5.795 -3.092) 7.636 5.521 ( 3.138 -2.011 -7.690) 8.546 6.329 ( 3.818 -0.688 -4.431) 5.889 6.485 ( 5.522 0.755 2.123) 5.964 6.881 ( -3.258 -6.565 0.178) 7.331 7.257 ( -2.247 5.731 0.498) 6.176 7.598 ( -5.582 -0.363 -1.483) 5.787 7.764 ( 2.634 5.960 7.176) 9.693 8.005 ( 8.688 6.298 9.475) 14.315 8.313 ( -3.314 -5.527 -16.078) 17.321 8.693 ( 2.827 8.473 -13.902) 16.524 9.003 ( -2.188 -5.950 8.960) 10.976 9.114 ( 3.871 -2.334 6.233) 7.699 9.533 ( -4.456 -8.904 7.508) 12.470 9.869 ( 4.825 0.488 7.976) 9.334 10.156 ( -5.459 11.611 -13.866) 18.891 10.695 ( 2.682 0.402 0.081) 2.713 10.862 ( -2.171 -11.433 11.705) 16.505 11.108 ( 12.169 -6.131 -11.934) 18.114 11.479 ( 5.600 13.656 0.197) 14.761 11.881 ( 8.297 -5.759 15.650) 18.626 12.139 ( -0.399 1.389 2.069) 2.524 12.460 ( -7.204 -1.886 8.213) 11.086 12.503 ( 15.388 -13.041 1.590) 20.233 12.972 ( 2.143 -18.128 3.751) 18.636 13.509 ( -14.212 -19.435 -11.112) 26.517 13.682 ( -7.470 6.250 1.744) 9.894 14.114 ( -9.762 4.028 -5.663) 11.983 14.395 ( 2.127 -5.511 -2.935) 6.596 14.567 ( 0.879 -2.467 5.010) 5.654 14.910 ( -4.611 18.978 4.277) 19.993 16.261 ( 14.027 25.640 -2.817) 29.361 16.631 ( 13.763 0.901 4.129) 14.398 16.700 ( 9.443 -2.474 -3.582) 10.398 18.302 ( -1.727 -1.003 0.189) 2.006 18.577 ( -9.496 -5.398 -0.353) 10.929 18.862 ( -8.713 8.687 -0.086) 12.304 20.470 ( -2.305 -16.839 -10.530) 19.993 ======================= Grid point 98 (43/205) ======================= q-point: (-0.11 0.12 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -16.545 17.732 12.696) 27.374 0.823 ( -21.527 18.113 5.607) 28.687 1.540 ( -38.092 33.197 13.339) 52.259 2.928 ( 1.327 -5.016 -0.867) 5.260 3.089 ( -2.973 2.332 1.622) 4.112 3.190 ( -4.218 2.370 -2.032) 5.248 3.352 ( -15.059 9.021 0.480) 17.561 3.851 ( 3.026 -1.976 0.521) 3.652 4.330 ( 3.225 0.842 -1.992) 3.883 4.730 ( -0.612 -7.251 4.816) 8.726 4.919 ( 0.317 2.050 -4.291) 4.766 5.529 ( 4.552 -2.323 -3.822) 6.382 6.366 ( 4.174 -2.558 -2.060) 5.311 6.580 ( 5.021 1.868 -2.360) 5.854 6.847 ( -3.187 -7.465 4.466) 9.264 7.245 ( -1.066 6.017 3.399) 6.992 7.501 ( -4.478 -4.516 0.168) 6.362 7.889 ( 1.322 4.334 6.287) 7.749 8.044 ( -5.220 -4.890 -6.355) 9.568 8.275 ( 12.563 9.358 5.741) 16.684 8.509 ( -7.584 12.210 -9.392) 17.170 8.950 ( -2.161 6.055 -2.471) 6.888 9.310 ( 7.057 -13.925 -5.537) 16.564 9.577 ( -4.045 -10.227 15.919) 19.348 9.948 ( 1.448 2.110 -10.887) 11.184 10.107 ( 6.776 -0.744 14.878) 16.366 10.708 ( 3.225 4.099 -2.592) 5.824 10.898 ( -8.974 -10.304 10.072) 16.975 11.111 ( 5.624 4.978 -5.200) 9.135 11.574 ( 6.099 9.003 -5.455) 12.166 12.045 ( -1.953 -2.370 0.397) 3.097 12.230 ( -7.109 -19.838 14.517) 25.590 12.572 ( 9.885 -9.956 19.571) 24.080 12.786 ( 3.518 -7.172 -4.682) 9.259 13.031 ( -7.062 -20.843 4.458) 22.454 13.092 ( 0.452 -9.475 -7.763) 12.258 13.632 ( -3.614 1.099 6.553) 7.564 13.939 ( -6.785 11.808 1.225) 13.673 14.311 ( -7.666 -0.350 -4.139) 8.719 14.596 ( -2.517 -0.572 5.328) 5.920 14.932 ( 0.677 12.196 3.149) 12.614 16.579 ( 26.087 22.385 -5.593) 34.827 16.809 ( 6.486 -2.030 -1.596) 6.981 16.947 ( 18.217 6.626 4.170) 19.828 18.261 ( -2.461 -3.430 -1.007) 4.340 18.406 ( -5.250 -2.098 -2.777) 6.299 18.737 ( -8.385 9.290 2.730) 12.809 19.968 ( -26.845 -6.087 -47.974) 55.310 ======================= Grid point 99 (44/205) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -3.742 20.633 11.270) 23.806 1.282 ( 5.479 24.479 11.965) 27.792 2.155 ( -2.510 33.004 14.422) 36.104 2.813 ( 2.325 -12.207 2.779) 12.733 2.926 ( -2.076 -8.844 3.060) 9.586 3.381 ( 0.719 10.584 1.835) 10.766 3.492 ( -0.167 19.250 -5.565) 20.039 3.771 ( -1.233 -4.656 -1.627) 5.084 4.333 ( -0.871 0.287 -5.437) 5.514 4.606 ( -0.348 -9.540 8.639) 12.875 4.925 ( 2.531 3.434 -4.583) 6.261 5.480 ( 3.801 -6.488 -2.020) 7.786 6.351 ( 2.133 -1.621 -0.844) 2.808 6.650 ( 2.647 -0.203 -3.162) 4.129 6.709 ( -3.973 -2.584 4.929) 6.838 7.334 ( -0.944 -1.636 3.365) 3.859 7.412 ( 2.916 1.041 2.183) 3.788 7.928 ( -0.792 -0.647 2.662) 2.851 8.101 ( 2.393 3.278 5.652) 6.959 8.394 ( -2.572 6.007 -7.691) 10.092 8.733 ( -6.118 -2.852 -1.927) 7.020 8.966 ( 4.244 -6.164 12.282) 14.382 9.156 ( 2.848 4.762 4.198) 6.958 9.408 ( -8.342 -0.950 -10.615) 13.534 9.765 ( 2.480 -13.783 -0.779) 14.026 10.278 ( 6.969 0.773 -3.267) 7.735 10.838 ( 4.067 4.695 1.512) 6.393 10.889 ( -8.272 7.242 2.177) 11.207 11.442 ( 6.651 8.354 -1.288) 10.756 11.634 ( -2.967 -7.732 -0.256) 8.286 11.727 ( -4.255 4.274 -0.805) 6.084 12.022 ( -1.332 -1.482 -4.343) 4.779 12.306 ( -14.380 -0.473 -6.983) 15.993 12.599 ( -6.048 -20.594 5.204) 22.086 12.631 ( 3.945 -16.458 2.634) 17.128 13.017 ( 10.055 -12.959 7.668) 18.106 13.602 ( -0.938 4.261 0.535) 4.396 14.183 ( 0.548 7.442 -3.540) 8.260 14.376 ( 1.710 4.746 2.179) 5.495 14.580 ( -1.674 -3.097 3.969) 5.306 15.294 ( -0.600 20.336 5.740) 21.140 16.695 ( 2.459 -7.342 -7.455) 10.748 16.849 ( -2.506 1.098 1.190) 2.984 17.197 ( -4.406 -2.286 2.889) 5.743 18.207 ( 1.247 -0.737 0.060) 1.450 18.353 ( 2.792 -2.188 1.023) 3.692 18.882 ( -0.815 13.017 -3.113) 13.409 19.536 ( 6.686 5.053 -24.181) 25.592 ======================= Grid point 100 (45/205) ======================= q-point: ( 0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 3.187 17.550 14.195) 22.796 1.568 ( 9.585 20.061 13.745) 26.139 2.462 ( 16.438 15.621 12.082) 25.694 2.813 ( 2.188 -2.169 -0.115) 3.083 3.024 ( 2.159 -9.360 9.588) 13.572 3.350 ( -0.323 12.384 -3.484) 12.868 3.577 ( 12.159 15.220 -3.271) 19.753 3.771 ( 1.058 -3.719 3.446) 5.179 4.218 ( -4.743 0.059 -5.756) 7.459 4.687 ( 0.755 -7.092 6.194) 9.446 4.980 ( 7.583 4.996 -2.612) 9.449 5.535 ( 4.463 -5.896 -1.129) 7.480 6.358 ( 0.680 0.192 -3.425) 3.497 6.596 ( -1.711 4.776 -2.830) 5.809 6.762 ( 1.819 -7.329 5.448) 9.312 7.343 ( -1.270 -3.454 1.210) 3.874 7.555 ( 9.008 4.298 3.558) 10.596 7.900 ( -7.266 3.322 8.150) 11.413 8.093 ( -2.274 8.350 -9.453) 12.816 8.372 ( -1.278 -2.054 -4.147) 4.801 8.642 ( 1.628 -3.906 5.880) 7.244 9.049 ( -8.400 -16.223 9.530) 20.605 9.109 ( -8.880 2.014 -11.386) 14.579 9.350 ( 10.984 11.427 3.699) 16.276 9.798 ( 6.576 -18.467 -10.573) 22.273 10.384 ( 0.698 5.575 9.027) 10.633 10.621 ( -15.080 1.648 -7.113) 16.754 10.813 ( -6.504 7.276 5.326) 11.118 11.486 ( -2.766 1.270 -4.119) 5.121 11.564 ( -8.542 6.075 -5.991) 12.074 11.767 ( 5.789 -0.525 0.690) 5.854 11.900 ( -7.706 -11.427 0.912) 13.813 12.100 ( 0.707 3.835 -4.883) 6.249 12.493 ( -8.472 -11.817 5.094) 15.407 12.692 ( 1.249 -16.822 1.687) 16.952 13.231 ( 7.063 -13.380 3.036) 15.431 13.633 ( 3.394 2.592 -0.131) 4.273 14.149 ( -0.103 -1.065 -3.240) 3.412 14.432 ( 1.215 1.197 2.264) 2.835 14.577 ( -2.962 -1.385 3.446) 4.751 15.372 ( 1.186 21.483 8.228) 23.035 16.573 ( -5.902 -4.403 -9.682) 12.164 16.746 ( -9.225 4.633 0.428) 10.332 17.070 ( -11.427 2.625 4.699) 12.631 18.250 ( 2.508 -0.884 1.072) 2.867 18.403 ( 1.942 -0.896 -0.638) 2.232 18.916 ( 8.513 10.565 -2.430) 13.784 19.580 ( 21.654 -0.604 -21.350) 30.415 ======================= Grid point 101 (46/205) ======================= q-point: ( 0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 9.054 11.989 18.933) 24.170 1.889 ( 13.055 14.989 12.551) 23.508 2.536 ( -3.394 -8.386 -7.405) 11.690 3.061 ( -1.825 0.453 1.612) 2.477 3.187 ( 17.849 9.741 9.302) 22.361 3.373 ( 8.474 5.543 -2.377) 10.401 3.763 ( 9.159 6.133 -0.102) 11.023 3.860 ( 3.389 0.242 5.877) 6.788 4.146 ( 1.995 4.800 3.019) 6.011 4.753 ( 1.887 -3.139 1.820) 4.090 5.105 ( 10.070 5.806 -3.046) 12.016 5.603 ( 5.158 -4.074 -1.940) 6.853 6.313 ( -0.352 3.091 -4.537) 5.501 6.563 ( -0.295 4.570 -1.578) 4.844 6.864 ( 4.215 -6.701 4.253) 8.986 7.317 ( 0.312 -4.974 -3.486) 6.082 7.730 ( 4.701 10.887 3.655) 12.410 7.871 ( -5.733 0.867 3.215) 6.630 7.941 ( -3.845 9.061 -1.017) 9.896 8.256 ( -0.981 -0.805 -7.162) 7.274 8.668 ( -7.959 0.365 -3.063) 8.536 8.949 ( -13.888 -12.863 10.259) 21.531 9.005 ( 2.180 -0.067 4.075) 4.622 9.510 ( 7.549 8.246 -5.002) 12.247 9.790 ( 5.786 -10.324 -9.898) 15.428 10.332 ( -8.217 0.361 2.339) 8.551 10.531 ( -0.287 2.741 10.702) 11.051 10.770 ( -3.821 4.340 2.203) 6.188 11.182 ( -15.101 3.239 -12.449) 19.837 11.379 ( -16.158 1.019 -3.546) 16.574 11.606 ( -2.128 -5.973 -5.347) 8.294 12.010 ( 0.183 -25.348 7.481) 26.430 12.145 ( 7.784 6.490 -2.298) 10.392 12.454 ( -2.909 0.647 3.740) 4.782 12.727 ( 0.707 -11.396 2.538) 11.697 13.322 ( 3.420 -13.671 -1.053) 14.132 13.689 ( 3.297 -0.307 -1.402) 3.596 14.096 ( -1.546 -7.235 -4.175) 8.495 14.449 ( -2.653 -1.370 2.633) 3.981 14.578 ( 0.221 0.381 3.060) 3.091 15.480 ( 1.300 19.697 7.685) 21.184 16.366 ( -6.035 -0.280 -7.772) 9.844 16.589 ( -9.143 7.231 0.928) 11.694 16.925 ( -12.244 2.879 5.237) 13.624 18.294 ( 1.898 0.050 0.578) 1.985 18.425 ( 3.293 0.438 -3.114) 4.554 19.090 ( 12.407 5.741 -1.020) 13.709 19.740 ( 18.238 -5.271 -16.079) 24.878 ======================= Grid point 102 (47/205) ======================= q-point: ( 0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( 9.346 6.500 21.371) 24.214 2.254 ( 14.934 7.990 10.050) 19.694 2.394 ( -5.127 -3.178 -2.720) 6.617 2.932 ( -8.576 -1.788 -7.613) 11.606 3.310 ( 4.491 9.014 -5.070) 11.276 3.627 ( 13.640 3.610 -4.328) 14.759 3.800 ( -5.610 -4.184 7.070) 9.948 4.021 ( 3.501 -0.557 7.141) 7.972 4.394 ( 16.722 11.394 8.450) 21.928 4.774 ( 1.142 2.058 -3.523) 4.237 5.255 ( 10.762 4.659 -2.942) 12.090 5.666 ( 4.767 -1.053 -2.631) 5.545 6.277 ( 0.698 4.533 -2.493) 5.220 6.531 ( 0.143 5.386 -4.954) 7.319 6.963 ( 1.782 -6.033 3.011) 6.975 7.312 ( 4.436 -6.231 -5.000) 9.138 7.717 ( -6.781 3.226 -0.210) 7.512 7.782 ( -0.593 14.485 0.856) 14.523 8.026 ( 5.154 1.174 3.899) 6.568 8.231 ( 2.752 5.015 -0.192) 5.723 8.452 ( -12.132 4.718 -2.137) 13.191 8.793 ( -14.076 -10.082 8.587) 19.327 9.071 ( -3.173 3.690 6.705) 8.285 9.550 ( 4.744 4.152 -2.790) 6.894 9.797 ( 1.359 -0.932 -3.625) 3.982 10.330 ( 3.660 -2.239 2.686) 5.062 10.587 ( -11.224 -2.991 6.599) 13.360 10.747 ( 3.513 -2.580 3.656) 5.688 10.845 ( -8.473 6.439 -10.222) 14.756 11.052 ( -11.132 0.018 -8.333) 13.905 11.590 ( 3.150 -15.951 -4.035) 16.753 12.046 ( -2.628 -27.292 7.186) 28.344 12.214 ( -1.049 0.564 -0.581) 1.325 12.445 ( 0.166 7.643 0.576) 7.666 12.760 ( 0.109 -5.159 1.634) 5.413 13.353 ( 1.471 -15.100 -0.492) 15.180 13.701 ( 1.185 -2.666 -2.819) 4.057 14.049 ( 0.231 -5.977 -1.626) 6.198 14.406 ( -4.065 0.195 1.447) 4.319 14.632 ( 1.767 0.288 2.303) 2.917 15.551 ( -0.142 14.209 3.936) 14.744 16.248 ( -0.688 -0.175 -3.851) 3.916 16.469 ( -5.796 8.212 0.814) 10.084 16.747 ( -13.485 3.623 3.148) 14.314 18.337 ( 2.259 0.852 0.690) 2.511 18.456 ( 3.539 0.778 -2.140) 4.208 19.269 ( 9.921 2.656 -3.121) 10.734 19.872 ( 12.453 -6.278 -8.735) 16.456 ======================= Grid point 103 (48/205) ======================= q-point: ( 0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( -8.873 5.909 5.900) 12.184 2.420 ( 4.729 -0.771 18.224) 18.844 2.528 ( -1.925 2.047 -3.034) 4.135 2.710 ( 2.405 -0.021 -3.724) 4.433 3.384 ( 8.582 5.845 -1.009) 10.432 3.682 ( -0.913 -1.662 -2.740) 3.332 3.765 ( -2.353 1.716 -1.195) 3.148 4.054 ( -5.087 -2.996 0.763) 5.953 4.704 ( -3.321 8.861 -4.241) 10.370 4.716 ( 9.858 5.412 2.381) 11.496 5.390 ( 6.600 3.896 -1.273) 7.769 5.701 ( 2.405 2.611 -3.305) 4.850 6.289 ( 1.768 5.017 0.415) 5.335 6.473 ( 1.056 5.866 -7.774) 9.796 6.970 ( -1.446 -4.986 -1.428) 5.384 7.341 ( 3.095 -5.957 -3.083) 7.387 7.660 ( -1.183 4.979 3.617) 6.266 7.801 ( 0.848 10.244 1.594) 10.402 8.122 ( 1.166 11.179 0.491) 11.251 8.240 ( -6.144 -0.735 -1.478) 6.362 8.355 ( 5.896 4.697 6.598) 10.018 8.667 ( -11.994 -6.990 11.003) 17.714 9.073 ( -3.430 6.756 7.231) 10.473 9.642 ( 0.903 -1.542 2.869) 3.380 9.772 ( 4.016 6.477 1.682) 7.805 10.351 ( -10.518 -3.759 -9.377) 14.584 10.444 ( 3.743 -1.732 4.666) 6.227 10.675 ( -2.661 3.322 -6.302) 7.605 10.865 ( -0.573 0.011 -8.391) 8.411 10.939 ( 6.120 -5.803 11.357) 14.146 11.594 ( 2.621 -20.600 -5.690) 21.532 12.030 ( -7.798 -35.125 0.985) 35.993 12.177 ( 1.452 1.574 3.409) 4.025 12.456 ( 0.079 10.799 -1.011) 10.847 12.752 ( -1.661 -2.548 -0.880) 3.166 13.371 ( 0.624 -15.961 0.965) 16.002 13.714 ( 2.819 -3.406 0.271) 4.430 14.062 ( 1.239 -3.849 0.493) 4.073 14.353 ( -2.936 1.177 -0.021) 3.163 14.659 ( -0.453 1.076 0.301) 1.206 15.563 ( -1.188 10.598 1.141) 10.725 16.247 ( 2.485 -2.303 -0.908) 3.508 16.413 ( -0.325 8.796 -1.108) 8.871 16.552 ( -10.683 5.263 0.723) 11.931 18.369 ( 0.601 1.024 0.257) 1.215 18.511 ( 3.031 0.217 1.977) 3.625 19.341 ( 4.177 2.433 -6.432) 8.046 19.999 ( 8.620 -7.632 -1.429) 11.601 ======================= Grid point 104 (49/205) ======================= q-point: (-0.44 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.932 ( -16.970 12.239 5.045) 21.523 2.208 ( -16.341 6.783 -10.873) 20.767 2.697 ( 2.890 -5.853 18.704) 19.810 2.870 ( 8.879 -6.697 -1.383) 11.207 3.566 ( 6.856 3.020 0.584) 7.515 3.624 ( -3.665 0.587 7.737) 8.582 3.681 ( 0.045 2.823 -10.120) 10.506 3.846 ( -13.726 -1.936 -8.779) 16.407 4.523 ( -12.066 11.020 -1.854) 16.446 4.814 ( 0.582 2.583 -1.703) 3.148 5.421 ( -2.266 6.069 -0.570) 6.503 5.668 ( -0.666 3.861 -6.316) 7.433 6.336 ( 1.843 4.113 1.749) 4.835 6.419 ( 2.094 5.525 -7.425) 9.489 6.905 ( -2.713 -4.701 -3.543) 6.482 7.354 ( 0.729 -5.181 -0.972) 5.321 7.752 ( 5.627 9.021 6.641) 12.536 7.825 ( -1.422 8.618 3.873) 9.554 7.998 ( -8.048 12.780 -3.106) 15.419 8.287 ( 5.727 -0.336 0.544) 5.763 8.528 ( 4.668 -1.833 6.291) 8.045 8.627 ( -5.454 -3.970 11.783) 13.577 9.111 ( -1.830 5.744 8.122) 10.115 9.619 ( 0.463 3.120 1.023) 3.316 10.041 ( 0.287 5.638 -8.382) 10.105 10.066 ( 3.687 -5.555 6.950) 9.631 10.556 ( 5.590 -3.391 2.171) 6.889 10.605 ( -2.464 -3.762 -0.393) 4.514 10.786 ( 1.830 6.662 -8.013) 10.580 11.196 ( 9.706 -4.738 11.174) 15.541 11.566 ( 1.651 -20.287 -5.561) 21.100 11.883 ( -5.139 -27.049 -3.876) 27.804 12.303 ( 4.564 -9.596 7.223) 12.849 12.414 ( -2.764 10.521 -2.381) 11.135 12.693 ( -1.799 -1.535 -3.993) 4.641 13.388 ( -0.202 -16.863 0.350) 16.868 13.801 ( 3.474 -3.476 4.272) 6.512 14.080 ( -0.312 -3.280 1.349) 3.560 14.316 ( 0.220 0.615 -1.885) 1.995 14.619 ( -3.236 0.823 -1.741) 3.766 15.534 ( -3.564 13.563 0.704) 14.041 16.289 ( 2.276 -0.305 1.421) 2.700 16.435 ( -1.085 6.829 -0.831) 6.964 16.446 ( 6.003 4.599 -3.962) 8.537 18.363 ( -1.491 1.083 0.414) 1.888 18.578 ( 0.232 -1.910 4.330) 4.738 19.293 ( -1.441 4.735 -6.688) 8.320 20.125 ( 5.111 -10.481 2.128) 11.853 ======================= Grid point 105 (50/205) ======================= q-point: (-0.33 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -19.269 18.027 5.485) 26.951 1.831 ( -16.383 11.842 -7.128) 21.435 2.845 ( -0.131 -10.366 3.791) 11.038 2.943 ( 0.108 -9.040 0.665) 9.065 3.327 ( -26.788 7.801 -6.822) 28.723 3.520 ( -4.535 0.705 -2.339) 5.151 3.642 ( 0.958 3.986 -1.620) 4.408 3.863 ( 8.997 1.001 5.288) 10.484 4.290 ( -13.076 10.701 1.139) 16.935 4.743 ( -4.748 -1.224 -3.281) 5.900 5.309 ( -9.067 9.570 -1.131) 13.231 5.567 ( -1.023 1.052 -9.295) 9.411 6.343 ( 1.204 1.350 -4.988) 5.306 6.437 ( 3.472 5.059 1.092) 6.232 6.823 ( -3.041 -4.834 -2.372) 6.184 7.343 ( -1.265 -3.274 -0.088) 3.511 7.801 ( -7.721 4.825 -1.482) 9.224 7.870 ( -3.408 12.903 6.690) 14.929 7.965 ( 10.207 11.694 6.244) 16.731 8.357 ( 2.422 0.339 -4.054) 4.735 8.608 ( -0.251 -7.215 5.219) 8.908 8.726 ( 4.469 -3.012 6.143) 8.172 9.157 ( -1.535 2.360 7.106) 7.644 9.698 ( -9.614 7.998 -1.252) 12.569 9.742 ( 6.053 0.124 -8.424) 10.374 10.326 ( -2.783 -11.256 8.239) 14.224 10.586 ( 0.341 -2.340 4.644) 5.211 10.670 ( 4.358 -1.154 1.282) 4.687 10.857 ( 18.689 8.404 -7.802) 21.927 11.456 ( 8.572 0.037 7.298) 11.258 11.621 ( 8.092 -10.242 4.377) 13.768 11.806 ( 1.367 -28.144 -4.256) 28.497 12.333 ( -3.625 7.289 -0.937) 8.194 12.416 ( -2.023 -9.130 6.928) 11.638 12.639 ( 2.014 -3.982 -4.509) 6.344 13.336 ( -4.042 -18.488 -5.172) 19.619 13.844 ( -4.664 0.135 3.928) 6.100 14.113 ( 2.662 -3.858 1.597) 4.952 14.329 ( 3.652 -0.725 -2.374) 4.416 14.539 ( -2.918 0.225 -1.307) 3.205 15.450 ( -6.911 19.330 0.913) 20.549 16.396 ( 8.476 3.304 3.427) 9.721 16.455 ( 4.364 3.146 -0.466) 5.400 16.557 ( 11.344 3.629 -5.498) 13.118 18.333 ( -2.648 0.689 0.710) 2.826 18.580 ( -4.559 -4.358 2.502) 6.785 19.180 ( -5.087 8.303 -3.532) 10.358 20.194 ( 0.384 -14.050 1.046) 14.094 ======================= Grid point 106 (51/205) ======================= q-point: (-0.22 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -16.793 21.151 3.805) 27.273 1.512 ( -15.849 16.713 -2.686) 23.189 2.673 ( -29.739 16.835 -0.469) 34.176 2.806 ( -1.445 -10.667 -6.000) 12.324 3.012 ( -5.421 -6.180 2.875) 8.708 3.426 ( -3.792 6.105 -1.762) 7.400 3.713 ( 3.439 -0.769 4.745) 5.910 3.866 ( -12.380 11.126 0.743) 16.661 4.241 ( 4.814 0.465 2.785) 5.581 4.623 ( -5.363 -4.659 -1.797) 7.328 5.129 ( -8.561 8.453 -2.873) 12.369 5.474 ( 0.920 -2.321 -7.843) 8.231 6.317 ( 1.584 -0.038 -3.971) 4.275 6.517 ( 4.152 1.880 1.059) 4.679 6.763 ( -2.733 -3.657 0.765) 4.629 7.320 ( -1.586 -1.161 0.939) 2.179 7.612 ( -9.712 2.140 -3.205) 10.449 7.940 ( -0.846 11.556 11.303) 16.187 8.174 ( -0.193 3.840 -3.535) 5.222 8.258 ( 5.111 5.176 -4.314) 8.458 8.691 ( 2.095 -9.543 5.340) 11.134 8.822 ( 2.053 -3.542 0.526) 4.127 9.239 ( 3.034 4.622 5.744) 7.973 9.406 ( -11.057 0.054 -4.230) 11.839 9.940 ( 10.845 6.514 4.357) 13.380 10.176 ( -11.390 -8.034 -5.542) 15.000 10.646 ( -0.522 -6.530 2.400) 6.977 10.777 ( 7.188 2.104 1.823) 7.708 11.118 ( 17.276 8.806 -7.108) 20.653 11.715 ( 9.549 4.179 -0.717) 10.448 11.782 ( 8.232 -5.965 11.287) 15.190 11.905 ( 5.710 -18.301 4.992) 19.810 12.296 ( -3.010 -0.612 3.349) 4.544 12.388 ( -2.634 -9.937 5.321) 11.576 12.678 ( 2.966 -10.146 0.630) 10.589 13.126 ( -9.105 -16.609 -13.240) 23.110 13.764 ( -6.924 3.701 2.045) 8.113 14.147 ( 0.101 2.001 0.241) 2.018 14.368 ( 3.207 -0.395 -2.896) 4.339 14.530 ( 0.446 -2.421 2.664) 3.627 15.342 ( -6.590 21.660 1.722) 22.706 16.554 ( 8.352 -1.864 -2.321) 8.867 16.627 ( 11.395 1.826 3.274) 11.995 16.733 ( 15.225 6.822 -0.511) 16.691 18.286 ( -3.627 -0.261 0.308) 3.649 18.478 ( -7.249 -4.312 -1.207) 8.520 19.063 ( -6.453 10.857 0.035) 12.630 20.125 ( -6.509 -15.644 -6.212) 18.047 ======================= Grid point 107 (52/205) ======================= q-point: (-0.11 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -13.370 21.525 6.798) 26.235 1.260 ( -9.507 22.720 1.120) 24.654 2.252 ( -21.793 32.039 9.155) 39.815 2.758 ( 0.092 -11.280 0.290) 11.284 2.965 ( -3.377 -9.556 1.205) 10.207 3.368 ( -0.837 9.467 -1.244) 9.585 3.636 ( -11.410 16.721 -1.086) 20.272 3.791 ( 0.887 -3.811 0.680) 3.971 4.342 ( 4.019 -0.290 -1.218) 4.210 4.557 ( -2.827 -8.331 4.126) 9.717 4.985 ( -3.607 4.361 -4.592) 7.289 5.450 ( 3.295 -5.095 -4.383) 7.485 6.322 ( 2.215 -1.245 -1.532) 2.967 6.592 ( 3.510 -2.469 0.968) 4.400 6.741 ( -2.069 -0.257 1.747) 2.720 7.317 ( -0.843 -0.306 2.590) 2.741 7.442 ( -6.402 -0.059 -1.261) 6.525 7.959 ( -5.395 -2.275 -6.195) 8.524 8.033 ( -1.863 8.265 10.012) 13.116 8.469 ( 9.019 6.929 -2.135) 11.572 8.686 ( 1.018 3.985 -2.100) 4.618 8.885 ( -1.724 -12.693 8.990) 15.649 9.167 ( -5.009 6.579 -3.607) 9.021 9.443 ( 3.798 -4.008 7.769) 9.531 9.893 ( -12.066 -7.615 -6.285) 15.590 10.168 ( 12.345 5.108 -3.357) 13.776 10.678 ( 5.434 -3.089 1.577) 6.446 10.899 ( 3.955 6.303 0.760) 7.479 11.306 ( 12.024 12.547 -4.010) 17.835 11.754 ( 1.243 3.545 -2.069) 4.289 11.842 ( -14.651 -12.859 4.559) 20.020 12.052 ( 2.682 0.182 -0.155) 2.693 12.378 ( 9.518 -8.265 9.023) 15.503 12.528 ( 5.495 -23.080 7.255) 24.810 12.659 ( -9.654 -8.579 -1.876) 13.050 12.877 ( 0.012 -11.040 -6.069) 12.598 13.664 ( -6.269 3.900 0.931) 7.442 14.165 ( 2.902 9.751 -0.747) 10.201 14.370 ( -0.140 1.839 -1.635) 2.464 14.562 ( -0.863 -3.250 3.685) 4.989 15.281 ( -3.355 20.612 3.327) 21.146 16.662 ( 8.109 -5.781 -5.391) 11.325 16.795 ( 6.112 1.010 1.875) 6.472 17.055 ( 15.084 1.337 4.996) 15.946 18.219 ( -3.068 -0.626 -0.478) 3.168 18.361 ( -3.368 -2.337 -1.834) 4.491 18.960 ( -5.550 11.957 -0.091) 13.182 19.835 ( -10.890 -7.138 -18.864) 22.921 ======================= Grid point 108 (53/205) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -2.024 21.901 4.091) 22.371 1.768 ( 3.617 22.557 9.724) 24.828 2.419 ( -3.160 -12.626 -2.268) 13.211 2.555 ( 2.682 -13.549 8.838) 16.397 2.951 ( -1.588 17.444 7.681) 19.126 3.528 ( 1.338 -2.882 4.657) 5.638 3.709 ( -2.695 5.662 -1.899) 6.552 3.824 ( 1.187 9.990 -5.881) 11.653 4.333 ( -1.553 -0.304 -4.790) 5.044 4.420 ( -0.017 -7.724 8.274) 11.319 5.025 ( 3.109 6.145 -3.577) 7.761 5.328 ( 3.634 -7.899 -2.384) 9.015 6.353 ( 1.990 1.893 0.614) 2.814 6.538 ( 1.764 -6.060 3.469) 7.202 6.809 ( -2.339 7.650 -1.612) 8.160 7.205 ( -0.766 -9.379 0.795) 9.443 7.528 ( 2.768 9.283 4.644) 10.743 7.886 ( 5.000 -3.620 0.642) 6.206 8.238 ( -3.904 8.076 6.256) 10.936 8.496 ( 0.483 3.869 -3.995) 5.582 8.608 ( -6.134 -10.570 1.644) 12.332 8.709 ( -2.426 -7.536 3.761) 8.765 9.325 ( -9.538 -0.177 -6.753) 11.688 9.402 ( 3.246 -3.835 -7.224) 8.799 9.659 ( 0.664 11.706 6.232) 13.278 10.228 ( 6.610 -6.761 2.674) 9.826 10.938 ( 4.352 5.605 -6.443) 9.585 11.069 ( -9.026 7.793 4.216) 12.648 11.350 ( 2.844 -6.371 -6.544) 9.566 11.661 ( 3.057 -4.991 -9.383) 11.059 11.818 ( 2.130 6.233 -0.193) 6.590 12.010 ( -4.333 -0.669 -3.135) 5.390 12.262 ( -3.717 -5.794 12.674) 14.423 12.300 ( -4.920 0.182 -3.241) 5.895 12.400 ( -3.584 -7.041 -0.841) 7.945 12.732 ( 9.346 -14.573 7.924) 19.040 13.762 ( -0.639 11.037 -1.858) 11.211 14.224 ( -1.465 -4.553 -7.731) 9.091 14.446 ( 1.885 2.146 2.096) 3.543 14.506 ( -1.575 -2.492 4.060) 5.018 15.740 ( 0.254 21.928 3.804) 22.257 16.484 ( 1.106 -13.109 -3.929) 13.730 16.898 ( -1.728 3.685 2.847) 4.967 17.110 ( -2.511 -5.453 4.801) 7.687 18.217 ( 1.112 1.451 0.430) 1.878 18.305 ( 2.054 -2.431 0.807) 3.284 19.143 ( 0.108 12.165 -4.605) 13.007 19.522 ( 2.653 -4.882 -13.046) 14.180 ======================= Grid point 109 (54/205) ======================= q-point: ( 0.11 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 2.910 18.521 5.530) 19.547 1.981 ( 6.207 20.005 12.197) 24.238 2.369 ( 0.511 -14.562 -4.426) 15.228 2.737 ( 4.857 -14.980 11.311) 19.389 3.113 ( 10.524 17.830 10.666) 23.290 3.611 ( -3.303 12.152 -1.426) 12.673 3.642 ( 4.022 -7.463 4.348) 9.528 3.836 ( 5.427 6.315 -6.246) 10.409 4.248 ( -1.089 3.700 -2.762) 4.744 4.533 ( 4.037 -7.791 6.045) 10.655 5.103 ( 8.793 6.730 -2.859) 11.436 5.397 ( 6.489 -7.236 -1.806) 9.886 6.393 ( 2.432 3.358 -1.068) 4.281 6.615 ( 4.247 -5.885 0.755) 7.297 6.748 ( -3.182 8.465 1.156) 9.117 7.191 ( -1.767 -10.339 0.420) 10.497 7.695 ( 9.147 9.578 5.725) 14.429 7.995 ( 4.681 3.196 -0.072) 5.668 8.224 ( -1.181 5.559 -0.200) 5.687 8.411 ( -6.335 2.466 -8.664) 11.012 8.561 ( 1.111 -3.447 7.489) 8.319 8.705 ( -6.703 -13.589 8.104) 17.183 9.088 ( -6.514 -0.997 -8.005) 10.369 9.372 ( 6.991 -12.900 -15.293) 21.193 9.792 ( 4.745 17.787 8.713) 20.367 10.395 ( 3.499 -5.586 8.501) 10.757 10.697 ( -13.668 6.269 -6.856) 16.526 10.959 ( -9.681 5.429 3.550) 11.653 11.380 ( -1.269 -11.199 -3.500) 11.801 11.573 ( -5.128 -7.001 -2.513) 9.034 11.682 ( -13.510 4.592 -3.798) 14.766 11.858 ( -16.048 -3.033 -3.277) 16.658 12.159 ( 4.662 2.772 -2.317) 5.898 12.396 ( 6.075 -7.194 2.238) 9.678 12.434 ( 3.253 2.543 5.206) 6.645 12.942 ( 6.618 -14.459 4.040) 16.407 13.744 ( 1.052 8.318 -3.413) 9.052 14.099 ( -3.538 -4.684 -7.783) 9.749 14.460 ( -1.445 1.161 1.800) 2.584 14.525 ( -1.326 -2.949 4.094) 5.217 15.798 ( 0.852 19.438 4.838) 20.049 16.417 ( -3.480 -10.327 -4.964) 11.975 16.847 ( -7.121 5.308 2.785) 9.308 17.057 ( -8.626 -3.282 5.241) 10.613 18.261 ( 2.501 1.665 1.245) 3.252 18.364 ( 2.701 -2.607 1.044) 3.896 19.145 ( 6.394 11.201 -5.314) 13.950 19.513 ( 11.570 -5.642 -13.583) 18.714 ======================= Grid point 110 (55/205) ======================= q-point: ( 0.22 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 6.876 12.965 10.193) 17.868 2.210 ( 7.795 15.003 9.636) 19.460 2.331 ( -0.378 -9.751 -2.534) 10.082 2.878 ( -0.069 -13.281 6.250) 14.678 3.469 ( 15.290 12.004 8.379) 21.168 3.521 ( -1.439 8.560 -4.308) 9.690 3.789 ( 0.665 -1.614 -1.949) 2.617 3.827 ( 3.845 -4.610 4.410) 7.448 4.332 ( 11.248 11.216 2.618) 16.099 4.674 ( 6.884 -4.869 2.892) 8.914 5.234 ( 10.011 6.514 -3.843) 12.547 5.499 ( 7.699 -5.935 -2.304) 9.990 6.405 ( 1.926 5.892 -3.572) 7.154 6.666 ( 3.916 0.472 -5.264) 6.577 6.765 ( 0.526 1.484 6.656) 6.839 7.160 ( -0.866 -9.737 -1.441) 9.881 7.898 ( 6.073 5.654 2.946) 8.805 7.975 ( -2.413 8.635 -4.352) 9.966 8.180 ( -2.482 10.928 -4.774) 12.181 8.298 ( 3.122 5.019 -2.271) 6.332 8.577 ( -4.868 -7.971 -0.579) 9.358 8.713 ( -6.140 -9.053 13.462) 17.345 9.001 ( 1.658 0.489 -0.005) 1.728 9.361 ( 8.226 -14.424 -11.209) 20.034 9.949 ( 4.383 16.545 4.507) 17.699 10.346 ( -8.936 1.010 -0.529) 9.008 10.618 ( 0.279 2.704 6.701) 7.231 10.804 ( -14.030 1.239 6.038) 15.324 11.199 ( -10.632 -8.279 -8.940) 16.171 11.344 ( -17.594 -6.978 -3.615) 19.269 11.420 ( -9.628 -0.376 -4.745) 10.740 11.593 ( -12.572 -14.219 3.878) 19.372 12.267 ( 6.333 5.292 -0.418) 8.263 12.508 ( 5.631 -3.445 0.587) 6.627 12.566 ( 4.700 3.144 3.868) 6.851 13.031 ( 2.400 -14.202 -0.697) 14.420 13.724 ( 1.035 4.219 -3.994) 5.901 13.970 ( -2.331 -5.698 -6.095) 8.663 14.451 ( -2.213 1.196 2.764) 3.737 14.551 ( 0.370 -2.585 3.245) 4.165 15.844 ( -0.989 15.452 3.574) 15.891 16.290 ( -4.625 -6.435 -4.870) 9.302 16.734 ( -8.856 6.865 3.048) 11.612 16.941 ( -11.157 -1.690 5.214) 12.431 18.315 ( 2.558 1.867 0.855) 3.280 18.411 ( 2.829 -1.754 -0.667) 3.395 19.244 ( 9.921 8.884 -3.961) 13.894 19.607 ( 13.130 -7.569 -10.914) 18.677 ======================= Grid point 111 (56/205) ======================= q-point: ( 0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.070 ( 6.981 6.724 14.783) 17.677 2.307 ( -1.045 -4.779 2.263) 5.390 2.445 ( 8.438 10.235 6.542) 14.791 2.847 ( -5.573 -6.785 -2.392) 9.100 3.455 ( -0.605 5.728 -2.930) 6.462 3.647 ( -2.534 -2.859 1.388) 4.065 3.803 ( 7.875 4.570 -1.355) 9.205 3.979 ( 3.904 -3.130 4.094) 6.465 4.610 ( 14.771 9.000 3.591) 17.665 4.802 ( 6.623 -0.012 -1.656) 6.827 5.364 ( 9.048 5.962 -2.066) 11.031 5.611 ( 7.153 -4.485 -0.830) 8.484 6.403 ( 2.363 7.690 -3.315) 8.701 6.657 ( 2.495 4.587 -7.039) 8.764 6.848 ( 1.477 -3.451 4.261) 5.678 7.145 ( 1.743 -9.309 -2.926) 9.912 7.812 ( -4.363 5.392 -4.232) 8.125 8.004 ( 2.243 -1.806 -4.345) 5.213 8.130 ( 0.657 16.705 -0.080) 16.718 8.383 ( 4.642 8.875 2.796) 10.399 8.511 ( -4.062 -1.354 3.900) 5.791 8.658 ( -10.215 -1.278 5.961) 11.896 9.089 ( 3.029 -0.297 4.949) 5.810 9.427 ( 6.136 -12.154 -0.924) 13.647 10.007 ( -0.132 15.421 0.485) 15.429 10.291 ( 2.931 -1.208 0.312) 3.185 10.585 ( -17.413 2.172 5.860) 18.501 10.666 ( -2.186 -2.691 4.663) 5.810 10.910 ( -11.452 -5.486 -8.315) 15.178 11.065 ( -7.158 2.872 -5.316) 9.367 11.289 ( -1.638 -9.390 -3.764) 10.248 11.435 ( -12.695 -26.568 6.120) 30.075 12.304 ( -1.350 5.457 -0.186) 5.624 12.619 ( 0.653 -0.534 -1.959) 2.133 12.625 ( 5.375 0.923 2.733) 6.100 13.045 ( 1.157 -14.039 -1.192) 14.137 13.699 ( 0.767 2.826 -3.133) 4.288 13.924 ( 1.777 -6.096 -2.397) 6.787 14.439 ( -2.232 2.957 2.123) 4.270 14.599 ( 1.554 -3.105 2.078) 4.047 15.832 ( -2.926 12.289 1.347) 12.705 16.187 ( -2.353 -5.196 -2.924) 6.410 16.626 ( -6.819 6.808 2.417) 9.934 16.788 ( -11.561 -0.153 3.357) 12.040 18.367 ( 2.457 2.032 0.722) 3.270 18.452 ( 2.990 -1.170 -0.850) 3.322 19.369 ( 8.468 7.016 -3.611) 11.575 19.720 ( 10.269 -8.341 -6.577) 14.774 ======================= Grid point 112 (57/205) ======================= q-point: ( 0.44 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.238 ( -4.642 5.406 8.944) 11.436 2.391 ( 2.072 -2.090 15.283) 15.564 2.579 ( -0.317 2.972 -3.461) 4.573 2.695 ( -1.875 -1.608 -4.983) 5.562 3.468 ( 3.696 3.068 1.771) 5.119 3.608 ( -4.772 -4.063 5.006) 8.021 3.851 ( 3.519 4.710 -9.185) 10.905 3.996 ( -2.451 -2.801 -4.055) 5.504 4.805 ( 3.942 4.424 -2.527) 6.441 4.856 ( 3.948 3.943 -2.628) 6.168 5.494 ( 5.448 5.988 1.872) 8.309 5.708 ( 3.366 -2.256 0.955) 4.163 6.421 ( 2.559 7.868 -1.777) 8.462 6.612 ( 2.002 5.989 -9.137) 11.107 6.878 ( -1.001 -3.305 0.510) 3.491 7.154 ( 1.865 -10.907 -1.900) 11.227 7.770 ( 1.952 5.738 1.408) 6.222 7.990 ( 1.525 -0.752 -2.014) 2.636 8.175 ( 2.945 9.947 2.347) 10.636 8.430 ( -2.927 6.333 0.490) 6.994 8.502 ( -3.588 8.819 3.886) 10.283 8.577 ( -4.113 0.877 7.454) 8.558 9.172 ( -0.030 3.706 6.411) 7.405 9.528 ( 3.144 -9.690 4.795) 11.259 10.007 ( -0.036 14.386 2.887) 14.673 10.307 ( -4.072 -0.273 -7.496) 8.535 10.445 ( -2.019 3.571 6.566) 7.742 10.644 ( -5.489 -4.126 -4.133) 8.015 10.740 ( 1.577 -12.544 4.972) 13.585 10.972 ( 0.978 6.202 -4.930) 7.983 11.250 ( -0.431 -12.971 -2.842) 13.285 11.290 ( -8.461 -30.861 3.128) 32.152 12.269 ( -0.602 5.544 -0.845) 5.641 12.587 ( 0.349 -3.246 -4.374) 5.458 12.703 ( 0.072 2.955 1.904) 3.516 13.051 ( 0.480 -14.023 -0.479) 14.039 13.710 ( 2.489 3.088 0.352) 3.981 13.952 ( 2.241 -6.357 -0.288) 6.746 14.414 ( -2.306 4.636 0.365) 5.190 14.626 ( -0.273 -3.611 0.204) 3.627 15.802 ( -1.322 11.331 1.207) 11.471 16.156 ( 0.791 -6.008 -0.413) 6.073 16.558 ( -2.474 5.280 0.007) 5.831 16.633 ( -8.260 1.993 0.531) 8.514 18.402 ( 0.685 2.112 0.447) 2.265 18.496 ( 1.940 -1.637 0.940) 2.707 19.441 ( 4.300 7.181 -4.046) 9.297 19.821 ( 6.676 -9.545 -2.249) 11.863 ======================= Grid point 113 (58/205) ======================= q-point: (-0.44 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -11.678 11.414 9.171) 18.728 2.360 ( -10.197 8.059 -10.164) 16.499 2.559 ( -1.525 -7.518 14.118) 16.067 2.716 ( 3.531 -8.190 -3.475) 9.571 3.584 ( -1.723 0.356 3.203) 3.654 3.617 ( 7.316 -0.761 4.452) 8.597 3.764 ( -1.711 3.212 -8.861) 9.579 3.817 ( -9.220 -1.008 -9.951) 13.603 4.718 ( -8.123 7.603 -2.945) 11.509 4.852 ( -2.364 0.650 -3.880) 4.590 5.552 ( -1.286 6.389 1.634) 6.719 5.717 ( -2.899 0.132 -0.831) 3.018 6.435 ( 1.084 5.820 -2.929) 6.605 6.555 ( 2.075 5.913 -7.724) 9.947 6.835 ( -2.808 -1.263 -1.477) 3.415 7.166 ( 0.395 -11.713 0.697) 11.741 7.891 ( 4.941 6.124 7.501) 10.871 8.025 ( 2.930 4.032 0.806) 5.048 8.245 ( -1.751 12.784 2.843) 13.212 8.363 ( 2.618 6.863 -2.693) 7.824 8.504 ( -1.302 -0.783 2.992) 3.356 8.587 ( -5.410 0.966 8.446) 10.076 9.214 ( -3.234 4.969 7.075) 9.231 9.632 ( 3.240 -7.506 4.834) 9.498 10.039 ( -3.759 8.471 0.072) 9.268 10.183 ( 1.596 7.836 -3.832) 8.868 10.454 ( -0.606 -5.018 1.225) 5.201 10.536 ( -3.100 -1.797 0.875) 3.688 10.941 ( 10.534 -9.936 -0.356) 14.485 11.004 ( 7.572 1.741 4.167) 8.816 11.191 ( -1.104 -29.485 0.692) 29.513 11.281 ( 4.599 -10.395 -1.009) 11.411 12.295 ( 3.599 4.322 0.619) 5.658 12.549 ( -0.084 -0.494 -4.668) 4.695 12.662 ( -4.303 1.979 -1.601) 5.000 13.042 ( -0.417 -15.727 -2.502) 15.930 13.788 ( 3.746 2.362 4.060) 6.008 13.986 ( 1.246 -5.283 1.765) 5.708 14.369 ( -1.818 4.451 -1.774) 5.125 14.587 ( -3.295 -3.665 -1.579) 5.175 15.814 ( 0.131 12.766 2.069) 12.934 16.205 ( 3.762 -6.330 1.911) 7.607 16.529 ( -1.107 3.720 -1.525) 4.170 16.559 ( 2.961 3.235 -2.938) 5.279 18.398 ( -1.660 2.270 0.492) 2.855 18.523 ( -0.918 -3.264 1.739) 3.810 19.438 ( -0.058 9.149 -3.231) 9.703 19.893 ( 2.801 -11.759 0.075) 12.088 ======================= Grid point 114 (59/205) ======================= q-point: (-0.33 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( -14.573 16.884 7.706) 23.597 2.090 ( -9.547 13.871 -8.904) 19.047 2.607 ( -2.852 -12.518 2.704) 13.121 2.715 ( -1.829 -13.076 0.301) 13.207 3.477 ( -15.123 6.087 -8.863) 18.555 3.562 ( -1.852 3.200 -2.236) 4.321 3.681 ( -1.381 0.499 0.344) 1.508 3.835 ( 8.330 -3.604 5.078) 10.400 4.510 ( -12.820 9.566 -0.944) 16.023 4.717 ( -7.767 -1.625 -3.755) 8.778 5.481 ( -7.865 6.658 -0.141) 10.306 5.596 ( -6.463 0.992 -5.812) 8.748 6.392 ( -0.170 3.689 -5.675) 6.771 6.533 ( 1.407 1.940 -3.904) 4.581 6.782 ( -2.112 2.645 0.745) 3.465 7.182 ( -0.098 -11.037 1.827) 11.187 7.926 ( -8.447 8.141 0.692) 11.752 8.119 ( 2.500 8.921 5.707) 10.881 8.250 ( 4.619 12.727 3.167) 13.905 8.393 ( -3.886 1.734 -6.280) 7.586 8.483 ( 0.371 -3.379 3.892) 5.168 8.637 ( 0.500 -4.575 9.547) 10.598 9.219 ( -3.465 5.037 7.113) 9.379 9.685 ( -0.286 -7.434 -4.228) 8.557 9.938 ( -3.919 11.023 1.335) 11.775 10.161 ( -3.612 1.726 0.757) 4.074 10.486 ( 3.340 -10.225 -6.108) 12.369 10.621 ( 8.962 1.687 8.187) 12.255 11.078 ( 14.853 0.878 -5.466) 15.852 11.170 ( 5.387 -18.691 0.602) 19.461 11.381 ( 14.710 -14.117 10.443) 22.908 11.438 ( 11.151 -2.941 6.051) 13.023 12.364 ( 0.369 3.277 2.677) 4.247 12.460 ( -4.349 5.621 -6.142) 9.393 12.560 ( -3.351 -3.890 -3.322) 6.116 12.971 ( -2.130 -16.800 -7.410) 18.485 13.885 ( 0.349 4.018 5.479) 6.804 14.054 ( 3.669 -2.690 4.388) 6.321 14.335 ( 1.314 1.666 -3.022) 3.692 14.501 ( -3.828 -3.893 -2.110) 5.853 15.816 ( -2.359 15.962 1.093) 16.172 16.304 ( 4.768 -7.863 1.973) 9.405 16.554 ( 6.186 4.469 -0.869) 7.681 16.639 ( 9.677 2.002 -3.115) 10.361 18.359 ( -3.356 1.931 0.548) 3.911 18.490 ( -4.327 -4.227 0.554) 6.075 19.383 ( -3.302 11.252 -1.476) 11.819 19.906 ( -1.502 -13.790 -0.246) 13.874 ======================= Grid point 115 (60/205) ======================= q-point: (-0.22 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( -14.295 20.048 2.859) 24.787 1.864 ( -8.034 18.849 -5.533) 21.224 2.539 ( -3.696 -14.702 -2.865) 15.428 2.655 ( -6.153 -14.337 1.315) 15.656 3.155 ( -15.795 14.795 0.620) 21.651 3.514 ( -1.204 0.371 -1.324) 1.827 3.707 ( 0.332 2.295 4.336) 4.918 3.967 ( 1.610 -3.164 0.732) 3.625 4.320 ( -7.285 7.896 1.126) 10.802 4.551 ( -7.552 -2.803 -1.577) 8.208 5.290 ( -11.161 6.566 -3.525) 13.420 5.433 ( -3.998 -1.762 -6.946) 8.206 6.341 ( -0.018 2.534 -3.518) 4.336 6.508 ( -0.451 -3.279 -1.974) 3.854 6.789 ( 0.659 6.380 2.423) 6.856 7.198 ( -0.014 -9.630 1.487) 9.744 7.724 ( -11.649 8.974 -2.432) 14.905 8.118 ( -11.367 -5.063 -7.339) 14.447 8.195 ( -1.268 10.922 6.137) 12.591 8.467 ( 8.990 6.568 2.747) 11.467 8.537 ( 0.050 -3.157 5.315) 6.182 8.711 ( -1.458 -5.901 4.844) 7.773 9.274 ( 0.313 4.117 8.431) 9.387 9.571 ( -1.722 10.204 -8.918) 13.661 9.866 ( -12.058 -11.350 6.926) 17.950 10.161 ( 4.648 1.950 -5.116) 7.182 10.507 ( 7.522 -1.784 -2.155) 8.025 10.873 ( 12.341 6.483 2.675) 14.195 11.274 ( 8.334 -21.728 -0.612) 23.279 11.355 ( 20.885 6.508 -6.421) 22.798 11.747 ( 14.378 -5.901 10.799) 18.925 11.756 ( 11.714 -6.895 14.051) 19.550 12.277 ( -8.786 3.511 -6.798) 11.650 12.297 ( -7.082 0.012 -1.588) 7.258 12.526 ( -0.829 -5.040 1.244) 5.257 12.827 ( -4.468 -13.189 -9.191) 16.685 13.889 ( -4.347 8.670 2.668) 10.059 14.188 ( 5.768 0.213 5.153) 7.737 14.344 ( 2.432 -1.249 -4.802) 5.526 14.450 ( -0.113 -4.840 1.090) 4.962 15.766 ( -3.497 19.310 0.283) 19.627 16.394 ( 5.343 -10.864 -0.955) 12.145 16.697 ( 8.795 3.896 1.323) 9.710 16.815 ( 11.956 0.496 0.660) 11.984 18.296 ( -4.300 1.273 0.067) 4.485 18.398 ( -5.401 -3.471 -1.112) 6.515 19.302 ( -4.784 12.271 -0.682) 13.188 19.829 ( -5.347 -13.512 -3.481) 14.942 ======================= Grid point 116 (61/205) ======================= q-point: (-0.11 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -9.435 22.079 2.434) 24.133 1.727 ( -4.312 22.445 0.316) 22.858 2.474 ( -2.115 -16.108 1.383) 16.305 2.544 ( -7.198 -10.751 0.882) 12.969 2.977 ( -9.305 17.606 6.007) 20.800 3.496 ( -0.913 -0.363 1.552) 1.837 3.740 ( -0.385 1.917 0.892) 2.149 3.908 ( -4.461 6.401 -2.839) 8.303 4.310 ( 1.969 -0.824 2.440) 3.242 4.441 ( -5.310 -3.239 0.958) 6.294 5.091 ( -5.669 5.759 -4.984) 9.494 5.334 ( -0.349 -5.864 -4.687) 7.515 6.327 ( 0.855 1.831 -0.588) 2.105 6.497 ( -0.154 -5.353 1.538) 5.571 6.826 ( 0.912 7.010 0.695) 7.103 7.208 ( -0.310 -8.953 0.747) 8.990 7.540 ( -6.988 8.794 0.162) 11.233 7.895 ( -5.361 -4.452 -3.783) 7.929 8.230 ( -2.983 9.396 7.085) 12.140 8.547 ( 1.329 2.521 -5.561) 6.249 8.594 ( -0.502 -10.906 7.119) 13.034 8.727 ( -1.461 -3.064 3.494) 4.872 9.355 ( 1.679 5.184 2.970) 6.206 9.497 ( -1.999 13.569 -1.952) 13.854 9.699 ( -10.921 -9.774 2.636) 14.891 10.160 ( 3.809 -8.034 -6.190) 10.834 10.729 ( 16.869 8.913 0.369) 19.082 11.056 ( 6.997 8.328 -0.506) 10.889 11.395 ( 4.935 -12.743 -1.546) 13.753 11.603 ( 16.276 1.279 -10.282) 19.294 11.859 ( -8.147 1.960 -1.708) 8.551 12.067 ( 6.774 -6.753 11.231) 14.752 12.135 ( -5.258 -3.902 0.437) 6.562 12.270 ( 8.756 -2.205 3.393) 9.646 12.502 ( -5.410 -7.072 4.027) 9.772 12.655 ( -5.555 -10.135 -4.648) 12.457 13.818 ( -4.301 10.869 -0.455) 11.698 14.303 ( 0.471 -4.447 -6.702) 8.057 14.341 ( 5.780 2.697 4.545) 7.832 14.488 ( 0.240 -2.825 2.891) 4.049 15.726 ( -1.928 21.684 1.594) 21.828 16.464 ( 4.804 -12.971 -2.832) 14.119 16.841 ( 5.014 3.384 2.507) 6.548 17.020 ( 7.536 -3.822 4.130) 9.405 18.228 ( -2.642 1.314 -0.389) 2.976 18.312 ( -2.599 -2.397 -1.198) 3.733 19.213 ( -3.817 12.349 -2.044) 13.085 19.668 ( -5.253 -9.249 -8.819) 13.817 ======================= Grid point 117 (62/205) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( -0.730 -19.520 -0.611) 19.544 2.036 ( -0.730 19.520 -0.611) 19.544 2.210 ( 1.081 -18.185 8.817) 20.238 2.210 ( 1.081 18.185 8.817) 20.238 3.314 ( -0.660 -15.019 4.893) 15.810 3.314 ( -0.660 15.019 4.893) 15.810 3.871 ( 0.310 -5.309 -1.811) 5.618 3.871 ( 0.310 5.309 -1.811) 5.618 4.330 ( -1.165 -0.992 0.968) 1.810 4.330 ( -1.165 0.992 0.968) 1.810 5.168 ( 3.419 -7.565 -2.832) 8.772 5.168 ( 3.419 7.565 -2.832) 8.772 6.425 ( 1.935 -4.776 2.126) 5.575 6.425 ( 1.935 4.776 2.126) 5.575 6.995 ( -1.358 -10.225 -0.533) 10.328 6.995 ( -1.358 10.225 -0.533) 10.328 7.745 ( 3.754 -10.096 4.239) 11.575 7.745 ( 3.754 10.096 4.239) 11.575 8.395 ( -3.150 -7.693 4.328) 9.372 8.395 ( -3.150 7.693 4.328) 9.372 8.598 ( -1.905 -4.890 -2.246) 5.709 8.598 ( -1.905 4.890 -2.246) 5.709 9.318 ( -6.673 -1.675 -8.203) 10.706 9.318 ( -6.673 1.675 -8.203) 10.706 9.991 ( 5.471 -15.638 7.187) 18.060 9.991 ( 5.471 15.638 7.187) 18.060 11.065 ( -4.050 -6.132 -3.271) 8.044 11.065 ( -4.050 6.132 -3.271) 8.044 11.431 ( 6.509 -12.188 -8.801) 16.383 11.431 ( 6.509 12.188 -8.801) 16.383 11.933 ( -3.270 -5.055 0.111) 6.021 11.933 ( -3.270 5.055 0.111) 6.021 12.301 ( -9.724 -3.523 -1.496) 10.450 12.301 ( -9.724 3.523 -1.496) 10.450 12.435 ( 9.533 -13.291 9.200) 18.766 12.435 ( 9.533 13.291 9.200) 18.766 14.022 ( -0.893 -13.006 -4.558) 13.811 14.022 ( -0.893 13.006 -4.558) 13.811 14.479 ( -0.166 -1.133 1.926) 2.241 14.479 ( -0.166 1.133 1.926) 2.241 16.159 ( 0.618 -18.432 0.050) 18.443 16.159 ( 0.618 18.432 0.050) 18.443 16.994 ( -1.746 -5.453 4.223) 7.115 16.994 ( -1.746 5.453 4.223) 7.115 18.257 ( 1.429 -2.235 0.629) 2.726 18.257 ( 1.429 2.235 0.629) 2.726 19.369 ( 1.059 -9.585 -7.510) 12.223 19.369 ( 1.059 9.585 -7.510) 12.223 ======================= Grid point 119 (63/205) ======================= q-point: ( 0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 1.311 -17.688 -1.049) 17.767 2.026 ( 1.311 17.688 -1.049) 17.767 2.385 ( 4.956 -18.637 11.675) 22.544 2.385 ( 4.956 18.637 11.675) 22.544 3.432 ( 7.284 -12.792 7.341) 16.450 3.432 ( 7.284 12.792 7.341) 16.450 3.821 ( -2.608 -6.807 -4.724) 8.686 3.821 ( -2.608 6.807 -4.724) 8.686 4.373 ( 4.789 -7.556 2.497) 9.288 4.373 ( 4.789 7.556 2.497) 9.288 5.248 ( 8.162 -7.235 -2.510) 11.192 5.248 ( 8.162 7.235 -2.510) 11.192 6.490 ( 3.649 -5.785 0.614) 6.867 6.490 ( 3.649 5.785 0.614) 6.867 6.960 ( -2.132 -11.447 0.236) 11.646 6.960 ( -2.132 11.447 0.236) 11.646 7.918 ( 9.311 -10.060 4.150) 14.322 7.918 ( 9.311 10.060 4.150) 14.322 8.360 ( -3.567 -6.018 -0.171) 6.998 8.360 ( -3.567 6.018 -0.171) 6.998 8.546 ( -3.079 -2.547 1.786) 4.377 8.546 ( -3.079 2.547 1.786) 4.377 9.149 ( -0.372 -7.442 -11.227) 13.475 9.149 ( -0.372 7.442 -11.227) 13.475 10.161 ( 3.860 -16.147 8.873) 18.824 10.161 ( 3.860 16.147 8.873) 18.824 10.877 ( -10.561 -10.459 -3.396) 15.246 10.877 ( -10.561 10.459 -3.396) 15.246 11.382 ( -6.819 -9.870 -2.707) 12.299 11.382 ( -6.819 9.870 -2.707) 12.299 11.776 ( -16.229 -4.259 -1.423) 16.839 11.776 ( -16.229 4.259 -1.423) 16.839 12.242 ( 6.553 -5.557 -1.683) 8.755 12.242 ( 6.553 5.557 -1.683) 8.755 12.650 ( 6.373 -13.598 5.416) 15.964 12.650 ( 6.373 13.598 5.416) 15.964 13.943 ( -1.751 -9.865 -6.757) 12.084 13.943 ( -1.751 9.865 -6.757) 12.084 14.481 ( -1.704 -1.251 2.906) 3.593 14.481 ( -1.704 1.251 2.906) 3.593 16.155 ( -1.282 -15.146 -0.054) 15.201 16.155 ( -1.282 15.146 -0.054) 15.201 16.961 ( -6.968 -5.555 4.597) 10.027 16.961 ( -6.968 5.555 4.597) 10.027 18.307 ( 2.651 -2.682 1.380) 4.016 18.307 ( 2.651 2.682 1.380) 4.016 19.358 ( 7.320 -9.237 -8.562) 14.567 19.358 ( 7.320 9.237 -8.562) 14.567 ======================= Grid point 121 (64/205) ======================= q-point: ( 0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 3.746 -12.362 2.661) 13.188 2.076 ( 3.746 12.362 2.661) 13.188 2.565 ( 3.384 -16.537 8.785) 19.029 2.565 ( 3.384 16.537 8.785) 19.029 3.645 ( 3.797 -2.994 0.681) 4.884 3.645 ( 3.797 2.994 0.681) 4.884 3.731 ( 2.238 -1.568 1.354) 3.050 3.731 ( 2.238 1.568 1.354) 3.050 4.539 ( 10.661 -8.429 2.980) 13.913 4.539 ( 10.661 8.429 2.980) 13.913 5.369 ( 9.159 -6.577 -3.322) 11.755 5.369 ( 9.159 6.577 -3.322) 11.755 6.547 ( 4.167 -7.524 -2.775) 9.037 6.547 ( 4.167 7.524 -2.775) 9.037 6.941 ( -0.868 -10.937 1.331) 11.052 6.941 ( -0.868 10.937 1.331) 11.052 8.025 ( 0.778 -4.627 -5.020) 6.871 8.025 ( 0.778 4.626 -5.020) 6.871 8.342 ( 3.666 -5.369 0.153) 6.503 8.342 ( 3.666 5.369 0.153) 6.503 8.537 ( -2.819 -7.033 6.654) 10.084 8.537 ( -2.819 7.033 6.654) 10.084 9.099 ( 4.441 -9.824 -5.543) 12.123 9.099 ( 4.441 9.824 -5.543) 12.123 10.260 ( -0.323 -11.531 3.127) 11.952 10.260 ( -0.323 11.531 3.127) 11.952 10.708 ( -8.469 -9.439 3.369) 13.121 10.708 ( -8.469 9.439 3.369) 13.121 11.175 ( -14.203 -10.577 -0.376) 17.713 11.175 ( -14.203 10.577 -0.376) 17.713 11.445 ( -16.815 -1.949 -3.597) 17.306 11.445 ( -16.815 1.949 -3.597) 17.306 12.381 ( 7.581 -6.000 0.276) 9.672 12.381 ( 7.581 6.000 0.276) 9.672 12.757 ( 2.921 -12.003 0.887) 12.386 12.757 ( 2.921 12.003 0.887) 12.386 13.844 ( -1.256 -6.588 -6.151) 9.101 13.844 ( -1.256 6.588 -6.151) 9.101 14.492 ( -0.694 -2.702 3.300) 4.321 14.492 ( -0.694 2.702 3.300) 4.321 16.113 ( -3.016 -10.791 -0.875) 11.239 16.113 ( -3.016 10.791 -0.875) 11.239 16.864 ( -9.574 -5.420 4.586) 11.919 16.864 ( -9.574 5.420 4.586) 11.919 18.363 ( 2.701 -2.597 0.641) 3.802 18.363 ( 2.701 2.597 0.641) 3.802 19.434 ( 10.198 -9.166 -7.059) 15.422 19.434 ( 10.198 9.166 -7.059) 15.422 ======================= Grid point 123 (65/205) ======================= q-point: ( 0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.199 ( 3.495 -5.757 8.334) 10.715 2.199 ( 3.495 5.757 8.334) 10.715 2.663 ( 0.851 -10.477 2.742) 10.863 2.663 ( 0.851 10.477 2.742) 10.863 3.563 ( -4.129 -4.861 -1.318) 6.512 3.563 ( -4.129 4.861 -1.318) 6.512 3.902 ( 7.130 -4.400 0.677) 8.406 3.902 ( 7.130 4.400 0.677) 8.406 4.753 ( 10.941 -4.834 0.350) 11.966 4.753 ( 10.941 4.834 0.350) 11.966 5.494 ( 8.124 -6.406 -0.714) 10.370 5.494 ( 8.124 6.406 -0.714) 10.370 6.580 ( 4.180 -8.708 -4.617) 10.706 6.580 ( 4.180 8.708 -4.617) 10.706 6.946 ( 0.026 -9.530 0.165) 9.531 6.946 ( 0.026 9.530 0.165) 9.531 7.926 ( -2.116 -5.376 -6.400) 8.622 7.926 ( -2.116 5.376 -6.400) 8.622 8.392 ( 0.219 -7.377 0.694) 7.413 8.392 ( 0.219 7.377 0.694) 7.413 8.598 ( 0.528 -6.646 6.957) 9.636 8.598 ( 0.528 6.646 6.957) 9.636 9.173 ( 5.741 -10.014 1.720) 11.670 9.173 ( 5.741 10.014 1.720) 11.670 10.246 ( -0.531 -5.738 -0.510) 5.785 10.246 ( -0.531 5.738 -0.510) 5.785 10.622 ( -7.108 -4.528 3.244) 9.031 10.622 ( -7.108 4.528 3.244) 9.031 10.929 ( -15.727 -14.385 2.840) 21.502 10.929 ( -15.727 14.385 2.840) 21.502 11.194 ( -7.035 -2.120 -4.227) 8.477 11.194 ( -7.035 2.120 -4.227) 8.477 12.447 ( 0.185 -8.333 -0.538) 8.353 12.447 ( 0.185 8.333 -0.538) 8.353 12.800 ( 2.753 -9.770 -0.629) 10.170 12.800 ( 2.753 9.770 -0.629) 10.170 13.798 ( 1.327 -6.047 -3.022) 6.889 13.798 ( 1.327 6.047 -3.022) 6.889 14.518 ( 0.053 -4.343 2.284) 4.907 14.518 ( 0.053 4.343 2.284) 4.907 16.045 ( -3.181 -8.585 -1.039) 9.214 16.045 ( -3.181 8.585 -1.039) 9.214 16.741 ( -9.101 -4.204 3.185) 10.519 16.741 ( -9.101 4.204 3.185) 10.519 18.414 ( 2.599 -2.327 0.288) 3.500 18.414 ( 2.599 2.327 0.288) 3.500 19.539 ( 8.688 -8.974 -4.844) 13.397 19.539 ( 8.688 8.974 -4.844) 13.397 ======================= Grid point 125 (66/205) ======================= q-point: ( 0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -0.999 -3.695 12.224) 12.809 2.332 ( -0.999 3.695 12.224) 12.809 2.644 ( -1.761 -3.105 -4.432) 5.690 2.644 ( -1.761 3.105 -4.432) 5.690 3.532 ( -0.841 -3.351 3.694) 5.058 3.532 ( -0.841 3.351 3.694) 5.058 3.934 ( 0.945 -3.406 -7.637) 8.416 3.934 ( 0.945 3.406 -7.637) 8.416 4.874 ( 4.215 -1.774 -3.241) 5.605 4.874 ( 4.215 1.774 -3.241) 5.605 5.620 ( 4.295 -5.777 3.071) 7.827 5.620 ( 4.295 5.777 3.071) 7.827 6.592 ( 3.171 -7.390 -5.887) 9.966 6.592 ( 3.171 7.390 -5.887) 9.966 6.939 ( -0.516 -8.935 -0.474) 8.962 6.939 ( -0.516 8.935 -0.474) 8.962 7.888 ( 2.738 -5.798 -0.566) 6.437 7.888 ( 2.738 5.798 -0.566) 6.437 8.397 ( -0.748 -6.980 2.413) 7.423 8.397 ( -0.748 6.980 2.413) 7.423 8.633 ( -2.973 -1.179 3.192) 4.518 8.633 ( -2.973 1.179 3.192) 4.518 9.296 ( 3.327 -10.025 5.784) 12.043 9.296 ( 3.327 10.025 5.784) 12.043 10.266 ( 2.831 -7.888 -1.197) 8.465 10.266 ( 2.831 7.888 -1.197) 8.465 10.549 ( -2.797 -2.522 1.336) 3.995 10.549 ( -2.797 2.522 1.336) 3.995 10.707 ( -12.958 -18.465 4.264) 22.958 10.707 ( -12.958 18.465 4.264) 22.958 11.110 ( 0.982 -5.222 -3.756) 6.507 11.110 ( 0.982 5.222 -3.756) 6.507 12.422 ( 0.038 -9.200 -2.147) 9.447 12.422 ( 0.038 9.200 -2.147) 9.447 12.828 ( 0.384 -7.945 -0.547) 7.974 12.828 ( 0.384 7.945 -0.547) 7.974 13.816 ( 2.371 -6.475 -0.114) 6.896 13.816 ( 2.371 6.475 -0.114) 6.896 14.526 ( -1.109 -5.707 0.385) 5.826 14.526 ( -1.109 5.707 0.385) 5.826 16.007 ( -0.421 -8.591 0.466) 8.614 16.007 ( -0.421 8.591 0.466) 8.614 16.632 ( -5.423 -1.944 0.414) 5.776 16.632 ( -5.423 1.944 0.414) 5.776 18.451 ( 1.046 -2.499 0.581) 2.771 18.451 ( 1.046 2.499 0.581) 2.771 19.619 ( 5.171 -9.705 -2.890) 11.370 19.619 ( 5.171 9.705 -2.890) 11.370 ======================= Grid point 127 (67/205) ======================= q-point: (-0.44 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( -6.665 -9.026 11.621) 16.154 2.390 ( -6.665 9.026 11.621) 16.154 2.538 ( -3.157 -8.994 -7.067) 11.866 2.538 ( -3.157 8.994 -7.067) 11.866 3.598 ( 3.252 -1.011 4.015) 5.265 3.598 ( 3.252 1.011 4.015) 5.265 3.801 ( -4.836 -0.816 -10.033) 11.168 3.801 ( -4.836 0.816 -10.033) 11.168 4.828 ( -4.947 -3.133 -3.833) 6.998 4.828 ( -4.947 3.133 -3.833) 6.998 5.668 ( -2.291 -4.489 2.085) 5.454 5.668 ( -2.291 4.489 2.085) 5.454 6.560 ( 0.951 -5.018 -7.379) 8.974 6.560 ( 0.951 5.018 -7.379) 8.974 6.929 ( -0.762 -9.990 1.210) 10.092 6.929 ( -0.762 9.990 1.210) 10.092 8.002 ( 6.481 -4.208 5.109) 9.264 8.002 ( 6.481 4.208 5.109) 9.264 8.418 ( -0.068 -3.338 1.518) 3.668 8.418 ( -0.068 3.338 1.518) 3.668 8.574 ( -5.752 -5.015 1.662) 7.810 8.574 ( -5.752 5.015 1.662) 7.810 9.381 ( -0.987 -12.278 6.861) 14.099 9.381 ( -0.987 12.278 6.861) 14.099 10.277 ( 1.056 -8.401 -3.784) 9.274 10.277 ( 1.056 8.401 -3.784) 9.274 10.461 ( -7.734 -11.087 1.130) 13.565 10.461 ( -7.734 11.087 1.130) 13.565 10.729 ( 9.068 -3.318 4.476) 10.643 10.729 ( 9.068 3.318 4.476) 10.643 11.151 ( 6.724 -6.107 0.125) 9.084 11.151 ( 6.724 6.107 0.125) 9.084 12.432 ( 2.941 -7.927 -1.222) 8.543 12.432 ( 2.941 7.927 -1.222) 8.543 12.784 ( -3.037 -8.951 -3.911) 10.229 12.784 ( -3.037 8.951 -3.911) 10.229 13.875 ( 3.011 -5.324 2.922) 6.779 13.875 ( 3.011 5.324 2.922) 6.779 14.482 ( -3.100 -5.946 -1.636) 6.903 14.482 ( -3.100 5.946 -1.636) 6.903 16.043 ( 2.445 -9.473 2.230) 10.034 16.043 ( 2.445 9.473 2.230) 10.034 16.579 ( 0.710 -0.985 -2.150) 2.469 16.579 ( 0.710 0.985 -2.150) 2.469 18.454 ( -1.558 -3.179 0.726) 3.614 18.454 ( -1.558 3.179 0.726) 3.614 19.653 ( 1.236 -11.409 -1.409) 11.562 19.653 ( 1.236 11.409 -1.409) 11.562 ======================= Grid point 129 (68/205) ======================= q-point: (-0.33 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.338 ( -7.761 -13.004 2.465) 15.343 2.338 ( -7.761 13.004 2.465) 15.343 2.414 ( -5.615 -15.581 -1.844) 16.664 2.414 ( -5.615 15.581 -1.844) 16.664 3.571 ( -6.535 -3.030 -7.679) 10.529 3.571 ( -6.535 3.030 -7.679) 10.529 3.736 ( 3.359 -5.158 4.577) 7.670 3.736 ( 3.359 5.158 4.577) 7.670 4.657 ( -10.240 -4.693 -2.459) 11.529 4.657 ( -10.240 4.693 -2.459) 11.529 5.579 ( -7.931 -2.841 -1.930) 8.643 5.579 ( -7.931 2.841 -1.930) 8.643 6.486 ( -0.793 -4.745 -6.487) 8.076 6.486 ( -0.793 4.745 -6.487) 8.076 6.943 ( 0.094 -11.152 2.540) 11.438 6.943 ( 0.094 11.152 2.540) 11.438 8.118 ( -2.549 -8.793 3.182) 9.692 8.118 ( -2.549 8.793 3.182) 9.692 8.369 ( -2.213 -5.319 -2.193) 6.164 8.369 ( -2.213 5.319 -2.193) 6.164 8.558 ( -0.530 -5.169 6.134) 8.039 8.558 ( -0.530 5.169 6.134) 8.039 9.420 ( -1.944 -14.300 7.136) 16.099 9.420 ( -1.944 14.300 7.136) 16.099 10.161 ( -7.036 -11.393 -7.389) 15.293 10.161 ( -7.036 11.393 -7.389) 15.293 10.485 ( 8.048 -15.248 2.705) 17.452 10.485 ( 8.048 15.248 2.705) 17.452 10.976 ( 15.037 -11.112 1.257) 18.740 10.976 ( 15.037 11.112 1.257) 18.740 11.356 ( 12.433 -5.485 7.629) 15.585 11.356 ( 12.433 5.485 7.629) 15.585 12.458 ( -1.468 -4.503 -0.085) 4.737 12.458 ( -1.468 4.503 -0.085) 4.737 12.659 ( -2.740 -12.822 -8.359) 15.549 12.659 ( -2.740 12.822 -8.359) 15.549 13.981 ( 3.994 -4.507 5.744) 8.322 13.981 ( 3.994 4.507 5.744) 8.322 14.403 ( -2.684 -4.732 -3.038) 6.231 14.403 ( -2.684 4.732 -3.038) 6.231 16.101 ( 1.502 -11.868 1.402) 12.045 16.101 ( 1.502 11.868 1.402) 12.045 16.629 ( 7.589 -2.516 -1.776) 8.190 16.629 ( 7.589 2.516 -1.776) 8.190 18.412 ( -3.874 -3.218 0.291) 5.045 18.412 ( -3.874 3.218 0.291) 5.045 19.632 ( -2.292 -12.838 -0.842) 13.068 19.632 ( -2.292 12.838 -0.842) 13.068 ======================= Grid point 131 (69/205) ======================= q-point: (-0.22 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.195 ( -7.652 -12.299 -2.846) 14.762 2.195 ( -7.652 12.299 -2.846) 14.762 2.305 ( -6.522 -15.406 0.207) 16.731 2.305 ( -6.522 15.406 0.207) 16.731 3.410 ( -7.713 -9.355 1.256) 12.190 3.410 ( -7.713 9.355 1.256) 12.190 3.830 ( 3.180 -7.963 1.254) 8.666 3.830 ( 3.180 7.963 1.254) 8.666 4.472 ( -8.770 -5.630 -0.257) 10.425 4.472 ( -8.770 5.630 -0.257) 10.425 5.388 ( -9.082 -3.105 -5.156) 10.895 5.388 ( -9.082 3.105 -5.156) 10.895 6.418 ( -1.119 -4.660 -3.100) 5.708 6.418 ( -1.119 4.660 -3.100) 5.708 6.977 ( 0.910 -10.878 2.039) 11.105 6.977 ( 0.910 10.878 2.039) 11.105 7.945 ( -12.160 -11.025 -3.788) 16.845 7.945 ( -12.160 11.025 -3.788) 16.845 8.382 ( -0.589 -7.501 4.185) 8.610 8.382 ( -0.589 7.501 4.185) 8.610 8.618 ( 0.779 -4.272 3.343) 5.480 8.618 ( 0.779 4.272 3.343) 5.480 9.474 ( -1.694 -13.619 8.969) 16.394 9.474 ( -1.694 13.619 8.969) 16.394 9.965 ( -4.929 -15.293 -8.843) 18.341 9.965 ( -4.929 15.293 -8.843) 18.341 10.716 ( 13.817 -17.228 3.726) 22.396 10.716 ( 13.817 17.228 3.726) 22.396 11.238 ( 17.058 -14.540 -5.013) 22.967 11.238 ( 17.058 14.540 -5.013) 22.967 11.693 ( 13.276 -4.319 13.124) 19.161 11.693 ( 13.276 4.319 13.124) 19.161 12.315 ( -8.910 -1.637 -6.784) 11.318 12.315 ( -8.910 1.637 -6.784) 11.318 12.578 ( -1.844 -10.196 -2.789) 10.730 12.578 ( -1.844 10.196 -2.789) 10.730 14.087 ( 0.779 -9.139 3.978) 9.997 14.087 ( 0.779 9.139 3.978) 9.997 14.365 ( 2.191 -3.064 -1.671) 4.121 14.365 ( 2.191 3.064 -1.671) 4.121 16.124 ( 1.079 -15.387 -0.434) 15.431 16.124 ( 1.079 15.387 -0.434) 15.431 16.777 ( 9.221 -3.460 0.911) 9.891 16.777 ( 9.221 3.460 0.911) 9.891 18.336 ( -4.577 -2.526 -0.516) 5.253 18.336 ( -4.577 2.526 -0.516) 5.253 19.560 ( -4.382 -12.818 -1.827) 13.669 19.560 ( -4.382 12.818 -1.827) 13.669 ======================= Grid point 133 (70/205) ======================= q-point: (-0.11 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -4.072 -12.482 -0.532) 13.140 2.068 ( -4.072 12.482 -0.532) 13.140 2.207 ( -5.412 -13.081 1.843) 14.276 2.207 ( -5.412 13.081 1.843) 14.276 3.328 ( -5.722 -13.760 4.520) 15.573 3.328 ( -5.722 13.760 4.520) 15.573 3.867 ( 1.236 -7.174 -0.532) 7.299 3.867 ( 1.236 7.174 -0.532) 7.299 4.368 ( -4.295 -4.388 0.998) 6.221 4.368 ( -4.295 4.388 0.998) 6.221 5.213 ( -4.163 -5.971 -4.988) 8.824 5.213 ( -4.163 5.971 -4.988) 8.824 6.394 ( -0.043 -4.437 0.440) 4.459 6.394 ( -0.043 4.437 0.440) 4.459 7.004 ( 0.420 -9.921 0.524) 9.944 7.004 ( 0.420 9.921 0.524) 9.944 7.748 ( -6.451 -9.815 -0.607) 11.761 7.748 ( -6.451 9.815 -0.607) 11.761 8.397 ( -2.684 -7.750 4.811) 9.509 8.397 ( -2.684 7.750 4.811) 9.509 8.635 ( -0.353 -5.246 -0.727) 5.307 8.635 ( -0.353 5.246 -0.727) 5.307 9.481 ( -7.501 -8.376 3.846) 11.883 9.481 ( -7.501 8.376 3.846) 11.883 9.876 ( 3.412 -17.677 -2.959) 18.245 9.876 ( 3.412 17.677 -2.959) 18.245 10.983 ( 11.665 -14.028 3.040) 18.496 10.983 ( 11.665 14.028 3.040) 18.496 11.404 ( 11.539 -14.428 -12.378) 22.238 11.404 ( 11.539 14.428 -12.378) 22.238 11.968 ( -0.285 -6.312 6.889) 9.348 11.968 ( -0.285 6.312 6.889) 9.348 12.187 ( 6.219 -7.100 0.768) 9.470 12.187 ( 6.219 7.100 0.768) 9.470 12.481 ( -8.599 -5.862 0.475) 10.418 12.481 ( -8.599 5.862 0.475) 10.418 14.077 ( -1.821 -13.287 -1.699) 13.519 14.077 ( -1.821 13.287 -1.699) 13.519 14.431 ( 3.632 -3.439 1.537) 5.233 14.431 ( 3.632 3.439 1.537) 5.233 16.141 ( 1.527 -18.313 -0.521) 18.384 16.141 ( 1.527 18.313 -0.521) 18.384 16.927 ( 5.067 -4.742 3.203) 7.644 16.927 ( 5.067 4.742 3.203) 7.644 18.265 ( -2.409 -2.113 -0.673) 3.274 18.265 ( -2.409 2.113 -0.673) 3.274 19.457 ( -3.554 -11.223 -4.472) 12.594 19.457 ( -3.554 11.223 -4.472) 12.594 ======================= Grid point 162 (71/205) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.182 0.000 21.663) 21.664 0.964 ( 6.455 0.000 22.440) 23.350 1.940 ( -7.285 0.000 48.830) 49.371 2.863 ( -1.007 0.000 -4.071) 4.194 3.029 ( 0.111 0.000 -4.256) 4.257 3.072 ( -3.756 0.000 -7.056) 7.993 3.216 ( 3.358 0.000 5.575) 6.508 3.929 ( -1.566 0.000 7.939) 8.092 4.225 ( 0.184 0.000 -4.628) 4.632 4.738 ( 4.317 0.000 -7.375) 8.546 4.997 ( -3.189 0.000 6.235) 7.003 5.566 ( 6.271 0.000 -3.960) 7.417 6.330 ( -0.261 0.000 -9.665) 9.668 6.459 ( 2.834 0.000 -1.924) 3.426 7.161 ( -0.082 0.000 -4.055) 4.056 7.278 ( -2.298 0.000 11.654) 11.879 7.568 ( -5.232 0.000 3.094) 6.079 7.820 ( -4.325 0.000 -0.340) 4.338 8.329 ( 13.522 0.000 -0.018) 13.522 8.396 ( -6.506 0.000 11.581) 13.283 8.471 ( -2.063 0.000 2.709) 3.405 8.834 ( 6.148 0.000 4.751) 7.770 9.191 ( 14.413 0.000 2.721) 14.667 9.329 ( -8.988 0.000 -15.685) 18.078 10.207 ( 1.118 0.000 2.743) 2.962 10.425 ( 7.846 0.000 -2.588) 8.261 10.429 ( 0.564 0.000 -26.498) 26.504 10.877 ( -5.356 0.000 -5.722) 7.838 11.129 ( -4.802 0.000 0.624) 4.842 11.315 ( 7.864 0.000 -10.904) 13.444 11.848 ( 0.967 0.000 -8.073) 8.131 11.995 ( -20.291 0.000 -6.961) 21.452 13.135 ( -5.774 0.000 2.744) 6.393 13.219 ( 5.270 0.000 6.721) 8.541 13.278 ( 11.478 0.000 -1.619) 11.592 13.502 ( -25.614 0.000 -1.268) 25.645 13.805 ( -33.421 0.000 1.867) 33.473 13.856 ( 20.115 0.000 6.954) 21.284 14.667 ( 1.998 0.000 5.751) 6.088 14.838 ( -4.289 0.000 -0.015) 4.289 14.878 ( -8.630 0.000 11.558) 14.424 15.905 ( 19.493 0.000 -7.130) 20.756 16.830 ( -8.306 0.000 -1.984) 8.540 16.903 ( 6.247 0.000 -1.409) 6.404 18.276 ( 0.739 0.000 -2.586) 2.690 18.286 ( 9.717 0.000 -2.248) 9.973 18.572 ( -13.190 0.000 3.584) 13.668 18.597 ( 24.557 0.000 3.550) 24.812 ======================= Grid point 163 (72/205) ======================= q-point: ( 0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 16.155 0.000 19.043) 24.973 1.401 ( 15.606 0.000 20.852) 26.045 2.354 ( 1.552 0.000 28.651) 28.693 2.912 ( -5.780 0.000 -4.914) 7.586 2.985 ( 17.653 0.000 6.390) 18.774 3.056 ( 8.928 0.000 -7.508) 11.666 3.267 ( 0.008 0.000 -3.927) 3.927 4.025 ( 0.542 0.000 12.129) 12.141 4.201 ( -0.676 0.000 3.720) 3.781 4.773 ( 8.166 0.000 -7.023) 10.771 4.953 ( -7.008 0.000 2.026) 7.294 5.602 ( 3.721 0.000 -5.908) 6.983 6.238 ( -0.702 0.000 -6.180) 6.220 6.450 ( 0.928 0.000 -6.141) 6.210 7.143 ( 3.026 0.000 -2.525) 3.941 7.285 ( -3.897 0.000 0.674) 3.955 7.519 ( -3.402 0.000 2.055) 3.975 7.821 ( 1.187 0.000 5.343) 5.473 8.330 ( -16.061 0.000 20.507) 26.047 8.388 ( -7.154 0.000 -6.712) 9.810 8.472 ( 6.142 0.000 -4.339) 7.520 8.964 ( -8.945 0.000 5.586) 10.546 9.183 ( 9.191 0.000 2.094) 9.426 9.452 ( 7.749 0.000 4.895) 9.165 10.056 ( -6.164 0.000 -26.850) 27.549 10.236 ( 4.066 0.000 -3.551) 5.398 10.534 ( 6.537 0.000 -4.081) 7.707 10.819 ( 3.212 0.000 -6.350) 7.117 10.974 ( -10.337 0.000 -0.863) 10.373 11.364 ( 9.930 0.000 -7.316) 12.334 11.634 ( -17.827 0.000 -3.476) 18.163 11.832 ( 1.969 0.000 -2.060) 2.850 12.925 ( -31.914 0.000 9.746) 33.369 12.932 ( -13.254 0.000 1.268) 13.314 13.420 ( 1.630 0.000 2.809) 3.247 13.450 ( 8.732 0.000 5.748) 10.454 13.562 ( -2.486 0.000 -0.448) 2.526 14.181 ( 12.655 0.000 -1.939) 12.802 14.702 ( -10.421 0.000 -0.960) 10.465 14.759 ( -2.735 0.000 2.658) 3.814 14.893 ( 0.653 0.000 17.398) 17.410 16.006 ( 5.025 0.000 -6.588) 8.286 16.607 ( -13.072 0.000 -3.548) 13.545 16.951 ( -0.589 0.000 0.333) 0.676 18.274 ( 2.918 0.000 -3.762) 4.761 18.407 ( -8.210 0.000 1.006) 8.271 18.596 ( 24.003 0.000 -5.702) 24.671 19.128 ( 33.819 0.000 -6.742) 34.485 ======================= Grid point 164 (73/205) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( 23.300 0.000 16.338) 28.458 1.900 ( 16.698 0.000 23.342) 28.700 2.460 ( -5.837 0.000 4.648) 7.462 2.805 ( -0.194 0.000 -2.901) 2.908 3.025 ( -5.994 0.000 -12.242) 13.631 3.241 ( 11.073 0.000 -11.209) 15.756 3.573 ( 28.495 0.000 18.609) 34.033 4.160 ( -1.445 0.000 13.709) 13.785 4.288 ( 0.463 0.000 11.636) 11.645 4.801 ( -9.351 0.000 -3.954) 10.152 4.871 ( 12.825 0.000 -8.773) 15.539 5.578 ( 2.250 0.000 -8.642) 8.931 6.189 ( -0.118 0.000 -2.063) 2.067 6.374 ( -0.122 0.000 -9.382) 9.383 7.194 ( -2.236 0.000 -6.372) 6.753 7.236 ( 6.028 0.000 4.644) 7.609 7.511 ( 0.480 0.000 3.110) 3.147 7.924 ( 0.942 0.000 7.873) 7.929 8.094 ( -18.081 0.000 -3.235) 18.368 8.312 ( -9.853 0.000 16.324) 19.068 8.424 ( -4.342 0.000 -7.232) 8.435 8.919 ( -1.478 0.000 9.341) 9.457 9.305 ( -0.754 0.000 -0.529) 0.921 9.506 ( -8.302 0.000 7.054) 10.894 9.870 ( 5.310 0.000 -5.965) 7.986 10.263 ( 5.322 0.000 -9.379) 10.784 10.522 ( -0.487 0.000 -9.369) 9.381 10.837 ( 5.308 0.000 -3.651) 6.442 10.848 ( -4.422 0.000 3.722) 5.780 11.283 ( -17.421 0.000 -5.301) 18.210 11.518 ( 14.757 0.000 -5.098) 15.613 11.846 ( -0.344 0.000 2.536) 2.559 12.691 ( -7.708 0.000 6.800) 10.279 12.736 ( -11.225 0.000 0.450) 11.234 13.357 ( -6.940 0.000 2.106) 7.252 13.624 ( 5.614 0.000 4.505) 7.198 13.664 ( 9.192 0.000 0.591) 9.211 14.267 ( 2.466 0.000 -2.822) 3.748 14.482 ( -14.155 0.000 -0.156) 14.156 14.656 ( -9.213 0.000 1.747) 9.378 15.189 ( 11.803 0.000 12.092) 16.897 16.007 ( 2.805 0.000 -5.621) 6.282 16.366 ( -10.912 0.000 -2.128) 11.118 16.872 ( -9.251 0.000 0.435) 9.261 18.306 ( 3.895 0.000 -1.182) 4.071 18.334 ( -0.188 0.000 -0.832) 0.853 18.902 ( 20.031 0.000 -9.551) 22.191 19.555 ( 25.527 0.000 -7.351) 26.565 ======================= Grid point 165 (74/205) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -16.198 0.000 9.099) 18.579 2.341 ( 23.353 0.000 13.150) 26.800 2.426 ( 18.164 0.000 18.109) 25.649 2.713 ( -13.349 0.000 -12.388) 18.211 2.851 ( 7.966 0.000 -1.992) 8.212 3.325 ( 11.992 0.000 -13.474) 18.038 4.145 ( 18.481 0.000 7.317) 19.877 4.200 ( -11.231 0.000 12.853) 17.068 4.400 ( -2.422 0.000 11.599) 11.849 4.600 ( -4.411 0.000 -6.920) 8.206 5.025 ( 16.237 0.000 -10.668) 19.428 5.505 ( 0.945 0.000 -11.163) 11.203 6.193 ( 0.759 0.000 1.615) 1.785 6.278 ( 0.553 0.000 -9.144) 9.161 7.108 ( 0.156 0.000 -6.565) 6.567 7.370 ( 0.774 0.000 8.262) 8.298 7.615 ( 2.431 0.000 4.046) 4.721 7.771 ( -11.971 0.000 -0.409) 11.978 7.916 ( -11.284 0.000 4.795) 12.260 8.310 ( 2.328 0.000 -6.737) 7.128 8.361 ( -2.531 0.000 16.665) 16.856 8.999 ( -4.693 0.000 12.225) 13.095 9.342 ( -20.788 0.000 11.247) 23.636 9.345 ( 12.258 0.000 -1.960) 12.413 9.955 ( 2.392 0.000 3.178) 3.978 10.166 ( -1.758 0.000 -18.003) 18.089 10.374 ( -1.096 0.000 -11.170) 11.223 10.830 ( -12.925 0.000 3.097) 13.291 10.901 ( 1.661 0.000 8.230) 8.396 11.060 ( 5.998 0.000 -6.346) 8.732 11.741 ( 15.566 0.000 -3.327) 15.918 11.889 ( 2.461 0.000 2.510) 3.515 12.538 ( -11.475 0.000 -2.065) 11.660 12.692 ( -1.429 0.000 3.267) 3.565 13.309 ( 0.562 0.000 1.795) 1.881 13.727 ( 1.612 0.000 3.230) 3.609 13.819 ( 6.715 0.000 2.039) 7.018 14.246 ( -13.924 0.000 2.644) 14.172 14.275 ( 1.928 0.000 -0.482) 1.988 14.511 ( -8.289 0.000 -0.199) 8.291 15.462 ( 8.392 0.000 5.114) 9.827 15.986 ( 1.667 0.000 -6.717) 6.921 16.212 ( -5.626 0.000 0.216) 5.630 16.664 ( -13.591 0.000 -0.948) 13.624 18.339 ( 1.539 0.000 0.078) 1.541 18.421 ( 7.185 0.000 3.652) 8.060 19.068 ( 12.969 0.000 -13.227) 18.524 19.881 ( 19.820 0.000 -3.471) 20.122 ======================= Grid point 166 (75/205) ======================= q-point: (-0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( -22.654 0.000 8.657) 24.252 2.310 ( -19.152 0.000 -7.697) 20.641 2.829 ( 19.093 0.000 3.205) 19.360 2.854 ( 16.997 0.000 1.746) 17.087 3.044 ( 8.186 0.000 15.072) 17.152 3.394 ( 11.692 0.000 -8.815) 14.642 4.023 ( -17.495 0.000 2.838) 17.724 4.170 ( -12.697 0.000 -5.198) 13.720 4.414 ( -8.017 0.000 8.064) 11.371 4.655 ( 8.365 0.000 1.481) 8.496 5.173 ( 12.858 0.000 -11.502) 17.252 5.382 ( -0.156 0.000 -13.629) 13.630 6.223 ( 1.902 0.000 -5.758) 6.064 6.242 ( 1.660 0.000 3.863) 4.204 7.064 ( 0.667 0.000 -3.958) 4.013 7.401 ( -8.726 0.000 5.573) 10.354 7.523 ( -1.261 0.000 2.669) 2.952 7.714 ( -11.727 0.000 -0.660) 11.745 7.832 ( 3.271 0.000 5.651) 6.529 8.327 ( 4.394 0.000 -4.520) 6.303 8.589 ( 6.929 0.000 17.997) 19.285 9.057 ( 0.339 0.000 9.533) 9.539 9.071 ( -24.074 0.000 14.131) 27.915 9.641 ( 16.996 0.000 3.528) 17.358 9.901 ( -4.089 0.000 -18.775) 19.215 9.956 ( -3.656 0.000 0.465) 3.685 10.286 ( 1.876 0.000 -9.980) 10.154 10.664 ( -4.836 0.000 3.239) 5.820 11.008 ( 1.488 0.000 5.923) 6.107 11.195 ( 8.365 0.000 2.027) 8.607 11.955 ( 11.148 0.000 -1.258) 11.218 11.969 ( 3.880 0.000 1.920) 4.329 12.304 ( -10.104 0.000 -6.022) 11.762 12.638 ( -6.243 0.000 -1.289) 6.375 13.420 ( 5.768 0.000 5.308) 7.839 13.750 ( -1.579 0.000 2.178) 2.690 13.917 ( 3.184 0.000 1.690) 3.605 14.107 ( -6.439 0.000 5.995) 8.797 14.343 ( 5.530 0.000 0.557) 5.558 14.380 ( -6.234 0.000 -0.639) 6.266 15.517 ( -5.597 0.000 -1.804) 5.880 15.926 ( -0.094 0.000 -7.011) 7.011 16.182 ( 0.918 0.000 1.155) 1.476 16.460 ( -6.622 0.000 -1.347) 6.758 18.362 ( 0.451 0.000 0.733) 0.861 18.614 ( 6.514 0.000 9.906) 11.856 19.084 ( 5.571 0.000 -14.140) 15.198 20.162 ( 16.436 0.000 -2.584) 16.638 ======================= Grid point 167 (76/205) ======================= q-point: (-0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( -26.476 0.000 11.487) 28.861 1.892 ( -23.355 0.000 -2.769) 23.519 2.996 ( 6.876 0.000 -11.438) 13.346 3.054 ( 12.644 0.000 -9.094) 15.575 3.379 ( 5.728 0.000 21.120) 21.883 3.623 ( 16.558 0.000 3.470) 16.918 3.656 ( -22.282 0.000 -13.111) 25.853 3.816 ( -25.780 0.000 10.115) 27.693 4.289 ( -13.487 0.000 3.988) 14.064 4.756 ( 3.177 0.000 -0.462) 3.210 5.125 ( -5.999 0.000 -9.184) 10.970 5.320 ( 10.837 0.000 -15.666) 19.049 6.220 ( 2.343 0.000 -2.543) 3.458 6.326 ( 3.285 0.000 3.937) 5.128 7.042 ( -0.546 0.000 -0.745) 0.924 7.303 ( -6.724 0.000 4.373) 8.021 7.563 ( -3.235 0.000 -2.583) 4.140 7.595 ( 4.165 0.000 1.902) 4.579 7.914 ( -1.046 0.000 7.383) 7.456 8.349 ( 3.327 0.000 -4.188) 5.349 8.721 ( -14.067 0.000 8.247) 16.306 9.011 ( 4.651 0.000 15.723) 16.397 9.208 ( 7.018 0.000 5.256) 8.769 9.629 ( -14.658 0.000 -0.147) 14.658 9.735 ( 2.141 0.000 -7.606) 7.902 10.194 ( 27.967 0.000 -0.275) 27.968 10.198 ( -3.026 0.000 -6.712) 7.363 10.705 ( 1.696 0.000 3.918) 4.270 11.063 ( 0.382 0.000 1.864) 1.903 11.371 ( 6.261 0.000 8.439) 10.508 11.950 ( -9.869 0.000 -2.033) 10.076 12.052 ( 3.588 0.000 1.918) 4.068 12.243 ( 11.406 0.000 -4.902) 12.415 12.486 ( -6.629 0.000 -4.970) 8.285 13.498 ( -4.719 0.000 7.533) 8.889 13.727 ( -3.753 0.000 2.072) 4.287 14.007 ( 0.237 0.000 5.093) 5.098 14.165 ( 9.119 0.000 4.688) 10.253 14.270 ( -4.491 0.000 -3.773) 5.866 14.460 ( 6.364 0.000 0.264) 6.370 15.245 ( -20.640 0.000 -2.733) 20.820 15.853 ( -0.293 0.000 -6.438) 6.444 16.257 ( 6.365 0.000 1.381) 6.513 16.437 ( 4.650 0.000 -2.045) 5.080 18.366 ( -1.359 0.000 1.539) 2.054 18.808 ( 1.611 0.000 13.117) 13.216 18.981 ( -1.257 0.000 -13.125) 13.185 20.370 ( 13.037 0.000 -7.307) 14.945 ======================= Grid point 168 (77/205) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( -25.420 0.000 16.642) 30.383 1.471 ( -26.059 0.000 3.538) 26.298 2.902 ( -36.632 0.000 -8.139) 37.525 2.947 ( 2.817 0.000 -10.282) 10.661 3.184 ( 1.091 0.000 -5.187) 5.300 3.522 ( -18.178 0.000 3.957) 18.604 3.691 ( 3.032 0.000 18.328) 18.577 3.845 ( -3.623 0.000 2.118) 4.197 4.113 ( -1.766 0.000 0.337) 1.798 4.791 ( 1.391 0.000 1.369) 1.952 4.922 ( -5.284 0.000 -8.224) 9.775 5.352 ( 9.052 0.000 -11.874) 14.931 6.245 ( 2.548 0.000 -0.426) 2.583 6.415 ( 3.716 0.000 0.978) 3.843 7.033 ( -2.047 0.000 3.651) 4.185 7.255 ( -4.500 0.000 4.437) 6.319 7.559 ( 5.385 0.000 -2.130) 5.791 7.660 ( 1.462 0.000 0.120) 1.467 7.986 ( 1.491 0.000 7.800) 7.942 8.348 ( 1.737 0.000 -5.511) 5.778 8.506 ( -13.650 0.000 0.321) 13.654 9.187 ( -13.775 0.000 -2.468) 13.994 9.274 ( 10.618 0.000 4.695) 11.610 9.559 ( 10.475 0.000 -1.382) 10.566 9.814 ( 4.352 0.000 6.317) 7.671 10.070 ( -8.217 0.000 6.614) 10.549 10.661 ( 24.723 0.000 -8.516) 26.149 10.738 ( 2.154 0.000 3.548) 4.151 11.059 ( -0.490 0.000 -2.449) 2.498 11.463 ( -6.660 0.000 1.834) 6.908 11.916 ( 8.169 0.000 10.516) 13.316 12.126 ( 1.385 0.000 2.636) 2.978 12.363 ( 0.830 0.000 -4.987) 5.056 12.434 ( 13.731 0.000 -1.666) 13.831 13.483 ( -5.502 0.000 10.175) 11.567 13.657 ( -7.497 0.000 2.352) 7.858 13.990 ( -6.375 0.000 4.319) 7.700 14.068 ( -12.143 0.000 -13.443) 18.116 14.447 ( 14.765 0.000 4.357) 15.395 14.538 ( 3.718 0.000 -2.530) 4.497 14.918 ( -16.687 0.000 9.099) 19.007 15.784 ( -0.490 0.000 -6.190) 6.209 16.430 ( 11.729 0.000 2.383) 11.969 16.531 ( 8.951 0.000 -3.475) 9.602 18.350 ( -2.348 0.000 1.668) 2.880 18.783 ( -7.059 0.000 -11.236) 13.270 18.912 ( -5.261 0.000 12.885) 13.917 20.405 ( 5.856 0.000 -21.853) 22.624 ======================= Grid point 169 (78/205) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( -25.824 0.000 11.037) 28.083 1.213 ( -23.723 0.000 17.672) 29.582 2.153 ( -46.868 0.000 12.485) 48.503 2.933 ( 3.612 0.000 -2.179) 4.219 3.174 ( -2.330 0.000 0.111) 2.332 3.266 ( -11.236 0.000 -3.334) 11.720 3.565 ( -21.015 0.000 -0.975) 21.037 3.860 ( 0.150 0.000 9.324) 9.325 4.205 ( 7.289 0.000 -3.911) 8.272 4.810 ( 0.910 0.000 -7.367) 7.423 4.853 ( 1.759 0.000 5.692) 5.957 5.398 ( 8.232 0.000 -7.474) 11.118 6.307 ( 4.077 0.000 1.606) 4.382 6.456 ( 2.888 0.000 -4.556) 5.394 7.060 ( -2.049 0.000 9.383) 9.605 7.229 ( -3.532 0.000 3.537) 4.998 7.662 ( -2.591 0.000 3.422) 4.292 7.693 ( 10.736 0.000 0.697) 10.759 8.061 ( 1.758 0.000 -2.843) 3.342 8.269 ( -3.314 0.000 -8.210) 8.854 8.377 ( -5.759 0.000 14.295) 15.411 8.926 ( -10.304 0.000 -3.446) 10.865 9.318 ( 0.284 0.000 -17.917) 17.919 9.707 ( 9.710 0.000 -10.001) 13.939 9.919 ( -0.703 0.000 15.446) 15.462 10.209 ( 3.536 0.000 19.820) 20.133 10.631 ( -3.212 0.000 -5.778) 6.611 11.021 ( 0.878 0.000 -2.321) 2.482 11.029 ( 19.649 0.000 -10.633) 22.341 11.319 ( -6.844 0.000 -0.866) 6.899 12.090 ( -4.319 0.000 -3.277) 5.421 12.328 ( 19.966 0.000 15.951) 25.555 12.553 ( 21.134 0.000 6.510) 22.114 12.643 ( 11.020 0.000 -3.775) 11.649 13.455 ( -17.851 0.000 -5.333) 18.631 13.584 ( 3.832 0.000 16.834) 17.265 13.674 ( -13.803 0.000 -3.941) 14.355 13.903 ( -7.969 0.000 4.224) 9.020 14.563 ( 1.727 0.000 -0.081) 1.729 14.689 ( 9.346 0.000 1.481) 9.463 14.862 ( -6.628 0.000 13.101) 14.682 15.700 ( -2.561 0.000 -6.039) 6.559 16.657 ( 10.062 0.000 -3.976) 10.819 16.689 ( 14.318 0.000 2.937) 14.616 18.323 ( -2.190 0.000 0.926) 2.378 18.535 ( -9.400 0.000 -8.172) 12.456 18.888 ( -11.131 0.000 10.375) 15.216 19.982 ( -19.454 0.000 -47.907) 51.706 ======================= Grid point 170 (79/205) ======================= q-point: (-0.11 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -18.523 0.000 18.905) 26.467 0.934 ( -25.649 0.000 16.725) 30.620 1.763 ( -28.056 0.000 40.658) 49.399 3.008 ( -11.301 0.000 -1.364) 11.383 3.022 ( 4.164 0.000 4.226) 5.933 3.167 ( -0.030 0.000 -5.520) 5.520 3.239 ( -13.216 0.000 -1.453) 13.296 3.905 ( -2.251 0.000 5.021) 5.502 4.246 ( 3.590 0.000 -5.408) 6.491 4.766 ( 2.716 0.000 -8.630) 9.047 4.946 ( 0.306 0.000 7.777) 7.783 5.481 ( 8.073 0.000 -4.282) 9.138 6.399 ( 4.342 0.000 1.090) 4.476 6.421 ( 1.411 0.000 -9.174) 9.282 7.159 ( -0.985 0.000 14.540) 14.573 7.201 ( -2.077 0.000 0.165) 2.083 7.629 ( -5.905 0.000 4.090) 7.183 7.882 ( 4.203 0.000 1.690) 4.530 8.137 ( 3.125 0.000 -5.514) 6.338 8.168 ( 12.202 0.000 6.967) 14.050 8.492 ( -5.327 0.000 16.177) 17.031 8.796 ( -1.532 0.000 -2.689) 3.095 9.100 ( -0.937 0.000 -11.868) 11.905 9.622 ( -2.726 0.000 -17.832) 18.040 10.091 ( 1.554 0.000 14.121) 14.206 10.371 ( 3.774 0.000 -1.597) 4.098 10.543 ( 3.096 0.000 -10.536) 10.981 11.075 ( -3.737 0.000 -8.537) 9.319 11.093 ( 4.284 0.000 4.244) 6.031 11.278 ( 8.475 0.000 -9.810) 12.963 11.960 ( -3.314 0.000 -8.130) 8.779 12.477 ( -18.095 0.000 -16.854) 24.728 12.821 ( 19.710 0.000 10.802) 22.476 13.025 ( 21.431 0.000 0.799) 21.446 13.283 ( -2.556 0.000 7.003) 7.454 13.548 ( -0.581 0.000 6.469) 6.495 13.729 ( -7.545 0.000 0.551) 7.565 14.101 ( 16.672 0.000 11.955) 20.515 14.602 ( 1.350 0.000 2.537) 2.874 14.801 ( 5.241 0.000 0.335) 5.252 14.886 ( -6.286 0.000 11.931) 13.485 15.610 ( 2.343 0.000 -0.129) 2.346 16.788 ( 9.423 0.000 -3.184) 9.947 16.894 ( 4.643 0.000 -0.016) 4.643 18.296 ( -1.092 0.000 -0.633) 1.262 18.371 ( -0.971 0.000 -1.618) 1.887 18.757 ( -14.054 0.000 6.973) 15.689 18.816 ( -50.763 0.000 -33.862) 61.020 ======================= Grid point 171 (80/205) ======================= q-point: ( 0.00 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 2.978 16.197 19.887) 25.820 1.182 ( 1.085 17.601 19.767) 26.490 2.100 ( -5.204 15.688 39.042) 42.397 2.957 ( -0.381 -4.352 -6.074) 7.481 3.027 ( -2.270 11.161 -3.596) 11.944 3.149 ( 0.496 7.243 -2.043) 7.542 3.203 ( 0.938 -0.484 5.211) 5.317 3.892 ( -1.793 -3.347 7.020) 7.981 4.218 ( 0.056 -0.616 -5.246) 5.282 4.748 ( 4.136 0.923 -7.292) 8.434 4.940 ( -2.109 -5.026 7.129) 8.974 5.527 ( 6.378 -3.790 -4.487) 8.670 6.314 ( 0.511 -1.153 -7.411) 7.517 6.488 ( 1.688 2.537 -3.724) 4.812 6.999 ( -1.944 -10.166 2.921) 10.755 7.342 ( -0.562 2.162 1.249) 2.559 7.535 ( -0.798 -2.204 6.623) 7.026 7.913 ( -5.800 7.275 -4.070) 10.155 8.187 ( 2.629 -9.263 7.984) 12.508 8.380 ( 1.873 -1.267 6.012) 6.423 8.638 ( -0.488 10.616 -1.263) 10.702 8.868 ( -0.006 4.596 3.599) 5.837 9.193 ( 8.105 1.521 -3.525) 8.969 9.388 ( -3.929 1.218 -1.602) 4.414 10.027 ( 1.358 -20.367 -17.403) 26.824 10.253 ( 7.684 2.064 7.934) 11.236 10.619 ( -1.301 4.419 -15.259) 15.939 10.882 ( -4.241 2.438 0.613) 4.931 11.237 ( 9.385 5.309 -1.431) 10.877 11.385 ( -3.373 10.737 -10.584) 15.449 11.826 ( -2.672 -3.006 -6.036) 7.253 12.036 ( -12.761 2.843 -6.760) 14.718 12.688 ( -10.816 -33.548 15.713) 38.592 13.033 ( -9.017 -13.879 2.918) 16.807 13.126 ( -3.108 -20.462 4.322) 21.143 13.330 ( 7.198 -8.304 0.896) 11.026 13.680 ( -12.208 -7.157 4.785) 14.939 14.005 ( 7.995 7.098 0.450) 10.700 14.411 ( 8.714 -4.910 7.384) 12.433 14.704 ( -4.514 -3.286 4.019) 6.880 15.087 ( -2.240 15.513 10.563) 18.901 16.429 ( 3.119 16.588 -18.415) 24.980 16.839 ( -6.942 1.093 -0.551) 7.050 17.051 ( 1.065 13.341 -3.538) 13.843 18.243 ( 5.754 -2.714 -0.677) 6.398 18.361 ( -1.682 4.159 -4.200) 6.145 18.575 ( 5.739 6.153 0.284) 8.419 18.815 ( 9.600 15.245 -6.542) 19.166 ======================= Grid point 172 (81/205) ======================= q-point: ( 0.11 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 9.785 11.991 20.274) 25.506 1.522 ( 11.891 11.401 19.111) 25.231 2.497 ( 6.124 10.903 21.314) 24.712 2.863 ( -3.279 -2.617 -1.014) 4.316 3.022 ( 7.528 5.981 -2.477) 9.929 3.208 ( 5.299 7.503 -2.287) 9.466 3.282 ( 7.984 4.878 -0.347) 9.363 3.974 ( 0.723 -4.552 10.285) 11.271 4.192 ( -0.398 -1.018 3.410) 3.580 4.776 ( 6.977 0.016 -6.852) 9.780 4.934 ( -4.177 -1.304 2.510) 5.045 5.567 ( 4.509 -3.278 -5.869) 8.094 6.242 ( -0.347 0.488 -5.825) 5.856 6.463 ( 0.909 1.358 -6.048) 6.265 7.008 ( 1.589 -9.000 1.468) 9.257 7.315 ( -1.524 0.664 -3.598) 3.963 7.581 ( -0.953 4.516 2.870) 5.435 7.829 ( -0.154 1.589 0.759) 1.768 8.217 ( -11.008 -6.814 14.267) 19.265 8.332 ( -6.203 -4.547 -6.100) 9.817 8.625 ( 0.053 9.004 -1.979) 9.219 9.009 ( 2.540 2.562 13.997) 14.455 9.185 ( 0.169 3.566 -1.807) 4.002 9.452 ( 0.633 -2.496 5.726) 6.278 9.849 ( 2.829 -15.254 -20.261) 25.519 10.361 ( -2.762 7.780 -7.026) 10.841 10.487 ( 6.099 -1.408 -0.147) 6.261 10.834 ( -5.137 3.731 4.999) 8.081 11.127 ( -9.095 8.860 -14.168) 19.024 11.389 ( 11.098 3.333 -4.728) 12.515 11.662 ( -15.036 2.831 -2.800) 15.555 11.892 ( 1.985 5.072 -3.157) 6.295 12.609 ( -12.131 -26.128 14.290) 32.157 12.800 ( -15.563 -11.160 1.368) 19.199 13.118 ( -3.424 -16.649 3.942) 17.449 13.442 ( 6.550 -6.788 -1.050) 9.491 13.641 ( 0.563 2.129 2.768) 3.537 14.159 ( 8.367 -3.654 -2.957) 9.597 14.586 ( 2.912 -9.164 5.225) 10.944 14.631 ( -6.032 -1.354 1.442) 6.349 15.165 ( -2.043 18.899 13.215) 23.152 16.246 ( -2.694 13.281 -12.413) 18.378 16.646 ( -12.310 4.125 -1.345) 13.053 17.018 ( -3.789 6.231 1.122) 7.379 18.301 ( 2.170 1.144 -2.842) 3.754 18.335 ( -0.867 -2.658 -0.485) 2.838 18.700 ( 14.983 7.007 -4.431) 17.124 19.164 ( 30.654 3.253 -9.608) 32.289 ======================= Grid point 173 (82/205) ======================= q-point: ( 0.22 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 17.654 5.825 16.627) 24.941 1.956 ( 14.335 5.425 22.450) 27.183 2.538 ( -8.196 2.473 2.286) 8.861 2.875 ( 3.318 9.234 -0.905) 9.854 3.038 ( -5.131 1.577 -11.726) 12.896 3.252 ( 12.527 1.587 -7.729) 14.805 3.682 ( 24.757 9.379 13.542) 29.736 4.096 ( -1.063 -5.765 12.438) 13.750 4.284 ( 1.376 -0.489 11.087) 11.183 4.765 ( -3.656 -2.210 -5.873) 7.262 4.927 ( 8.954 4.233 -6.185) 11.676 5.566 ( 3.559 -1.137 -7.846) 8.691 6.197 ( 0.161 0.965 -2.381) 2.574 6.395 ( -0.010 2.091 -8.671) 8.920 7.085 ( 2.347 -6.930 2.472) 7.723 7.256 ( 3.059 -1.127 -4.836) 5.832 7.572 ( -0.319 6.298 1.079) 6.398 7.889 ( -2.459 -2.517 6.619) 7.496 8.052 ( -7.727 -4.003 -4.260) 9.689 8.269 ( -5.636 -2.353 10.369) 12.034 8.523 ( -11.071 7.571 0.366) 13.417 9.081 ( -4.971 13.748 11.603) 18.665 9.261 ( 2.411 -5.986 1.234) 6.570 9.396 ( -6.979 -7.339 -0.172) 10.130 9.827 ( 5.395 -4.253 0.026) 6.869 10.286 ( 2.770 1.107 -7.298) 7.884 10.559 ( 3.511 3.993 -7.633) 9.302 10.841 ( -2.574 0.898 -9.576) 9.956 10.856 ( -4.959 1.176 9.481) 10.764 11.281 ( -21.228 0.178 -5.268) 21.873 11.541 ( 11.855 0.972 -6.361) 13.489 11.950 ( 3.980 8.388 1.811) 9.459 12.569 ( -9.076 -7.449 2.980) 12.114 12.646 ( -1.831 -13.991 6.036) 15.347 13.058 ( -7.478 -17.205 2.891) 18.981 13.548 ( 6.977 -9.769 -0.311) 12.009 13.696 ( 2.127 1.146 1.532) 2.861 14.197 ( 0.262 -7.978 -2.755) 8.444 14.497 ( -6.698 1.826 -0.829) 6.991 14.652 ( -2.981 -2.233 4.022) 5.482 15.300 ( 3.370 12.799 10.032) 16.608 16.125 ( 0.316 7.634 -7.375) 10.619 16.440 ( -10.119 6.924 -0.417) 12.269 16.912 ( -10.556 3.782 1.187) 11.275 18.314 ( -0.044 -0.617 0.403) 0.738 18.329 ( 4.797 1.304 -2.466) 5.550 18.932 ( 17.503 2.825 -8.532) 19.675 19.542 ( 24.169 -1.241 -7.743) 25.410 ======================= Grid point 174 (83/205) ======================= q-point: ( 0.33 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.255 ( 5.476 -0.543 10.476) 11.833 2.407 ( 5.750 1.443 12.604) 13.928 2.472 ( 8.501 3.124 15.925) 18.321 2.722 ( -12.400 0.959 -11.736) 17.100 2.993 ( 9.009 12.385 -1.206) 15.363 3.354 ( 11.385 2.787 -12.856) 17.397 4.128 ( 3.142 -3.929 5.347) 7.341 4.146 ( -2.303 -3.056 10.885) 11.538 4.440 ( 5.380 3.578 10.430) 12.269 4.614 ( -3.363 1.819 -7.006) 7.981 5.068 ( 14.986 4.020 -8.881) 17.878 5.530 ( 2.538 2.286 -9.735) 10.317 6.204 ( 1.569 1.183 0.709) 2.089 6.305 ( 0.122 2.708 -8.044) 8.489 7.064 ( -0.558 -3.792 -4.763) 6.113 7.353 ( 3.181 -2.364 5.192) 6.532 7.641 ( 3.476 3.479 3.659) 6.130 7.740 ( -9.864 -1.613 0.336) 10.001 8.009 ( -5.391 5.379 2.566) 8.036 8.299 ( -1.011 0.320 -1.164) 1.575 8.362 ( -4.941 0.997 11.529) 12.582 9.092 ( -7.185 7.120 11.244) 15.125 9.223 ( -14.290 -10.587 8.502) 19.712 9.397 ( 11.738 5.684 -0.287) 13.045 9.882 ( -4.197 -4.175 2.951) 6.614 10.245 ( 1.968 4.393 -11.777) 12.723 10.446 ( -1.436 6.582 -11.945) 13.714 10.739 ( -6.596 -5.273 5.900) 10.302 10.916 ( -7.692 -5.409 -8.897) 12.945 11.005 ( 4.976 0.381 9.492) 10.724 11.685 ( 12.908 -5.720 -6.786) 15.665 12.032 ( 2.190 10.063 2.508) 10.600 12.420 ( -8.762 -5.446 -0.413) 10.325 12.729 ( 1.984 -4.560 4.018) 6.394 12.948 ( -6.807 -23.427 1.989) 24.477 13.657 ( 3.991 -12.444 1.539) 13.159 13.735 ( 2.350 -1.953 0.249) 3.066 14.154 ( -2.940 -5.051 0.955) 5.922 14.403 ( -3.237 2.275 -1.101) 4.107 14.604 ( -5.484 7.373 2.734) 9.587 15.435 ( 3.239 2.260 3.282) 5.135 16.101 ( 3.473 7.255 -4.471) 9.202 16.299 ( -6.426 7.708 0.185) 10.037 16.694 ( -14.421 3.068 -0.549) 14.754 18.338 ( 1.845 0.002 0.087) 1.847 18.431 ( 6.907 0.919 3.134) 7.640 19.083 ( 11.980 1.646 -11.761) 16.869 19.847 ( 18.854 -3.222 -3.776) 19.497 ======================= Grid point 175 (84/205) ======================= q-point: (-0.56 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -20.025 5.179 8.656) 22.422 2.335 ( -17.805 2.241 -7.198) 19.335 2.715 ( 17.082 -5.671 -3.645) 18.364 2.884 ( 10.485 -0.344 16.643) 19.674 3.193 ( 10.965 11.382 4.555) 16.448 3.417 ( 11.044 2.014 -7.474) 13.486 3.985 ( -15.446 -3.570 2.500) 16.049 4.099 ( -12.158 -5.356 -2.055) 13.444 4.498 ( -7.023 6.502 2.594) 9.916 4.669 ( 8.705 1.632 0.504) 8.871 5.210 ( 11.652 3.602 -10.011) 15.779 5.448 ( 0.617 5.975 -11.947) 13.372 6.238 ( 2.513 1.433 -4.628) 5.458 6.271 ( 1.110 3.018 2.828) 4.283 7.014 ( -0.764 -4.231 -2.897) 5.184 7.411 ( -2.920 -1.007 4.732) 5.651 7.561 ( -3.360 5.689 0.640) 6.638 7.819 ( 1.838 0.837 5.667) 6.016 7.845 ( -8.751 9.579 -0.837) 13.001 8.296 ( 3.975 -3.389 -2.937) 5.993 8.559 ( 5.898 -1.499 16.502) 17.588 9.018 ( -17.783 -2.053 9.349) 20.195 9.132 ( -1.844 1.918 11.289) 11.598 9.691 ( 12.287 4.944 4.716) 14.058 9.747 ( -1.811 -5.184 -4.720) 7.241 10.079 ( -6.676 4.075 -10.839) 13.366 10.364 ( 3.505 6.963 -9.547) 12.325 10.648 ( -4.842 -1.038 5.032) 7.060 10.890 ( 2.047 -9.667 0.829) 9.916 11.195 ( 7.557 -0.708 6.570) 10.038 11.831 ( 10.355 -13.331 -5.815) 17.854 12.042 ( -2.248 4.025 -0.268) 4.617 12.285 ( -5.809 3.439 -0.212) 6.754 12.694 ( -5.488 2.785 -3.581) 7.120 12.945 ( -0.183 -34.057 7.052) 34.780 13.701 ( 0.380 -11.156 1.775) 11.303 13.825 ( 6.988 -4.421 1.657) 8.433 14.139 ( -1.901 0.359 3.752) 4.222 14.343 ( -3.004 -1.061 -1.309) 3.445 14.549 ( -2.703 10.604 0.842) 10.975 15.450 ( -3.485 -0.061 -0.474) 3.517 16.114 ( 1.440 12.484 -5.354) 13.659 16.234 ( -0.338 4.090 0.620) 4.150 16.470 ( -8.598 1.604 -1.093) 8.815 18.364 ( 0.534 0.268 0.757) 0.964 18.608 ( 6.006 -0.744 8.149) 10.151 19.107 ( 5.323 2.452 -11.882) 13.248 20.107 ( 15.236 -5.139 -2.816) 16.324 ======================= Grid point 176 (85/205) ======================= q-point: (-0.44 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( -23.704 7.035 6.720) 25.623 1.957 ( -21.704 6.108 0.275) 22.549 2.886 ( 9.876 -7.224 -9.013) 15.197 3.072 ( 6.434 -1.599 -5.783) 8.798 3.418 ( 4.336 2.873 10.916) 12.092 3.640 ( 2.988 2.306 0.771) 3.852 3.677 ( -6.173 1.338 -4.812) 7.940 3.803 ( -22.693 -0.868 9.778) 24.725 4.354 ( -12.820 6.020 2.512) 14.384 4.751 ( 2.508 -0.316 -1.798) 3.102 5.204 ( -3.679 6.933 -7.364) 10.763 5.351 ( 6.905 3.464 -15.689) 17.488 6.236 ( 2.107 1.431 -2.767) 3.761 6.347 ( 2.578 2.258 4.091) 5.336 6.976 ( -2.214 -5.404 0.325) 5.850 7.364 ( -4.849 3.621 2.643) 6.604 7.604 ( 4.528 5.966 0.690) 7.521 7.699 ( -2.858 8.906 -2.007) 9.567 7.921 ( -0.005 1.037 7.569) 7.640 8.330 ( 2.668 -2.794 -2.916) 4.841 8.764 ( -5.531 1.237 9.717) 11.249 8.851 ( -4.145 -5.441 6.853) 9.683 9.248 ( 0.800 -2.705 8.533) 8.987 9.653 ( 1.420 2.697 5.161) 5.994 9.742 ( -8.108 1.204 -9.081) 12.233 10.202 ( 20.562 2.658 -0.689) 20.744 10.318 ( 4.920 9.566 -6.732) 12.690 10.679 ( 1.064 -2.354 3.418) 4.284 10.917 ( -1.005 -11.790 3.295) 12.283 11.389 ( 6.763 0.247 5.946) 9.008 11.824 ( -3.728 -11.415 -2.729) 12.315 12.077 ( 8.212 -5.271 -1.112) 9.822 12.216 ( -3.198 5.981 0.643) 6.813 12.556 ( -2.839 3.381 -7.164) 8.415 13.011 ( -2.310 -31.532 9.465) 33.002 13.710 ( -0.905 -12.254 -0.276) 12.291 13.975 ( 2.343 -3.444 4.861) 6.401 14.147 ( -0.013 0.352 2.772) 2.794 14.284 ( -0.229 -0.720 -2.829) 2.928 14.520 ( -0.536 4.321 -1.630) 4.649 15.312 ( -12.361 8.995 1.915) 15.407 16.049 ( 0.429 14.795 -5.725) 15.870 16.298 ( 5.878 3.394 0.467) 6.804 16.419 ( 3.415 -1.449 -1.549) 4.020 18.368 ( -1.409 0.306 1.566) 2.129 18.753 ( 0.464 -4.385 6.523) 7.873 19.046 ( -0.374 5.499 -6.510) 8.530 20.290 ( 11.230 -7.340 -6.880) 15.077 ======================= Grid point 177 (86/205) ======================= q-point: (-0.33 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -22.786 6.437 6.605) 24.582 1.613 ( -23.751 10.638 8.433) 27.357 2.868 ( -2.895 -3.804 -9.859) 10.957 2.997 ( -21.671 4.137 -4.344) 22.486 3.155 ( -2.704 -2.295 -6.417) 7.332 3.521 ( -16.516 0.311 3.761) 16.942 3.718 ( 1.295 2.556 16.758) 17.001 3.880 ( 0.151 3.105 2.274) 3.851 4.170 ( -5.314 5.144 0.682) 7.427 4.754 ( -0.275 -3.007 0.259) 3.031 5.020 ( -6.353 8.772 -7.354) 13.091 5.339 ( 7.708 -0.834 -12.401) 14.625 6.252 ( 1.993 0.638 -0.585) 2.173 6.426 ( 3.134 1.398 1.398) 3.706 6.952 ( -2.991 -6.242 3.976) 7.982 7.325 ( -3.277 4.710 3.155) 6.548 7.623 ( -0.135 4.977 -3.303) 5.975 7.736 ( 5.314 8.318 2.382) 10.154 8.009 ( 2.106 2.488 6.890) 7.622 8.283 ( -4.151 -4.484 -6.158) 8.676 8.645 ( -6.645 10.378 0.572) 12.336 8.977 ( 7.667 -16.124 2.190) 17.988 9.230 ( -10.528 2.651 2.366) 11.111 9.616 ( 2.419 -5.066 1.209) 5.743 9.885 ( 8.843 3.052 14.747) 17.464 10.110 ( -7.245 9.281 -10.498) 15.775 10.647 ( 14.976 -1.985 -7.783) 16.994 10.733 ( 7.408 -0.401 2.838) 7.943 10.941 ( 0.643 -10.418 2.352) 10.700 11.460 ( -0.737 1.290 -0.845) 1.709 11.869 ( 6.080 -3.631 10.069) 12.310 12.172 ( -1.943 -2.604 -0.179) 3.254 12.259 ( 12.989 -4.319 1.899) 13.819 12.495 ( 3.443 3.345 -4.389) 6.505 13.062 ( -3.392 -25.839 10.661) 28.157 13.625 ( -7.688 -20.218 -6.402) 22.558 13.868 ( -12.895 3.447 1.379) 13.418 14.176 ( -1.784 0.986 -2.680) 3.367 14.320 ( 4.713 -4.681 -0.379) 6.654 14.540 ( 4.576 -0.206 2.248) 5.102 15.133 ( -12.895 17.170 7.375) 22.704 16.056 ( 6.791 20.004 -4.770) 21.657 16.447 ( 10.738 1.662 1.953) 11.040 16.509 ( 8.756 -2.094 -2.747) 9.412 18.350 ( -2.673 0.070 1.709) 3.174 18.704 ( -6.827 -5.517 -4.384) 9.812 19.002 ( -4.997 6.642 5.675) 10.064 20.304 ( 3.537 -9.039 -18.791) 21.150 ======================= Grid point 178 (87/205) ======================= q-point: (-0.22 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -20.642 9.662 10.001) 24.889 1.317 ( -23.302 9.366 12.306) 27.967 2.354 ( -38.865 18.048 12.195) 44.552 2.891 ( 2.291 -3.989 -1.053) 4.719 3.139 ( 1.681 -4.647 -3.682) 6.162 3.283 ( -12.350 3.343 -0.833) 12.822 3.662 ( -19.444 8.484 0.001) 21.214 3.858 ( -0.933 -0.164 8.984) 9.034 4.220 ( 6.375 1.261 -3.874) 7.565 4.776 ( 0.770 -4.996 3.831) 6.343 4.882 ( -2.004 4.718 -5.844) 7.773 5.369 ( 8.064 -2.549 -7.904) 11.576 6.296 ( 2.714 -0.850 0.963) 3.003 6.476 ( 3.644 2.042 -2.886) 5.077 6.957 ( -3.242 -7.294 7.552) 10.988 7.314 ( -2.296 5.074 4.054) 6.889 7.571 ( -2.925 -2.806 -0.829) 4.137 7.887 ( 5.885 11.880 5.144) 14.221 8.072 ( -0.479 0.415 -5.480) 5.516 8.154 ( 0.832 -2.460 1.723) 3.117 8.570 ( -4.886 9.991 2.615) 11.425 9.041 ( -8.461 9.373 -2.305) 12.836 9.114 ( 7.460 -12.329 -4.439) 15.078 9.753 ( 6.988 -8.420 4.848) 11.968 9.851 ( -10.677 0.653 -7.507) 13.068 10.162 ( 3.989 -1.448 14.361) 14.974 10.636 ( 0.896 -1.192 -7.490) 7.637 10.889 ( 9.466 -6.678 -7.748) 13.937 10.996 ( 3.664 -3.638 1.442) 5.361 11.465 ( 2.055 12.615 -1.028) 12.823 12.057 ( 0.028 -4.453 -1.066) 4.579 12.224 ( 10.921 -6.188 9.559) 15.778 12.544 ( 10.712 -9.272 0.736) 14.187 12.622 ( 14.748 1.939 6.982) 16.432 13.114 ( -3.659 -21.399 9.602) 23.738 13.268 ( -18.774 -23.214 -8.928) 31.162 13.745 ( -4.527 3.931 4.617) 7.567 14.077 ( -6.676 4.698 0.316) 8.169 14.343 ( -0.665 -5.078 -2.372) 5.645 14.667 ( 2.886 -4.252 5.058) 7.211 15.033 ( -7.956 16.709 8.077) 20.192 16.183 ( 14.019 27.416 -5.203) 31.228 16.646 ( 10.129 -0.474 -1.946) 10.325 16.701 ( 15.262 1.337 2.953) 15.602 18.312 ( -3.415 -0.846 0.970) 3.649 18.500 ( -8.997 -2.938 -5.814) 11.108 18.944 ( -10.030 5.093 6.995) 13.247 19.935 ( -15.651 -4.234 -38.064) 41.373 ======================= Grid point 179 (88/205) ======================= q-point: (-0.11 0.12 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -14.591 14.616 14.542) 25.258 1.127 ( -15.696 13.474 18.786) 27.944 2.007 ( -26.412 22.186 31.670) 46.827 2.959 ( 3.300 -4.910 1.671) 6.148 3.109 ( -5.082 5.788 -0.317) 7.708 3.125 ( -0.171 -1.856 -3.026) 3.554 3.344 ( -15.473 9.914 -1.039) 18.406 3.883 ( -3.124 -2.051 4.692) 5.998 4.250 ( 3.358 0.333 -5.989) 6.874 4.784 ( 1.789 1.830 -8.482) 8.859 4.875 ( -0.381 -6.404 8.377) 10.551 5.447 ( 8.199 -3.251 -4.933) 10.106 6.342 ( 2.408 -2.667 -2.169) 4.197 6.492 ( 2.969 4.087 -4.903) 7.040 6.987 ( -3.064 -9.417 8.013) 12.739 7.327 ( -0.996 4.782 3.731) 6.146 7.521 ( -3.583 -6.054 2.852) 7.591 7.978 ( 4.983 0.906 4.522) 6.790 8.052 ( -2.202 1.120 -1.243) 2.765 8.286 ( 8.209 6.495 2.182) 10.693 8.559 ( -0.914 6.654 9.195) 11.387 8.909 ( -4.606 7.963 -1.613) 9.340 9.138 ( 3.817 3.855 -7.152) 8.977 9.578 ( -6.525 -5.329 -13.712) 16.093 9.966 ( 6.853 -11.447 10.241) 16.818 10.222 ( -2.576 -6.721 -4.022) 8.246 10.642 ( 7.811 2.259 -6.326) 10.302 10.950 ( 1.133 -7.350 -1.932) 7.684 11.085 ( 7.822 3.979 -0.880) 8.819 11.469 ( 1.539 13.780 -4.877) 14.698 11.957 ( -3.371 -0.874 -8.111) 8.827 12.397 ( -13.979 -12.582 -6.554) 19.917 12.583 ( 6.498 -13.849 5.562) 16.278 12.985 ( 12.928 -7.059 8.899) 17.209 13.040 ( -1.252 -19.799 7.570) 21.234 13.208 ( 0.603 -21.062 5.860) 21.870 13.805 ( -0.655 -11.943 9.152) 15.060 13.981 ( -6.517 1.345 2.700) 7.181 14.262 ( -2.421 6.504 -0.223) 6.944 14.713 ( -2.971 -4.391 5.927) 7.952 15.029 ( -2.208 14.966 7.479) 16.876 16.395 ( 18.240 23.462 -12.248) 32.143 16.811 ( 8.691 1.889 0.780) 8.928 16.970 ( 12.931 8.942 -1.269) 15.772 18.246 ( -3.778 -2.871 -0.563) 4.778 18.362 ( -0.993 -1.014 -1.374) 1.975 18.780 ( -15.801 5.345 -0.652) 16.693 19.095 ( -27.488 17.722 -30.448) 44.685 ======================= Grid point 180 (89/205) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -3.082 14.842 17.973) 23.512 1.582 ( 4.665 21.228 17.537) 27.928 2.473 ( -3.855 12.917 14.975) 20.149 2.812 ( -0.074 -3.530 1.781) 3.955 3.086 ( 1.595 -6.793 9.778) 12.012 3.364 ( 2.788 16.674 -7.088) 18.331 3.409 ( -4.541 14.226 1.341) 14.994 3.802 ( -1.638 -5.282 5.019) 7.468 4.205 ( -0.351 -0.346 -6.493) 6.512 4.738 ( -0.416 -4.761 -0.247) 4.786 4.860 ( 3.907 0.743 2.252) 4.570 5.416 ( 6.416 -6.760 -4.785) 10.477 6.301 ( 1.178 0.276 -4.451) 4.613 6.547 ( 1.142 2.586 -5.919) 6.560 6.823 ( -2.421 -5.882 4.389) 7.727 7.374 ( -1.528 -0.714 -1.018) 1.970 7.480 ( 4.145 -0.901 5.654) 7.069 7.973 ( 3.528 -5.158 -2.618) 6.776 8.123 ( -3.694 7.194 3.479) 8.804 8.393 ( -3.637 2.393 3.636) 5.673 8.694 ( -5.730 -2.101 -1.468) 6.277 9.110 ( 1.070 11.987 -6.556) 13.704 9.203 ( 0.542 -5.376 3.205) 6.282 9.296 ( -1.860 -6.056 9.256) 11.217 9.654 ( -1.626 -10.739 -9.437) 14.388 10.330 ( 10.608 3.916 6.625) 13.105 10.671 ( -1.191 2.632 -11.028) 11.400 10.985 ( -0.420 6.988 2.544) 7.448 11.371 ( 8.332 6.297 -6.866) 12.498 11.642 ( -1.774 5.123 -2.701) 6.057 11.711 ( -7.938 -1.506 -0.996) 8.141 12.002 ( 0.868 -8.629 2.835) 9.124 12.236 ( -16.661 -5.533 0.627) 17.567 12.670 ( -2.170 -20.479 3.746) 20.931 12.709 ( -4.869 -15.855 3.910) 17.040 13.114 ( 9.578 -12.572 2.119) 15.946 13.621 ( -1.673 1.294 1.534) 2.613 14.091 ( 1.470 1.493 -5.968) 6.325 14.432 ( 1.944 3.163 3.524) 5.119 14.650 ( -1.970 -3.052 2.676) 4.512 15.450 ( -0.142 19.033 10.061) 21.529 16.515 ( 1.526 -2.865 -10.720) 11.200 16.884 ( -4.752 3.375 2.462) 6.327 17.236 ( -2.827 2.991 0.539) 4.151 18.212 ( 2.779 -0.142 0.557) 2.838 18.371 ( 2.699 -1.646 0.425) 3.190 18.788 ( 0.347 11.921 -6.344) 13.509 19.109 ( 7.195 10.967 -16.868) 21.368 ======================= Grid point 181 (90/205) ======================= q-point: ( 0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 3.369 11.193 22.361) 25.231 1.840 ( 6.715 18.044 14.094) 23.860 2.550 ( -1.533 -6.904 1.003) 7.143 2.975 ( 13.212 12.616 11.066) 21.358 3.144 ( -4.339 -2.265 0.987) 4.993 3.278 ( 0.482 10.821 -4.275) 11.644 3.542 ( 12.982 13.524 2.527) 18.916 3.867 ( 2.031 -5.190 5.590) 7.893 4.167 ( 0.463 -0.569 2.062) 2.188 4.743 ( 1.860 -3.808 -2.256) 4.801 4.944 ( 4.528 3.016 -0.240) 5.446 5.473 ( 6.270 -5.744 -5.136) 9.934 6.266 ( 0.619 2.056 -4.858) 5.312 6.510 ( 1.622 3.072 -6.160) 7.073 6.846 ( 1.593 -6.080 2.888) 6.917 7.293 ( -2.828 -3.533 -6.687) 8.074 7.652 ( 7.906 3.192 5.824) 10.325 7.916 ( -2.112 5.450 -7.613) 9.598 8.124 ( -9.623 -0.431 9.884) 13.802 8.252 ( -4.704 -2.060 -4.892) 7.092 8.701 ( 1.923 -1.774 -0.033) 2.616 9.054 ( -2.825 1.128 7.429) 8.028 9.263 ( -6.798 -14.119 2.509) 15.870 9.316 ( 4.740 1.217 2.207) 5.368 9.645 ( 5.093 2.240 -0.513) 5.587 10.446 ( -9.107 2.311 -7.860) 12.250 10.549 ( 7.482 4.390 4.063) 9.579 10.956 ( -7.845 7.219 7.329) 12.937 11.273 ( -10.766 5.538 -14.145) 18.619 11.483 ( 0.295 4.336 -5.707) 7.173 11.742 ( -10.961 4.288 -3.055) 12.160 11.979 ( 1.544 -4.257 0.720) 4.585 12.080 ( -0.409 -15.877 8.060) 17.810 12.581 ( -7.718 -7.690 3.063) 11.318 12.744 ( 0.781 -18.893 3.895) 19.306 13.236 ( 5.144 -12.714 -1.660) 13.815 13.644 ( 1.701 -0.013 1.272) 2.124 14.052 ( 1.101 -5.382 -6.161) 8.255 14.497 ( 0.586 -0.690 3.987) 4.088 14.624 ( -2.742 -0.879 1.237) 3.134 15.559 ( -0.232 18.477 10.476) 21.242 16.371 ( -3.987 0.109 -10.993) 11.694 16.769 ( -10.020 7.109 1.960) 12.442 17.146 ( -8.270 4.243 2.765) 9.697 18.271 ( 2.020 -0.626 1.083) 2.375 18.368 ( 0.129 1.771 -2.840) 3.350 18.849 ( 11.101 7.810 -4.783) 14.391 19.234 ( 22.105 2.679 -13.078) 25.823 ======================= Grid point 182 (91/205) ======================= q-point: ( 0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 9.113 7.581 21.459) 24.516 2.124 ( 10.616 10.926 13.775) 20.538 2.496 ( -5.705 -4.698 3.901) 8.357 3.003 ( -7.791 -0.705 -7.263) 10.675 3.212 ( 3.683 14.707 -3.577) 15.577 3.328 ( 13.755 6.355 -4.745) 15.878 3.856 ( 12.755 2.255 8.722) 15.615 3.968 ( 3.208 -3.658 6.377) 8.021 4.284 ( 6.199 1.961 8.894) 11.017 4.727 ( 0.219 -1.589 -4.764) 5.027 5.032 ( 9.535 6.037 -4.345) 12.093 5.529 ( 6.633 -2.526 -5.338) 8.881 6.237 ( 0.951 3.115 -2.907) 4.366 6.463 ( 0.729 4.479 -7.592) 8.845 6.943 ( 4.149 -6.670 4.075) 8.850 7.191 ( 1.951 -4.859 -8.243) 9.765 7.752 ( -1.585 8.855 -4.466) 10.044 7.868 ( 1.433 1.521 5.945) 6.301 7.970 ( -4.330 -1.440 -5.328) 7.015 8.255 ( -1.090 1.804 8.299) 8.562 8.652 ( -8.811 2.410 2.221) 9.401 9.059 ( -7.371 -9.976 5.028) 13.384 9.194 ( -3.084 -5.868 3.269) 7.391 9.454 ( 4.289 8.945 8.969) 13.374 9.746 ( 4.211 1.305 3.469) 5.610 10.293 ( -1.475 0.160 -3.085) 3.423 10.650 ( 5.224 3.063 -5.520) 8.194 10.899 ( -13.287 4.301 -5.199) 14.902 10.920 ( -8.534 5.986 5.282) 11.685 11.287 ( -23.411 0.006 -5.754) 24.108 11.478 ( 2.217 -8.158 -8.284) 11.836 12.116 ( 2.974 0.011 1.879) 3.518 12.196 ( 4.487 -17.029 8.781) 19.678 12.488 ( -5.175 -0.568 -0.099) 5.207 12.782 ( -0.788 -11.603 2.909) 11.988 13.295 ( 4.410 -14.484 -1.489) 15.213 13.670 ( 0.342 -2.025 -0.382) 2.089 14.015 ( 1.203 -8.309 -3.744) 9.193 14.494 ( -4.223 -0.837 1.563) 4.580 14.628 ( 1.163 -0.558 2.267) 2.608 15.625 ( -2.742 16.129 6.747) 17.697 16.221 ( -1.601 1.403 -6.975) 7.292 16.617 ( -9.670 9.409 2.029) 13.643 17.001 ( -12.324 3.793 2.446) 13.124 18.306 ( 1.797 0.363 0.414) 1.879 18.369 ( 3.599 1.907 -2.167) 4.613 19.013 ( 13.746 5.099 -6.881) 16.196 19.501 ( 20.601 -2.943 -8.247) 22.385 ======================= Grid point 183 (92/205) ======================= q-point: ( 0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 4.260 4.465 10.305) 12.012 2.433 ( 3.105 1.281 7.184) 7.930 2.518 ( 5.335 1.588 19.539) 20.316 2.744 ( -10.765 0.769 -10.684) 15.186 3.263 ( 5.760 11.749 1.117) 13.132 3.444 ( 10.028 6.281 -12.861) 17.476 3.981 ( -6.597 -8.573 10.203) 14.869 4.080 ( 1.602 -4.846 -1.595) 5.348 4.531 ( 12.791 4.995 3.455) 14.159 4.682 ( 0.873 4.169 -4.167) 5.959 5.184 ( 12.819 7.100 -4.908) 15.454 5.585 ( 6.147 2.432 -5.876) 8.845 6.250 ( 2.623 3.496 -0.632) 4.416 6.391 ( 0.212 5.554 -6.862) 8.831 6.971 ( -0.796 -5.022 -2.968) 5.888 7.253 ( 6.239 -7.288 1.819) 9.765 7.702 ( -0.174 1.330 0.617) 1.476 7.819 ( -3.564 10.186 -0.985) 10.836 8.025 ( 6.920 -2.114 0.076) 7.236 8.360 ( 1.168 5.323 8.772) 10.327 8.466 ( -13.428 8.256 3.880) 16.234 8.950 ( -10.344 -12.902 6.818) 17.887 9.197 ( -2.053 1.092 4.122) 4.733 9.619 ( 4.850 13.085 9.804) 17.054 9.806 ( -3.499 -2.062 3.664) 5.470 10.289 ( 2.339 -0.061 -6.201) 6.627 10.592 ( -8.783 3.767 -7.838) 12.360 10.667 ( 4.894 1.116 -4.479) 6.728 10.811 ( -15.575 -2.006 0.084) 15.704 11.018 ( -2.838 -0.415 7.576) 8.101 11.454 ( 4.885 -15.578 -9.297) 18.788 12.177 ( 0.244 -19.905 6.068) 20.810 12.221 ( -8.163 -6.034 0.210) 10.153 12.446 ( 0.294 4.476 0.560) 4.521 12.776 ( -1.638 -4.541 -0.003) 4.828 13.353 ( 2.726 -16.457 0.100) 16.681 13.670 ( 1.454 -2.818 -0.169) 3.176 14.030 ( 2.651 -6.582 -0.265) 7.101 14.424 ( -4.590 1.077 0.367) 4.728 14.666 ( 0.402 -0.610 1.160) 1.371 15.614 ( -3.184 12.580 2.675) 13.249 16.182 ( 2.371 0.443 -2.906) 3.776 16.488 ( -7.330 9.761 1.168) 12.262 16.779 ( -14.605 4.321 0.130) 15.232 18.346 ( 2.290 0.995 0.211) 2.506 18.450 ( 5.848 0.635 1.811) 6.155 19.144 ( 10.329 4.496 -8.539) 14.136 19.753 ( 16.402 -5.864 -4.365) 17.957 ======================= Grid point 184 (93/205) ======================= q-point: (-0.56 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -14.242 8.228 7.520) 18.086 2.390 ( -14.027 2.847 -5.156) 15.213 2.618 ( 10.824 -3.864 -5.521) 12.750 2.853 ( 5.069 -2.634 17.690) 18.590 3.423 ( 7.748 9.908 -1.218) 12.636 3.466 ( 9.075 2.623 -3.890) 10.216 3.887 ( -10.517 -5.532 1.454) 11.972 3.984 ( -9.638 -5.655 -1.004) 11.219 4.633 ( -2.025 6.171 -1.917) 6.772 4.728 ( 6.519 3.692 -2.219) 7.814 5.321 ( 9.319 7.033 -7.068) 13.648 5.596 ( 2.315 7.281 -7.673) 10.828 6.284 ( 2.603 3.291 -3.639) 5.554 6.365 ( 1.029 5.815 1.165) 6.019 6.917 ( -1.819 -4.617 -2.498) 5.555 7.341 ( 1.316 -6.152 2.704) 6.848 7.727 ( 1.209 7.946 2.206) 8.335 7.843 ( 4.340 4.695 3.342) 7.214 8.102 ( -1.847 10.464 -2.296) 10.871 8.223 ( -4.679 0.467 -0.534) 4.733 8.576 ( 2.193 2.970 14.578) 15.038 8.867 ( -8.464 -10.291 8.609) 15.864 9.205 ( -1.497 4.113 3.538) 5.628 9.706 ( -8.718 0.324 3.530) 9.411 9.869 ( 13.988 10.931 7.511) 19.276 10.107 ( -9.828 -0.501 -11.536) 15.163 10.520 ( 4.787 5.789 -3.879) 8.454 10.637 ( -4.650 -1.382 0.054) 4.851 10.716 ( -0.001 -2.350 0.840) 2.496 11.140 ( 6.555 -5.497 9.250) 12.600 11.449 ( 4.684 -20.460 -8.229) 22.545 12.013 ( -11.723 -17.637 -1.822) 21.256 12.283 ( 3.792 -17.055 6.442) 18.621 12.436 ( -1.506 7.350 -0.840) 7.550 12.715 ( -3.999 -0.704 -2.723) 4.889 13.382 ( 0.858 -17.917 -0.752) 17.953 13.747 ( 5.648 -2.719 3.165) 7.023 14.082 ( 2.269 -5.088 1.589) 5.793 14.347 ( -4.528 1.583 -0.451) 4.818 14.651 ( -2.146 0.434 -1.327) 2.561 15.597 ( -2.008 11.904 2.811) 12.396 16.226 ( 5.184 -1.363 -1.495) 5.565 16.389 ( -4.343 9.713 -1.402) 10.732 16.545 ( -10.671 4.991 -1.345) 11.857 18.378 ( 0.633 1.180 0.811) 1.566 18.579 ( 4.430 -2.039 4.529) 6.655 19.193 ( 5.211 6.015 -7.317) 10.810 19.963 ( 12.439 -8.570 -3.276) 15.456 ======================= Grid point 185 (94/205) ======================= q-point: (-0.44 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.999 ( -17.047 8.810 -4.047) 19.611 2.128 ( -18.555 10.163 6.628) 22.170 2.725 ( 8.478 -8.373 -7.501) 14.080 2.982 ( 1.025 -6.631 -1.114) 6.801 3.462 ( -0.900 1.599 -1.725) 2.518 3.690 ( 3.703 -0.323 0.962) 3.840 3.705 ( -4.843 3.025 4.350) 7.178 3.796 ( -11.264 0.152 8.246) 13.960 4.514 ( -10.601 8.868 0.293) 13.824 4.751 ( 0.599 0.422 -4.197) 4.260 5.348 ( 3.263 6.461 -8.156) 10.904 5.490 ( -3.281 9.264 -11.219) 14.915 6.276 ( 1.210 2.601 -3.063) 4.196 6.422 ( 1.611 4.801 3.784) 6.322 6.863 ( -2.986 -4.716 0.155) 5.584 7.367 ( -0.662 -4.211 1.723) 4.598 7.816 ( 6.560 13.106 1.034) 14.692 7.934 ( -8.350 12.724 -2.134) 15.368 7.969 ( 2.979 4.324 7.125) 8.851 8.262 ( 4.636 -1.367 -3.042) 5.711 8.685 ( -3.363 -5.055 8.558) 10.493 8.839 ( -6.223 -2.364 9.619) 11.697 9.221 ( 0.643 2.734 2.187) 3.560 9.669 ( -1.982 0.370 2.006) 2.845 9.810 ( -7.247 4.495 -5.420) 10.104 10.266 ( 18.138 2.073 6.887) 19.512 10.565 ( 4.148 10.526 -8.008) 13.861 10.628 ( 2.643 0.491 0.198) 2.695 10.657 ( -4.942 -11.925 3.026) 13.259 11.360 ( 7.300 -3.113 1.326) 8.046 11.506 ( 9.821 -17.555 4.980) 20.723 11.835 ( -7.196 -21.590 -0.321) 22.760 12.363 ( -1.534 2.084 -1.739) 3.117 12.453 ( 4.933 -10.694 5.104) 12.835 12.609 ( -4.088 -1.080 -2.805) 5.074 13.345 ( -2.454 -20.349 -5.375) 21.190 13.894 ( 4.522 -3.082 5.349) 7.652 14.125 ( -0.712 -2.889 3.746) 4.784 14.272 ( -1.085 0.777 -2.766) 3.071 14.578 ( -3.269 0.865 -2.526) 4.221 15.584 ( -4.909 15.106 4.619) 16.541 16.320 ( 3.306 1.970 1.749) 4.228 16.337 ( 6.761 6.912 -6.354) 11.570 16.427 ( -1.728 3.427 -0.928) 3.949 18.382 ( -1.590 1.108 1.584) 2.503 18.653 ( -0.856 -5.068 2.371) 5.660 19.189 ( 0.520 8.234 -2.552) 8.636 20.094 ( 7.711 -11.200 -5.870) 14.811 ======================= Grid point 186 (95/205) ======================= q-point: (-0.33 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -15.941 11.759 -0.605) 19.818 1.855 ( -20.278 12.465 4.907) 24.304 2.743 ( 2.438 -8.319 -6.608) 10.900 2.950 ( 0.686 -9.065 -6.207) 11.008 3.228 ( -19.125 9.011 -0.354) 21.144 3.549 ( -13.275 2.565 5.192) 14.483 3.768 ( -0.826 1.574 12.197) 12.326 3.939 ( 6.199 1.227 2.060) 6.647 4.316 ( -11.313 8.970 1.234) 14.490 4.692 ( -3.448 -2.466 -1.019) 4.360 5.239 ( -8.613 11.064 -7.036) 15.687 5.339 ( 3.743 1.258 -13.321) 13.894 6.273 ( 0.634 1.570 -0.502) 1.766 6.481 ( 1.823 3.592 2.036) 4.514 6.828 ( -3.011 -4.769 3.239) 6.504 7.361 ( -1.499 -2.709 1.401) 3.398 7.741 ( -8.468 6.535 -3.722) 11.326 7.997 ( 8.167 15.933 5.091) 18.614 8.092 ( 3.760 5.792 5.508) 8.833 8.221 ( -3.727 -0.395 -8.523) 9.311 8.698 ( -0.554 -8.821 1.238) 8.925 8.845 ( -2.399 4.738 8.690) 10.184 9.294 ( 1.096 2.095 7.987) 8.329 9.485 ( -6.403 -3.696 -8.621) 11.357 9.901 ( 3.108 3.270 12.190) 12.998 10.318 ( -10.065 2.803 -8.194) 13.278 10.566 ( 7.080 -7.264 -10.451) 14.564 10.662 ( 5.621 -4.945 -0.257) 7.491 10.824 ( 12.869 3.924 4.254) 14.111 11.512 ( 13.304 2.575 0.590) 13.564 11.761 ( 0.401 -15.472 3.878) 15.955 11.831 ( 10.520 -15.353 11.002) 21.621 12.315 ( -0.310 2.591 -0.738) 2.712 12.520 ( -1.094 -1.590 -3.636) 4.116 12.610 ( 2.665 -15.734 8.416) 18.041 13.168 ( -8.316 -21.048 -11.286) 25.289 13.910 ( -7.119 1.460 2.679) 7.745 14.159 ( 0.223 -0.110 2.958) 2.968 14.281 ( 3.920 -1.451 -2.226) 4.736 14.534 ( 0.624 -1.100 0.587) 1.394 15.509 ( -8.887 18.132 4.837) 20.764 16.391 ( 7.162 6.212 -5.879) 11.155 16.460 ( 10.039 1.860 2.761) 10.577 16.503 ( 10.582 3.689 0.186) 11.208 18.356 ( -3.407 0.647 1.730) 3.876 18.590 ( -6.419 -5.352 -1.770) 8.542 19.160 ( -3.892 8.706 1.979) 9.740 20.077 ( 0.575 -12.171 -13.004) 17.820 ======================= Grid point 187 (96/205) ======================= q-point: (-0.22 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( -12.544 15.139 5.091) 20.309 1.564 ( -18.934 14.137 6.508) 24.509 2.701 ( -5.774 1.133 1.119) 5.990 2.814 ( -13.804 2.239 5.250) 14.938 3.017 ( -4.302 -0.725 1.323) 4.559 3.399 ( -6.402 7.008 -0.525) 9.507 3.831 ( -5.437 1.365 4.896) 7.443 3.880 ( -11.404 6.795 2.598) 13.526 4.254 ( 2.799 2.395 -2.215) 4.299 4.654 ( -2.805 -5.741 5.785) 8.619 5.012 ( -6.632 7.085 -9.435) 13.536 5.313 ( 5.765 -2.473 -8.466) 10.537 6.288 ( 0.790 0.460 0.869) 1.261 6.532 ( 3.117 2.557 -0.229) 4.039 6.821 ( -3.200 -4.664 5.460) 7.861 7.357 ( -0.746 -2.374 2.077) 3.242 7.558 ( -8.579 2.291 -2.627) 9.260 8.006 ( -6.951 -0.604 -7.263) 10.072 8.156 ( -0.907 8.093 8.412) 11.708 8.268 ( 12.861 11.592 0.957) 17.340 8.656 ( -0.800 -0.363 -3.468) 3.578 8.966 ( 2.291 -3.855 12.142) 12.943 9.231 ( -8.068 7.677 -3.458) 11.661 9.521 ( 3.741 -8.633 11.964) 15.220 9.892 ( -7.676 4.520 -14.959) 17.411 10.142 ( -3.028 -2.951 5.052) 6.588 10.533 ( 6.312 -7.843 -12.228) 15.839 10.791 ( 7.758 -0.421 1.718) 7.957 11.066 ( 13.393 8.001 -1.219) 15.648 11.668 ( 4.397 0.194 -1.808) 4.758 11.937 ( 12.175 -4.976 2.087) 13.317 12.038 ( -0.420 -9.436 7.828) 12.267 12.352 ( 1.215 -6.384 2.069) 6.820 12.517 ( 3.077 -16.896 5.599) 18.063 12.727 ( 3.207 -12.565 4.265) 13.651 12.886 ( -10.060 -11.452 -7.797) 17.121 13.793 ( -7.533 2.762 0.903) 8.073 14.149 ( -1.628 4.485 -1.060) 4.887 14.329 ( 2.930 -0.550 -0.320) 2.999 14.592 ( 1.859 -3.859 3.355) 5.441 15.414 ( -7.396 19.216 5.398) 21.286 16.459 ( 8.434 -0.269 -6.602) 10.714 16.674 ( 10.106 2.951 2.798) 10.893 16.784 ( 19.279 6.576 3.561) 20.679 18.299 ( -5.116 -0.261 1.065) 5.232 18.434 ( -7.461 -3.235 -3.071) 8.693 19.084 ( -7.600 8.299 2.012) 11.431 19.821 ( -9.394 -6.705 -22.919) 25.661 ======================= Grid point 188 (97/205) ======================= q-point: (-0.11 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( -6.113 19.240 10.625) 22.813 1.425 ( -9.598 16.797 16.347) 25.328 2.519 ( -19.602 21.788 16.550) 33.657 2.789 ( 2.373 -10.900 0.238) 11.157 3.004 ( -1.692 -5.159 5.257) 7.558 3.337 ( 0.986 12.148 -2.286) 12.400 3.609 ( -14.066 14.241 -0.878) 20.036 3.822 ( -5.033 -3.820 3.795) 7.371 4.259 ( 2.441 0.678 -6.730) 7.191 4.713 ( -1.321 -8.294 10.371) 13.345 4.848 ( -0.748 4.244 -8.939) 9.923 5.353 ( 6.852 -5.600 -5.636) 10.492 6.308 ( 1.280 -0.444 -1.033) 1.704 6.569 ( 2.770 2.426 -3.620) 5.164 6.823 ( -3.638 -5.153 6.152) 8.812 7.378 ( -0.318 -1.893 2.859) 3.444 7.432 ( -3.440 -0.195 0.550) 3.489 7.911 ( 1.397 -3.633 -0.508) 3.926 8.177 ( -2.466 7.284 0.685) 7.721 8.383 ( -0.950 3.969 2.370) 4.719 8.740 ( 6.836 7.398 3.857) 10.786 9.027 ( -5.082 0.141 3.699) 6.288 9.180 ( 2.897 0.376 7.585) 8.128 9.451 ( -12.292 -3.419 -12.858) 18.114 9.758 ( 1.056 -6.059 -1.314) 6.290 10.141 ( 4.152 -1.717 -0.864) 4.575 10.623 ( 12.395 -0.328 -5.120) 13.415 10.926 ( 5.061 2.960 1.503) 6.052 11.250 ( 11.543 9.821 -4.269) 15.746 11.695 ( 1.394 4.547 -4.516) 6.558 11.917 ( -13.053 -9.778 0.236) 16.311 12.017 ( -3.664 -8.275 1.528) 9.178 12.410 ( -0.028 -7.957 -3.191) 8.573 12.615 ( 1.543 -20.494 3.462) 20.841 12.741 ( -4.990 -11.117 8.980) 15.137 12.898 ( 9.589 -11.262 4.079) 15.344 13.682 ( -6.433 0.922 1.049) 6.583 14.119 ( 1.248 5.937 -4.165) 7.359 14.373 ( 1.677 3.353 1.793) 4.156 14.637 ( -0.534 -3.959 3.677) 5.430 15.387 ( -3.236 19.180 7.417) 20.817 16.527 ( 7.533 -2.769 -8.198) 11.473 16.848 ( 5.253 2.196 3.524) 6.696 17.131 ( 14.587 3.334 2.113) 15.111 18.214 ( -3.803 -0.274 -0.031) 3.813 18.333 ( -0.977 -1.720 -0.916) 2.180 18.940 ( -8.909 9.412 -2.457) 13.191 19.365 ( -11.011 7.435 -24.653) 28.005 ======================= Grid point 189 (98/205) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.744 ( -3.160 15.004 11.964) 19.448 2.025 ( 4.077 21.226 15.584) 26.646 2.379 ( -4.288 -13.763 -0.619) 14.429 2.776 ( 3.501 -12.041 13.163) 18.180 3.127 ( -1.769 14.649 8.931) 17.248 3.608 ( 3.792 0.346 -0.487) 3.839 3.679 ( -6.208 9.740 -2.075) 11.736 3.705 ( 1.148 1.569 -2.031) 2.811 4.235 ( -1.027 4.230 -3.851) 5.812 4.579 ( -1.793 -9.149 6.182) 11.186 4.953 ( 5.620 6.623 -2.703) 9.097 5.264 ( 5.981 -7.779 -4.101) 10.635 6.335 ( 1.740 3.118 -2.726) 4.492 6.536 ( 2.349 -4.184 -3.959) 6.220 6.817 ( -2.758 5.693 1.904) 6.606 7.228 ( -1.692 -10.659 0.214) 10.795 7.600 ( 5.804 9.749 2.519) 11.623 7.885 ( 6.303 -3.142 -0.476) 7.059 8.285 ( -1.515 7.162 -1.200) 7.418 8.452 ( -8.089 2.030 -2.852) 8.814 8.646 ( -4.795 -1.679 4.289) 6.649 8.925 ( -4.657 -14.877 15.417) 21.924 9.155 ( 0.021 -6.016 -15.487) 16.614 9.187 ( -9.940 -3.571 -3.819) 11.232 9.799 ( 3.149 18.247 7.622) 20.024 10.347 ( 9.805 -3.492 8.071) 13.171 10.760 ( -2.742 6.298 -9.763) 11.937 11.142 ( -2.088 4.887 1.993) 5.676 11.272 ( 7.353 -10.005 -2.867) 12.743 11.604 ( -1.085 -3.997 4.239) 5.926 11.806 ( 7.431 1.620 0.028) 7.605 11.934 ( -9.535 3.712 -4.929) 11.358 12.208 ( -8.142 -0.900 -5.646) 9.949 12.363 ( -2.236 -8.613 0.369) 8.906 12.485 ( -3.526 -3.546 6.216) 7.978 12.839 ( 8.500 -13.695 2.304) 16.282 13.720 ( -1.344 7.964 -2.131) 8.353 14.066 ( -1.408 -4.317 -8.581) 9.709 14.485 ( 0.664 1.863 2.158) 2.928 14.575 ( -0.650 -3.657 2.736) 4.613 15.835 ( 0.727 17.730 5.705) 18.640 16.390 ( 0.816 -8.829 -5.538) 10.454 16.977 ( -3.398 5.505 5.154) 8.272 17.212 ( -2.769 -4.120 5.111) 7.125 18.231 ( 2.179 1.744 1.073) 2.990 18.326 ( 3.198 -2.492 1.257) 4.245 19.018 ( 0.257 9.968 -8.209) 12.916 19.232 ( 3.621 1.263 -15.248) 15.723 ======================= Grid point 190 (99/205) ======================= q-point: ( 0.11 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 1.449 11.024 17.183) 20.467 2.217 ( 2.162 16.674 11.360) 20.291 2.356 ( -0.944 -8.913 4.453) 10.008 2.938 ( 0.520 -13.168 7.755) 15.291 3.286 ( 11.042 13.925 5.451) 18.589 3.529 ( -2.795 10.291 -5.805) 12.142 3.706 ( 4.886 1.135 -3.115) 5.905 3.765 ( 5.610 -5.117 3.530) 8.374 4.236 ( 3.537 8.203 2.474) 9.269 4.625 ( 2.054 -7.436 2.176) 8.015 5.047 ( 7.730 6.503 -2.268) 10.353 5.340 ( 7.594 -6.995 -3.644) 10.949 6.333 ( 2.057 4.528 -3.987) 6.374 6.543 ( 4.071 -1.854 -5.536) 7.118 6.802 ( -0.555 3.302 1.276) 3.584 7.158 ( -2.556 -9.031 -5.570) 10.914 7.760 ( 8.914 7.310 1.437) 11.617 7.969 ( 2.779 0.169 -4.840) 5.583 8.211 ( -7.911 5.691 -2.434) 10.045 8.281 ( -0.193 4.595 -0.791) 4.666 8.628 ( -2.919 -3.194 1.572) 4.604 8.962 ( -5.897 -11.826 8.156) 15.529 9.022 ( -2.149 -6.144 0.796) 6.558 9.174 ( 4.419 -8.234 5.158) 10.673 9.934 ( 3.301 18.917 6.455) 20.259 10.469 ( -5.612 -2.668 -4.044) 7.414 10.628 ( 1.645 5.695 2.744) 6.532 11.059 ( -7.098 -2.425 3.141) 8.132 11.294 ( -7.390 -0.560 -3.355) 8.135 11.586 ( -14.858 3.431 -5.593) 16.242 11.635 ( -12.303 -9.684 6.314) 16.882 11.798 ( -10.319 0.018 -1.829) 10.480 12.112 ( 8.400 4.029 -1.937) 9.515 12.397 ( 6.491 -13.445 0.970) 14.962 12.539 ( 2.124 3.290 2.647) 4.727 12.953 ( 5.002 -14.031 -2.737) 15.145 13.689 ( -0.188 4.687 -1.943) 5.077 13.947 ( -2.202 -5.375 -7.679) 9.629 14.504 ( -1.005 0.895 2.510) 2.848 14.583 ( -0.875 -2.725 1.938) 3.457 15.900 ( -0.414 14.446 5.444) 15.443 16.308 ( -3.024 -5.611 -6.062) 8.796 16.921 ( -8.412 7.510 4.784) 12.249 17.162 ( -8.467 -2.440 5.050) 10.156 18.287 ( 2.093 1.821 1.394) 3.105 18.372 ( 1.274 -1.187 -0.301) 1.767 19.020 ( 9.104 8.408 -7.383) 14.425 19.249 ( 14.326 -1.502 -12.556) 19.109 ======================= Grid point 191 (100/205) ======================= q-point: ( 0.22 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.133 ( 5.339 6.413 20.818) 22.428 2.354 ( 2.715 2.260 7.742) 8.510 2.420 ( 0.393 6.173 8.944) 10.875 2.915 ( -5.338 -7.954 -3.123) 10.075 3.446 ( -0.307 8.872 -2.820) 9.314 3.525 ( 11.613 10.514 -3.626) 16.079 3.757 ( 1.928 -6.175 2.512) 6.940 3.909 ( 6.416 -6.132 1.017) 8.933 4.410 ( 11.426 8.817 4.167) 15.022 4.682 ( 4.614 -3.336 -2.274) 6.131 5.173 ( 10.127 7.490 -2.126) 12.774 5.454 ( 9.231 -4.979 -2.122) 10.700 6.330 ( 2.228 5.971 -3.237) 7.148 6.545 ( 2.819 1.413 -6.718) 7.421 6.837 ( 2.810 -1.843 1.597) 3.720 7.067 ( 1.178 -7.043 -7.937) 10.677 7.841 ( -4.110 1.997 -7.103) 8.446 7.878 ( 4.934 0.163 -5.164) 7.144 8.145 ( -0.289 13.230 0.286) 13.236 8.358 ( 3.500 6.973 7.311) 10.693 8.601 ( -2.480 -3.752 3.110) 5.468 8.897 ( -8.640 -7.613 4.427) 12.337 9.081 ( 2.468 -3.248 6.730) 7.870 9.364 ( 5.677 -11.360 11.979) 17.457 10.020 ( 0.347 17.538 4.148) 18.025 10.311 ( -4.846 1.412 -1.630) 5.304 10.675 ( -0.073 0.502 -3.090) 3.131 10.985 ( -9.848 -3.129 9.061) 13.743 11.023 ( -14.357 4.846 -7.150) 16.755 11.244 ( -20.053 -3.776 -6.083) 21.293 11.321 ( -10.569 -1.178 -4.847) 11.687 11.705 ( -10.645 -18.729 6.950) 22.636 12.285 ( 6.368 5.516 2.199) 8.707 12.521 ( 6.538 -0.433 0.259) 6.557 12.589 ( 2.099 -3.037 -0.782) 3.774 12.983 ( 3.821 -14.874 -3.513) 15.754 13.667 ( -0.208 2.280 -1.732) 2.871 13.871 ( 1.035 -6.048 -3.832) 7.234 14.499 ( -2.345 1.311 1.955) 3.323 14.598 ( 0.620 -2.377 1.552) 2.906 15.910 ( -3.632 11.348 3.041) 12.297 16.198 ( -2.683 -3.248 -4.362) 6.064 16.805 ( -10.118 8.549 4.094) 13.864 17.031 ( -12.195 -1.238 3.757) 12.820 18.331 ( 2.257 1.900 0.670) 3.025 18.391 ( 2.674 0.006 -1.178) 2.922 19.141 ( 12.148 7.141 -6.541) 15.535 19.418 ( 16.362 -5.152 -8.041) 18.945 ======================= Grid point 192 (101/205) ======================= q-point: ( 0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.405 ( 0.906 4.600 15.277) 15.980 2.464 ( 2.107 1.571 6.079) 6.623 2.551 ( 2.904 2.432 12.978) 13.520 2.732 ( -7.798 -2.406 -8.286) 11.630 3.450 ( 1.323 7.498 2.801) 8.113 3.601 ( 6.352 7.464 -10.879) 14.643 3.805 ( -2.713 -7.709 6.590) 10.498 3.950 ( 1.829 -7.305 -6.913) 10.223 4.637 ( 11.684 5.027 -1.382) 12.795 4.743 ( 5.877 1.098 -3.424) 6.889 5.348 ( 11.250 8.415 -1.071) 14.090 5.597 ( 9.000 -1.835 -1.694) 9.340 6.352 ( 3.181 6.359 -1.745) 7.321 6.506 ( 1.443 4.151 -6.914) 8.192 6.876 ( 0.584 -3.118 -1.448) 3.487 7.079 ( 5.133 -8.981 -0.947) 10.388 7.750 ( 0.278 3.171 -1.471) 3.507 7.897 ( 4.643 -2.957 -5.807) 8.001 8.165 ( 1.066 14.657 2.326) 14.879 8.487 ( 0.404 3.189 5.685) 6.531 8.603 ( -2.004 5.903 6.546) 9.040 8.771 ( -10.442 -2.658 5.282) 12.000 9.196 ( 3.083 0.288 5.017) 5.895 9.554 ( 1.998 -12.792 10.556) 16.705 10.049 ( -1.347 16.606 5.141) 17.435 10.273 ( -0.390 -0.777 -3.272) 3.385 10.584 ( -2.813 -1.329 -3.023) 4.338 10.752 ( -11.555 4.781 -2.516) 12.755 10.807 ( -10.198 -2.721 -0.445) 10.564 11.016 ( -9.394 2.542 4.153) 10.581 11.173 ( 0.999 -8.979 -7.762) 11.911 11.560 ( -13.906 -27.698 6.551) 31.678 12.286 ( -3.226 3.521 -2.739) 5.505 12.546 ( -0.320 -0.739 -4.757) 4.824 12.680 ( 5.470 -0.642 2.915) 6.231 13.023 ( 2.600 -14.456 -1.144) 14.732 13.668 ( 1.981 2.851 0.086) 3.472 13.896 ( 3.521 -6.410 -0.393) 7.324 14.467 ( -2.938 3.196 0.752) 4.406 14.624 ( 0.750 -3.083 0.530) 3.217 15.859 ( -3.851 10.378 1.486) 11.169 16.142 ( -0.325 -3.851 -1.698) 4.221 16.670 ( -9.082 7.584 2.087) 12.015 16.832 ( -13.357 0.357 1.064) 13.404 18.379 ( 2.449 2.046 0.438) 3.221 18.450 ( 4.208 -0.727 0.791) 4.343 19.270 ( 9.911 7.571 -6.016) 13.847 19.612 ( 13.485 -7.787 -4.762) 16.283 ======================= Grid point 193 (102/205) ======================= q-point: (-0.56 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.431 ( -7.594 4.245 -8.660) 12.275 2.465 ( -9.395 7.324 12.120) 16.994 2.551 ( 2.461 -2.916 -6.592) 7.617 2.773 ( 0.010 -5.246 15.305) 16.179 3.523 ( 4.881 3.103 -3.523) 6.773 3.580 ( 2.171 4.857 -1.772) 5.608 3.780 ( -3.493 -4.008 0.275) 5.324 3.871 ( -4.720 -5.231 -1.744) 7.258 4.742 ( 2.948 4.270 -3.101) 6.045 4.793 ( 3.694 2.102 -4.177) 5.959 5.484 ( 7.123 8.297 -4.678) 11.894 5.691 ( 4.307 1.001 -3.997) 5.961 6.376 ( 1.807 5.423 -3.558) 6.733 6.481 ( 1.469 4.186 -1.979) 4.857 6.854 ( -0.989 -0.432 -1.120) 1.556 7.158 ( 2.186 -10.816 2.499) 11.314 7.836 ( 7.150 4.204 5.088) 9.731 7.951 ( 6.396 0.672 -1.682) 6.647 8.231 ( 3.843 10.473 2.273) 11.384 8.412 ( -8.836 8.681 -1.973) 12.543 8.622 ( -5.767 0.915 7.687) 9.654 8.743 ( -2.849 0.204 9.142) 9.578 9.273 ( 1.769 3.271 1.903) 4.177 9.642 ( -0.085 -8.689 5.439) 10.251 10.100 ( -4.023 6.966 1.843) 8.253 10.138 ( -0.670 8.765 -3.784) 9.570 10.576 ( -1.916 2.718 0.813) 3.423 10.592 ( -6.611 -0.901 0.569) 6.697 10.782 ( 4.028 -3.918 1.987) 5.960 10.950 ( 1.359 -3.680 4.096) 5.672 11.164 ( 4.542 -7.057 -3.910) 9.258 11.379 ( -13.666 -32.393 5.343) 35.561 12.227 ( 1.895 2.591 -3.499) 4.748 12.500 ( 0.805 -3.393 -4.402) 5.615 12.719 ( -2.831 2.496 -0.408) 3.796 13.026 ( -0.361 -15.000 -2.589) 15.227 13.744 ( 4.750 2.601 3.248) 6.314 13.962 ( 3.276 -6.200 1.661) 7.206 14.412 ( -3.767 4.638 -0.608) 6.006 14.617 ( -1.529 -3.367 -1.220) 3.894 15.841 ( -0.641 10.832 2.981) 11.253 16.155 ( 2.923 -4.935 0.224) 5.740 16.548 ( -5.434 5.723 -1.046) 7.961 16.625 ( -9.850 2.124 -1.391) 10.172 18.414 ( 0.670 2.310 0.914) 2.573 18.528 ( 2.451 -2.825 2.096) 4.287 19.351 ( 5.832 9.105 -4.412) 11.678 19.768 ( 9.486 -10.174 -3.549) 14.356 ======================= Grid point 194 (103/205) ======================= q-point: (-0.44 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( -9.890 8.514 -8.318) 15.475 2.357 ( -14.200 11.790 5.944) 19.390 2.544 ( 3.996 -9.184 -7.411) 12.459 2.814 ( -4.238 -9.534 0.824) 10.466 3.503 ( -1.618 2.718 -3.137) 4.455 3.656 ( 3.467 -3.074 0.986) 4.737 3.750 ( -6.567 1.624 6.361) 9.286 3.797 ( -1.490 -0.262 6.369) 6.546 4.679 ( -7.188 6.384 -1.206) 9.689 4.765 ( -1.701 0.678 -4.614) 4.964 5.488 ( 1.817 7.142 -8.911) 11.563 5.637 ( -3.776 3.398 -7.849) 9.350 6.351 ( -0.219 4.752 -2.680) 5.460 6.501 ( 0.851 1.218 0.769) 1.673 6.826 ( -2.140 2.507 1.272) 3.533 7.200 ( 0.222 -10.961 1.983) 11.141 8.040 ( 4.168 6.951 0.317) 8.111 8.052 ( 5.444 4.742 8.309) 11.007 8.242 ( -3.976 14.376 -3.027) 15.220 8.325 ( 4.450 5.886 -1.340) 7.499 8.593 ( -5.884 -2.158 5.903) 8.609 8.765 ( -4.410 -4.120 9.451) 11.214 9.297 ( 0.164 4.117 0.020) 4.121 9.654 ( -2.430 -4.619 -2.616) 5.838 9.970 ( -0.768 11.408 -0.704) 11.456 10.260 ( 3.385 0.344 6.528) 7.361 10.443 ( -9.296 -8.563 -1.482) 12.726 10.599 ( 2.492 1.771 3.283) 4.486 10.819 ( 6.599 4.982 -8.647) 11.964 11.170 ( 7.567 -11.348 8.277) 15.955 11.255 ( -1.058 -27.140 3.625) 27.401 11.306 ( 11.301 -4.281 7.913) 14.445 12.292 ( 7.505 0.746 -0.794) 7.584 12.473 ( -0.849 -0.236 -3.012) 3.139 12.606 ( -6.123 1.155 -4.203) 7.516 12.943 ( -3.215 -17.569 -7.653) 19.431 13.880 ( 5.266 1.789 5.420) 7.766 14.044 ( 2.978 -4.558 4.348) 6.968 14.330 ( -3.655 4.637 -2.381) 6.366 14.550 ( -3.735 -3.552 -2.387) 5.680 15.874 ( -1.217 12.586 4.078) 13.286 16.239 ( 5.077 -5.597 1.383) 7.682 16.488 ( 1.140 4.189 -2.672) 5.098 16.504 ( -0.273 3.246 -2.428) 4.063 18.416 ( -1.911 2.241 1.471) 3.293 18.554 ( -1.782 -4.430 1.237) 4.932 19.380 ( 1.520 10.325 -2.130) 10.651 19.851 ( 4.789 -12.079 -4.604) 13.786 ======================= Grid point 195 (104/205) ======================= q-point: (-0.33 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -8.123 13.953 -4.720) 16.821 2.124 ( -15.692 13.672 0.020) 20.813 2.530 ( 1.323 -12.208 -4.325) 13.019 2.710 ( -2.503 -13.449 -6.787) 15.271 3.422 ( -8.716 9.047 4.989) 13.517 3.616 ( -10.436 2.899 7.398) 13.117 3.771 ( -0.675 -0.758 8.006) 8.070 3.904 ( 5.154 -4.065 1.969) 6.853 4.505 ( -11.464 8.286 0.442) 14.152 4.661 ( -6.164 -0.857 -1.081) 6.316 5.388 ( -0.829 3.676 -11.111) 11.733 5.420 ( -9.566 5.074 -10.555) 15.121 6.329 ( -0.893 4.027 0.331) 4.138 6.515 ( -0.622 -1.772 1.689) 2.526 6.815 ( -1.225 4.696 2.381) 5.405 7.212 ( -0.135 -10.496 0.651) 10.517 7.904 ( -11.442 9.566 -3.044) 15.222 8.219 ( -3.871 0.031 -4.145) 5.672 8.245 ( -0.308 7.573 2.929) 8.126 8.327 ( 8.796 11.699 0.951) 14.668 8.597 ( -0.808 0.157 6.576) 6.627 8.809 ( -3.237 -7.379 9.362) 12.353 9.315 ( 2.235 3.259 1.123) 4.108 9.540 ( -2.918 5.695 -4.444) 7.791 10.044 ( 0.826 4.372 7.403) 8.637 10.195 ( -13.594 -6.851 -1.183) 15.269 10.371 ( 4.360 -6.051 -3.705) 8.328 10.698 ( 7.896 5.482 -1.821) 9.783 10.938 ( 17.760 0.103 -7.612) 19.322 11.225 ( 0.355 -23.827 5.625) 24.485 11.533 ( 18.876 -0.830 5.992) 19.822 11.665 ( 14.084 -7.843 14.624) 21.766 12.337 ( -4.410 1.808 -6.117) 7.755 12.428 ( -7.618 -1.384 1.017) 7.809 12.477 ( 4.231 -3.451 -3.579) 6.529 12.803 ( -2.119 -14.898 -7.918) 17.004 13.974 ( -1.490 4.908 3.427) 6.169 14.157 ( 3.876 -1.572 6.233) 7.506 14.268 ( 0.787 1.573 -3.962) 4.335 14.472 ( -2.041 -4.947 -0.855) 5.419 15.851 ( -4.875 14.938 2.396) 15.895 16.308 ( 3.061 -7.350 -1.684) 8.139 16.556 ( 8.490 3.677 1.166) 9.326 16.607 ( 11.997 3.396 -0.030) 12.468 18.379 ( -4.213 1.573 1.450) 4.725 18.491 ( -5.701 -4.104 -0.402) 7.036 19.357 ( -2.517 10.378 -1.035) 10.729 19.825 ( -0.656 -12.178 -8.035) 14.605 ======================= Grid point 196 (105/205) ======================= q-point: (-0.22 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( -5.487 18.437 0.159) 19.237 1.878 ( -12.980 15.981 2.987) 20.804 2.515 ( -0.734 -12.621 1.430) 12.723 2.619 ( -1.488 -16.312 -4.836) 17.079 3.297 ( -16.397 16.088 12.553) 26.177 3.542 ( -3.200 5.917 2.181) 7.072 3.803 ( -4.605 -2.014 5.775) 7.657 3.946 ( -1.028 -2.839 -2.504) 3.922 4.354 ( -6.209 7.335 1.504) 9.727 4.568 ( -6.216 -2.929 4.827) 8.397 5.144 ( -8.237 5.372 -11.426) 15.075 5.272 ( 0.251 -1.720 -9.221) 9.384 6.325 ( -0.744 3.256 1.517) 3.669 6.521 ( -0.801 -3.926 2.263) 4.601 6.830 ( -0.101 5.661 2.157) 6.059 7.215 ( 0.241 -9.973 -0.027) 9.976 7.681 ( -9.985 8.888 -2.578) 13.614 7.977 ( -9.388 -2.801 -6.336) 11.667 8.318 ( 0.255 7.874 3.311) 8.546 8.467 ( 3.968 6.628 0.248) 7.728 8.685 ( 2.147 1.394 8.770) 9.136 8.815 ( -5.855 -10.422 8.233) 14.515 9.332 ( 1.841 6.901 -4.886) 8.654 9.564 ( -1.334 10.481 10.451) 14.861 9.904 ( -11.418 -8.508 -8.433) 16.549 10.052 ( -2.376 -6.317 -2.649) 7.250 10.485 ( 11.906 8.267 -0.301) 14.498 10.849 ( 12.153 6.147 -3.219) 13.995 11.197 ( 19.806 -1.230 -8.536) 21.602 11.324 ( 4.544 -21.584 5.471) 22.726 11.908 ( 12.746 -2.385 3.477) 13.425 12.003 ( 6.998 -0.491 8.811) 11.263 12.145 ( -4.304 -8.481 -5.963) 11.225 12.244 ( -3.773 -5.020 -3.041) 6.977 12.579 ( 1.903 -3.825 4.561) 6.249 12.716 ( -4.105 -6.774 -0.951) 7.978 13.906 ( -6.259 8.146 -0.843) 10.307 14.231 ( 0.336 -0.215 -6.429) 6.441 14.294 ( 4.909 0.279 5.491) 7.371 14.493 ( 2.075 -5.552 2.791) 6.552 15.792 ( -3.829 17.233 2.246) 17.795 16.345 ( 4.890 -9.014 -3.630) 10.879 16.744 ( 9.419 3.903 3.603) 10.814 16.864 ( 14.433 0.505 3.708) 14.910 18.305 ( -5.620 0.796 0.792) 5.731 18.374 ( -6.059 -2.531 -1.347) 6.703 19.273 ( -5.290 9.818 -2.210) 11.369 19.664 ( -5.506 -8.507 -12.769) 16.301 ======================= Grid point 197 (106/205) ======================= q-point: (-0.11 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -6.662 17.419 6.386) 19.713 1.837 ( -0.777 20.795 11.684) 23.865 2.485 ( -4.618 -15.413 -2.250) 16.246 2.615 ( 0.847 -12.398 9.044) 15.369 3.155 ( -12.560 16.580 10.796) 23.435 3.548 ( 0.965 5.196 2.244) 5.741 3.745 ( -4.592 -1.218 0.660) 4.796 3.836 ( -6.759 5.561 -3.752) 9.523 4.297 ( -1.092 3.808 -3.421) 5.235 4.555 ( -4.587 -6.995 9.519) 12.672 4.957 ( -0.947 6.199 -8.049) 10.204 5.229 ( 3.673 -6.403 -5.957) 9.486 6.330 ( 0.405 2.726 -0.065) 2.757 6.533 ( 0.428 -5.208 0.255) 5.231 6.840 ( -1.364 6.073 1.548) 6.414 7.224 ( 0.128 -10.076 1.302) 10.161 7.554 ( -2.697 9.099 0.294) 9.494 7.842 ( -0.853 -3.499 -2.201) 4.221 8.320 ( -0.678 6.845 -1.502) 7.041 8.495 ( -1.941 6.565 4.670) 8.287 8.750 ( -5.783 -7.022 0.009) 9.097 8.824 ( -3.058 -11.384 16.109) 19.961 9.315 ( -0.635 6.071 -5.966) 8.535 9.439 ( -10.406 1.753 -9.795) 14.399 9.743 ( -5.315 4.724 3.779) 8.053 10.102 ( 10.200 -4.044 2.474) 11.248 10.715 ( 13.841 9.991 -2.212) 17.213 11.012 ( 10.162 5.586 -2.434) 11.848 11.330 ( 4.519 -7.226 -9.453) 12.728 11.508 ( 8.180 -19.230 5.819) 21.693 11.755 ( -5.465 5.979 -7.356) 10.942 12.085 ( -2.492 0.566 -2.355) 3.475 12.271 ( 4.233 -4.330 3.582) 7.035 12.302 ( 6.241 -5.644 1.422) 8.534 12.599 ( -10.546 -4.732 4.870) 12.543 12.669 ( 3.885 -10.311 4.776) 12.009 13.791 ( -4.619 8.871 -2.076) 10.215 14.160 ( 0.068 -3.033 -7.991) 8.548 14.420 ( 3.840 2.177 3.564) 5.673 14.548 ( 0.500 -4.177 3.001) 5.168 15.783 ( -0.967 18.700 4.080) 19.164 16.391 ( 4.623 -9.877 -4.454) 11.780 16.915 ( 4.472 4.340 5.135) 8.075 17.117 ( 8.212 -3.618 5.193) 10.368 18.226 ( -2.884 1.253 0.192) 3.150 18.295 ( -1.286 -1.874 -0.451) 2.317 19.141 ( -5.241 9.634 -5.322) 12.191 19.414 ( -5.216 -1.836 -15.654) 16.602 ======================= Grid point 198 (107/205) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -2.740 -15.752 4.675) 16.658 2.062 ( -2.740 15.752 4.675) 16.658 2.444 ( 2.314 -18.733 14.253) 23.652 2.444 ( 2.314 18.733 14.253) 23.652 3.426 ( -0.653 -12.782 5.990) 14.131 3.426 ( -0.653 12.782 5.990) 14.131 3.778 ( 0.366 -0.567 -7.870) 7.899 3.778 ( 0.366 0.567 -7.870) 7.899 4.384 ( -2.000 -9.345 4.054) 10.381 4.384 ( -2.000 9.345 4.054) 10.381 5.104 ( 5.627 -7.746 -3.274) 10.119 5.104 ( 5.627 7.746 -3.274) 10.119 6.426 ( 2.239 -5.488 -2.288) 6.354 6.426 ( 2.239 5.488 -2.288) 6.354 6.999 ( -1.851 -10.817 0.179) 10.976 6.999 ( -1.851 10.817 0.179) 10.976 7.792 ( 7.094 -7.277 0.314) 10.167 7.792 ( 7.094 7.277 0.314) 10.167 8.411 ( -3.887 -5.324 -3.921) 7.670 8.411 ( -3.887 5.324 -3.921) 7.670 8.693 ( -6.072 -6.982 11.936) 15.102 8.693 ( -6.072 6.982 11.936) 15.102 9.115 ( -7.068 -2.349 -9.747) 12.267 9.115 ( -7.068 2.349 -9.747) 12.267 10.160 ( 5.895 -14.585 9.016) 18.132 10.160 ( 5.895 14.585 9.016) 18.132 10.942 ( -3.074 -11.725 -7.575) 14.293 10.942 ( -3.074 11.725 -7.575) 14.293 11.404 ( 6.793 -11.593 4.871) 14.293 11.404 ( 6.793 11.593 4.871) 14.293 11.908 ( -0.587 -5.395 -1.746) 5.701 11.908 ( -0.587 5.395 -1.746) 5.701 12.243 ( -9.895 -4.449 -4.366) 11.695 12.243 ( -9.895 4.449 -4.366) 11.695 12.580 ( 5.854 -10.446 4.318) 12.729 12.580 ( 5.854 10.446 4.318) 12.729 13.914 ( -1.703 -9.668 -6.174) 11.596 13.914 ( -1.703 9.668 -6.174) 11.596 14.519 ( 0.025 -1.846 2.041) 2.752 14.519 ( 0.025 1.846 2.041) 2.752 16.159 ( 0.789 -13.651 -0.064) 13.674 16.159 ( 0.789 13.651 -0.064) 13.674 17.100 ( -2.817 -6.190 6.357) 9.310 17.100 ( -2.817 6.190 6.357) 9.310 18.275 ( 2.577 -2.386 1.291) 3.742 18.275 ( 2.577 2.386 1.291) 3.742 19.182 ( 1.512 -5.646 -11.196) 12.630 19.182 ( 1.512 5.646 -11.196) 12.630 ======================= Grid point 200 (108/205) ======================= q-point: ( 0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( -0.178 -11.365 9.841) 15.035 2.105 ( -0.178 11.365 9.841) 15.035 2.613 ( 1.316 -17.655 10.904) 20.792 2.613 ( 1.316 17.655 10.904) 20.792 3.549 ( 7.680 -10.670 3.798) 13.684 3.549 ( 7.680 10.670 3.798) 13.684 3.695 ( 0.106 -3.671 -7.400) 8.262 3.695 ( 0.106 3.671 -7.400) 8.262 4.442 ( 4.025 -10.207 3.764) 11.600 4.442 ( 4.025 10.207 3.764) 11.600 5.192 ( 7.998 -7.307 -2.656) 11.154 5.192 ( 7.998 7.307 -2.656) 11.154 6.446 ( 3.606 -6.030 -3.793) 7.984 6.446 ( 3.606 6.030 -3.793) 7.984 6.955 ( -1.413 -9.873 -2.700) 10.333 6.955 ( -1.413 9.874 -2.700) 10.333 7.912 ( 6.246 -6.061 -4.446) 9.773 7.912 ( 6.246 6.061 -4.446) 9.773 8.312 ( -0.908 -3.241 -2.814) 4.387 8.312 ( -0.908 3.241 -2.814) 4.387 8.689 ( -5.872 -10.553 8.513) 14.776 8.689 ( -5.872 10.553 8.513) 14.776 9.032 ( 0.869 -5.473 2.396) 6.037 9.032 ( 0.869 5.473 2.396) 6.037 10.291 ( 0.991 -14.163 4.134) 14.787 10.291 ( 0.991 14.163 4.134) 14.787 10.825 ( -4.057 -13.167 -1.672) 13.879 10.825 ( -4.057 13.167 -1.672) 13.879 11.414 ( -11.445 -8.805 4.473) 15.117 11.414 ( -11.445 8.805 4.473) 15.117 11.736 ( -18.175 -5.567 -2.040) 19.117 11.736 ( -18.175 5.567 -2.040) 19.117 12.206 ( 11.152 -5.884 -1.151) 12.662 12.206 ( 11.152 5.884 -1.151) 12.662 12.691 ( 4.572 -10.770 -1.507) 11.797 12.691 ( 4.572 10.770 -1.507) 11.797 13.818 ( -2.040 -6.999 -5.787) 9.308 13.818 ( -2.040 6.999 -5.787) 9.308 14.532 ( -0.724 -1.951 2.169) 3.006 14.532 ( -0.724 1.951 2.169) 3.006 16.149 ( -1.736 -9.858 -0.516) 10.023 16.149 ( -1.736 9.858 -0.516) 10.023 17.067 ( -8.030 -6.315 5.972) 11.834 17.067 ( -8.030 6.315 5.972) 11.834 18.333 ( 1.993 -2.363 1.127) 3.290 18.333 ( 1.993 2.363 1.127) 3.290 19.171 ( 10.023 -5.883 -10.115) 15.407 19.171 ( 10.023 5.883 -10.115) 15.407 ======================= Grid point 202 (109/205) ======================= q-point: ( 0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 2.511 -5.832 15.406) 16.663 2.258 ( 2.511 5.832 15.406) 16.663 2.688 ( -1.009 -13.379 2.978) 13.744 2.688 ( -1.009 13.379 2.978) 13.744 3.605 ( -0.905 -5.715 -1.027) 5.876 3.605 ( -0.905 5.715 -1.027) 5.876 3.748 ( 8.885 -7.986 -3.008) 12.319 3.748 ( 8.885 7.986 -3.008) 12.319 4.578 ( 8.742 -6.869 0.287) 11.122 4.578 ( 8.742 6.869 0.287) 11.122 5.327 ( 10.103 -7.176 -0.758) 12.415 5.327 ( 10.103 7.176 -0.758) 12.415 6.470 ( 3.624 -6.890 -3.774) 8.651 6.470 ( 3.624 6.890 -3.774) 8.651 6.913 ( 1.251 -7.287 -4.648) 8.733 6.913 ( 1.251 7.287 -4.648) 8.733 7.875 ( -0.075 -1.192 -8.509) 8.592 7.875 ( -0.075 1.192 -8.509) 8.592 8.358 ( 4.307 -6.988 1.153) 8.290 8.358 ( 4.307 6.988 1.153) 8.290 8.699 ( -2.852 -11.251 8.946) 14.655 8.699 ( -2.852 11.251 8.946) 14.655 9.133 ( 3.484 -8.944 8.053) 12.529 9.133 ( 3.484 8.944 8.053) 12.529 10.287 ( -2.971 -6.429 0.698) 7.117 10.287 ( -2.971 6.429 0.698) 7.117 10.760 ( -5.115 -9.953 1.015) 11.236 10.760 ( -5.115 9.953 1.015) 11.236 11.168 ( -14.565 -6.369 -2.716) 16.127 11.168 ( -14.565 6.369 -2.716) 16.127 11.413 ( -18.482 -9.486 2.386) 20.911 11.413 ( -18.482 9.486 2.386) 20.911 12.400 ( 6.749 -6.296 1.392) 9.334 12.400 ( 6.749 6.296 1.392) 9.334 12.718 ( 4.057 -10.445 -4.166) 11.955 12.718 ( 4.057 10.445 -4.166) 11.955 13.753 ( 0.279 -5.408 -3.032) 6.206 13.753 ( 0.279 5.408 -3.032) 6.206 14.542 ( -0.478 -2.695 1.773) 3.261 14.542 ( -0.478 2.695 1.773) 3.261 16.095 ( -3.417 -6.850 -0.904) 7.709 16.095 ( -3.417 6.851 -0.904) 7.709 16.955 ( -11.156 -5.812 4.598) 13.393 16.955 ( -11.156 5.812 4.598) 13.393 18.371 ( 2.338 -1.723 0.162) 2.909 18.371 ( 2.338 1.723 0.162) 2.909 19.291 ( 13.169 -7.045 -7.259) 16.606 19.291 ( 13.169 7.045 -7.259) 16.606 ======================= Grid point 204 (110/205) ======================= q-point: ( 0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.466 ( 1.273 -1.510 16.647) 16.763 2.466 ( 1.273 1.510 16.647) 16.764 2.644 ( -2.929 -5.617 -3.616) 7.294 2.644 ( -2.929 5.617 -3.616) 7.294 3.600 ( -2.111 -6.926 4.320) 8.431 3.600 ( -2.111 6.926 4.320) 8.432 3.800 ( 5.137 -6.725 -9.676) 12.855 3.800 ( 5.137 6.725 -9.676) 12.855 4.722 ( 9.121 -2.915 -3.046) 10.048 4.722 ( 9.121 2.915 -3.046) 10.048 5.507 ( 10.224 -6.571 0.229) 12.156 5.507 ( 10.224 6.571 0.229) 12.156 6.488 ( 3.019 -5.598 -4.220) 7.633 6.488 ( 3.019 5.598 -4.220) 7.633 6.911 ( 2.442 -6.403 -1.954) 7.126 6.911 ( 2.442 6.403 -1.954) 7.126 7.823 ( 2.602 -3.823 -3.642) 5.887 7.823 ( 2.602 3.823 -3.642) 5.887 8.410 ( 0.953 -8.133 0.570) 8.209 8.410 ( 0.953 8.133 0.570) 8.209 8.749 ( -3.401 -4.278 8.485) 10.093 8.749 ( -3.401 4.278 8.485) 10.093 9.283 ( 4.262 -10.165 7.308) 13.226 9.283 ( 4.262 10.165 7.308) 13.226 10.254 ( -1.445 -2.966 1.022) 3.454 10.254 ( -1.445 2.966 1.022) 3.454 10.635 ( -7.191 -8.049 -0.983) 10.838 10.635 ( -7.191 8.049 -0.983) 10.838 10.976 ( -7.056 -12.665 -0.495) 14.507 10.976 ( -7.056 12.665 -0.495) 14.507 11.149 ( -14.677 -9.222 2.430) 17.503 11.149 ( -14.677 9.222 2.430) 17.503 12.403 ( -1.544 -8.116 -4.894) 9.603 12.403 ( -1.544 8.116 -4.894) 9.603 12.790 ( 4.518 -8.421 0.370) 9.563 12.790 ( 4.518 8.421 0.370) 9.563 13.767 ( 2.809 -6.056 -0.115) 6.677 13.767 ( 2.809 6.056 -0.115) 6.677 14.547 ( -0.652 -4.203 0.661) 4.304 14.547 ( -0.652 4.203 0.661) 4.304 16.033 ( -2.446 -6.752 -0.191) 7.184 16.033 ( -2.446 6.752 -0.191) 7.184 16.792 ( -11.417 -4.123 1.947) 12.293 16.792 ( -11.417 4.123 1.947) 12.293 18.422 ( 2.924 -1.891 0.559) 3.526 18.422 ( 2.924 1.891 0.559) 3.526 19.440 ( 11.098 -8.663 -5.056) 14.959 19.440 ( 11.098 8.663 -5.056) 14.959 ======================= Grid point 206 (111/205) ======================= q-point: (-0.56 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -3.322 -2.816 -7.314) 8.512 2.492 ( -3.322 2.816 -7.314) 8.512 2.637 ( -4.467 -7.872 12.761) 15.645 2.637 ( -4.467 7.872 12.761) 15.645 3.591 ( -0.410 -2.933 -1.990) 3.568 3.591 ( -0.410 2.933 -1.990) 3.568 3.777 ( 0.305 -3.431 -1.827) 3.900 3.777 ( 0.305 3.431 -1.827) 3.900 4.801 ( 3.712 -1.333 -3.921) 5.561 4.801 ( 3.712 1.333 -3.921) 5.561 5.636 ( 5.667 -5.769 -3.229) 8.708 5.636 ( 5.667 5.769 -3.229) 8.708 6.482 ( 1.426 -3.832 -4.368) 5.983 6.482 ( 1.426 3.832 -4.368) 5.983 6.944 ( 0.909 -8.761 1.850) 9.000 6.944 ( 0.909 8.761 1.850) 9.000 7.912 ( 7.996 -3.113 2.952) 9.074 7.912 ( 7.996 3.113 2.952) 9.074 8.422 ( 0.381 -5.629 -0.342) 5.652 8.422 ( 0.381 5.629 -0.342) 5.652 8.725 ( -7.510 -5.009 6.095) 10.892 8.725 ( -7.510 5.009 6.095) 10.892 9.404 ( 2.937 -10.753 3.523) 11.691 9.404 ( 2.937 10.753 3.523) 11.691 10.233 ( -0.499 -5.469 -2.599) 6.076 10.233 ( -0.499 5.469 -2.599) 6.076 10.586 ( -0.689 -6.914 2.591) 7.416 10.586 ( -0.689 6.914 2.591) 7.416 10.823 ( -13.808 -19.429 7.544) 25.001 10.823 ( -13.808 19.429 7.544) 25.001 11.047 ( 2.954 -5.614 -1.141) 6.445 11.047 ( 2.954 5.614 -1.141) 6.445 12.347 ( 2.635 -8.655 -5.673) 10.679 12.347 ( 2.635 8.655 -5.673) 10.679 12.810 ( -2.307 -6.520 -1.484) 7.073 12.810 ( -2.307 6.520 -1.484) 7.073 13.837 ( 3.935 -5.799 2.424) 7.415 13.837 ( 3.935 5.799 2.424) 7.415 14.522 ( -2.434 -5.536 -0.895) 6.113 14.522 ( -2.434 5.536 -0.895) 6.113 16.029 ( 1.232 -7.500 1.766) 7.803 16.029 ( 1.232 7.500 1.766) 7.803 16.626 ( -7.882 -1.926 -1.054) 8.182 16.626 ( -7.882 1.926 -1.054) 8.182 18.468 ( 1.110 -2.872 1.197) 3.304 18.468 ( 1.110 2.872 1.197) 3.304 19.554 ( 7.230 -10.421 -3.640) 13.195 19.554 ( 7.230 10.421 -3.640) 13.195 ======================= Grid point 208 (112/205) ======================= q-point: (-0.44 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( -2.590 -9.038 -8.204) 12.477 2.355 ( -2.590 9.038 -8.204) 12.477 2.598 ( -9.347 -11.344 2.769) 14.957 2.598 ( -9.347 11.344 2.769) 14.957 3.576 ( 0.744 -4.186 -0.742) 4.316 3.576 ( 0.744 4.186 -0.742) 4.316 3.781 ( -2.527 -1.299 5.978) 6.619 3.781 ( -2.527 1.299 5.978) 6.619 4.761 ( -4.090 -1.668 -3.018) 5.349 4.761 ( -4.090 1.668 -3.018) 5.349 5.618 ( -1.154 -4.572 -7.955) 9.248 5.618 ( -1.154 4.572 -7.955) 9.248 6.455 ( -0.493 -4.663 -2.033) 5.111 6.455 ( -0.493 4.663 -2.033) 5.111 6.970 ( -0.407 -10.268 2.546) 10.587 6.970 ( -0.407 10.268 2.546) 10.587 8.112 ( 7.848 -0.625 5.677) 9.706 8.112 ( 7.848 0.625 5.677) 9.706 8.392 ( -2.556 -0.948 -3.167) 4.179 8.392 ( -2.556 0.948 -3.167) 4.179 8.663 ( -5.620 -6.285 6.241) 10.490 8.663 ( -5.620 6.285 6.241) 10.490 9.453 ( 1.584 -11.590 -0.235) 11.700 9.453 ( 1.584 11.590 -0.235) 11.700 10.190 ( -1.887 -9.781 -3.377) 10.518 10.190 ( -1.887 9.781 -3.377) 10.518 10.537 ( -7.460 -15.269 5.415) 17.835 10.537 ( -7.460 15.269 5.415) 17.835 10.801 ( 4.503 -3.328 1.857) 5.900 10.801 ( 4.503 3.328 1.857) 5.900 11.211 ( 12.069 -5.039 6.929) 14.801 11.211 ( 12.069 5.039 6.929) 14.801 12.389 ( 6.947 -6.756 -3.198) 10.204 12.389 ( 6.947 6.756 -3.198) 10.204 12.681 ( -7.514 -7.251 -6.454) 12.275 12.681 ( -7.514 7.251 -6.454) 12.275 13.950 ( 4.927 -4.406 4.877) 8.214 13.950 ( 4.927 4.406 4.877) 8.214 14.445 ( -4.326 -6.036 -2.314) 7.778 14.445 ( -4.326 6.036 -2.314) 7.778 16.093 ( 2.167 -8.800 2.820) 9.492 16.093 ( 2.167 8.800 2.820) 9.492 16.533 ( 0.344 -0.502 -2.434) 2.509 16.533 ( 0.344 0.502 -2.434) 2.509 18.474 ( -2.104 -3.352 1.239) 4.147 18.474 ( -2.104 3.352 1.239) 4.147 19.607 ( 2.847 -11.602 -3.211) 12.370 19.607 ( 2.847 11.602 -3.211) 12.370 ======================= Grid point 210 (113/205) ======================= q-point: (-0.33 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( -2.559 -13.756 -5.263) 14.950 2.245 ( -2.559 13.756 -5.263) 14.950 2.422 ( -8.587 -13.821 -3.897) 16.732 2.422 ( -8.587 13.821 -3.897) 16.732 3.584 ( -5.450 -6.102 8.701) 11.943 3.584 ( -5.450 6.102 8.701) 11.943 3.808 ( 0.083 -4.466 3.019) 5.392 3.808 ( 0.083 4.466 3.019) 5.392 4.626 ( -8.670 -3.386 -0.356) 9.314 4.626 ( -8.670 3.386 -0.356) 9.314 5.451 ( -6.133 -1.638 -11.181) 12.858 5.451 ( -6.133 1.638 -11.181) 12.858 6.430 ( -1.760 -5.346 1.014) 5.719 6.430 ( -1.760 5.346 1.014) 5.719 6.986 ( -0.001 -10.587 1.435) 10.683 6.986 ( -0.001 10.587 1.435) 10.683 8.108 ( -10.074 -9.097 -4.342) 14.251 8.108 ( -10.074 9.097 -4.342) 14.251 8.399 ( 4.178 -4.704 4.500) 7.735 8.399 ( 4.178 4.704 4.500) 7.735 8.663 ( -2.418 -4.822 5.349) 7.597 8.663 ( -2.418 4.822 5.349) 7.597 9.494 ( 4.427 -11.227 0.248) 12.071 9.494 ( 4.427 11.227 0.248) 12.071 10.053 ( -10.401 -6.901 -2.586) 12.747 10.053 ( -10.401 6.901 -2.586) 12.747 10.585 ( 5.717 -19.566 7.216) 21.624 10.585 ( 5.717 19.566 7.216) 21.624 10.928 ( 11.897 -10.939 -5.808) 17.174 10.928 ( 11.897 10.939 -5.808) 17.174 11.552 ( 15.967 -3.659 10.925) 19.690 11.552 ( 15.967 3.659 10.925) 19.690 12.392 ( -7.113 -2.762 -9.047) 11.836 12.392 ( -7.113 2.762 -9.047) 11.836 12.541 ( 2.862 -10.151 -0.554) 10.561 12.541 ( 2.862 10.151 -0.554) 10.561 14.084 ( 3.868 -4.976 4.371) 7.670 14.084 ( 3.868 4.976 4.371) 7.670 14.353 ( -2.590 -5.854 -1.916) 6.682 14.353 ( -2.590 5.854 -1.916) 6.682 16.119 ( -0.698 -11.128 0.286) 11.153 16.119 ( -0.698 11.128 0.286) 11.154 16.617 ( 9.763 -1.822 0.623) 9.951 16.617 ( 9.763 1.822 0.623) 9.951 18.422 ( -4.956 -2.704 0.691) 5.688 18.422 ( -4.956 2.704 0.691) 5.688 19.582 ( -1.409 -11.474 -4.233) 12.311 19.582 ( -1.409 11.474 -4.233) 12.311 ======================= Grid point 212 (114/205) ======================= q-point: (-0.22 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( -4.842 -3.507 -1.383) 6.136 2.146 ( -4.842 3.506 -1.383) 6.136 2.294 ( -3.447 -5.230 0.123) 6.265 2.294 ( -3.447 5.230 0.123) 6.265 3.544 ( -10.745 -7.116 10.412) 16.568 3.544 ( -10.745 7.116 10.412) 16.568 3.833 ( 1.381 -5.726 -1.039) 5.981 3.833 ( 1.381 5.726 -1.039) 5.981 4.494 ( -7.899 -5.174 3.052) 9.923 4.494 ( -7.899 5.174 3.052) 9.923 5.228 ( -5.372 -2.916 -10.859) 12.462 5.228 ( -5.372 2.916 -10.859) 12.462 6.417 ( -1.679 -5.330 2.160) 5.992 6.417 ( -1.679 5.330 2.160) 5.992 7.001 ( 0.570 -10.058 0.512) 10.087 7.001 ( 0.570 10.058 0.512) 10.087 7.868 ( -9.861 -7.893 -4.556) 13.427 7.868 ( -9.861 7.893 -4.556) 13.427 8.490 ( -0.291 -7.591 4.987) 9.088 8.490 ( -0.291 7.591 4.987) 9.088 8.665 ( -3.029 -3.091 4.464) 6.217 8.665 ( -3.029 3.091 4.464) 6.217 9.601 ( 3.368 -15.660 0.484) 16.025 9.601 ( 3.368 15.660 0.484) 16.025 9.838 ( -8.127 -12.104 -1.380) 14.644 9.838 ( -8.127 12.104 -1.380) 14.644 10.817 ( 11.326 -20.388 6.770) 24.286 10.817 ( 11.326 20.388 6.770) 24.286 11.066 ( 13.749 -12.873 -11.273) 21.951 11.066 ( 13.749 12.873 -11.273) 21.951 11.925 ( 13.786 -4.810 7.879) 16.591 11.925 ( 13.786 4.810 7.879) 16.591 12.152 ( -5.893 -3.631 -7.857) 10.472 12.152 ( -5.893 3.631 -7.857) 10.472 12.592 ( -1.605 -4.598 3.677) 6.102 12.592 ( -1.605 4.598 3.677) 6.102 14.097 ( -2.692 -9.382 -2.877) 10.176 14.097 ( -2.692 9.382 -2.877) 10.176 14.380 ( 4.136 -5.261 3.050) 7.354 14.380 ( 4.136 5.261 3.050) 7.354 16.111 ( 0.819 -13.625 -0.822) 13.674 16.111 ( 0.819 13.625 -0.822) 13.674 16.825 ( 10.625 -3.524 3.883) 11.848 16.825 ( 10.625 3.524 3.883) 11.848 18.330 ( -5.596 -1.691 -0.065) 5.846 18.330 ( -5.596 1.691 -0.065) 5.846 19.476 ( -4.345 -9.714 -6.597) 12.520 19.476 ( -4.345 9.714 -6.597) 12.520 ======================= Grid point 214 (115/205) ======================= q-point: (-0.11 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -3.190 -12.516 1.906) 13.056 2.081 ( -3.190 12.516 1.906) 13.056 2.302 ( -0.877 -13.287 9.154) 16.159 2.302 ( -0.877 13.287 9.154) 16.159 3.451 ( -9.291 -11.200 7.329) 16.293 3.451 ( -9.291 11.200 7.329) 16.293 3.828 ( 1.049 -4.919 -4.284) 6.607 3.828 ( 1.049 4.919 -4.284) 6.607 4.415 ( -5.833 -6.780 4.043) 9.815 4.415 ( -5.833 6.780 4.043) 9.815 5.093 ( 0.633 -6.775 -6.704) 9.552 5.093 ( 0.633 6.775 -6.704) 9.552 6.416 ( -0.037 -5.404 0.580) 5.436 6.416 ( -0.037 5.404 0.580) 5.436 7.011 ( -0.242 -9.939 0.662) 9.964 7.011 ( -0.242 9.939 0.662) 9.964 7.737 ( -1.292 -7.343 -1.240) 7.558 7.737 ( -1.292 7.343 -1.240) 7.558 8.488 ( -2.998 -9.722 0.591) 10.191 8.488 ( -2.998 9.722 0.591) 10.191 8.669 ( -4.207 -6.113 8.918) 11.602 8.669 ( -4.207 6.113 8.918) 11.602 9.411 ( -12.514 -4.346 -10.836) 17.115 9.411 ( -12.514 4.346 -10.836) 17.115 9.939 ( 8.330 -11.149 8.691) 16.408 9.939 ( 8.330 11.149 8.691) 16.408 11.014 ( 4.945 -17.828 -3.666) 18.861 11.014 ( 4.945 17.828 -3.666) 18.861 11.188 ( 13.587 -12.075 -4.067) 18.626 11.188 ( 13.587 12.075 -4.067) 18.626 11.950 ( -1.976 -10.207 -4.428) 11.300 11.950 ( -1.976 10.207 -4.428) 11.300 12.274 ( 10.512 -3.074 3.006) 11.357 12.274 ( 10.512 3.074 3.006) 11.357 12.542 ( -8.465 -1.341 5.266) 10.059 12.542 ( -8.465 1.341 5.266) 10.059 14.004 ( -2.356 -10.595 -5.318) 12.087 14.004 ( -2.356 10.595 -5.318) 12.087 14.476 ( 2.645 -3.052 2.642) 4.827 14.476 ( 2.645 3.052 2.642) 4.827 16.133 ( 2.076 -15.059 -0.294) 15.204 16.133 ( 2.076 15.059 -0.294) 15.204 17.018 ( 5.194 -5.368 5.922) 9.532 17.018 ( 5.194 5.368 5.922) 9.532 18.258 ( -1.965 -1.733 -0.017) 2.620 18.258 ( -1.965 1.733 -0.017) 2.620 19.317 ( -4.020 -7.116 -9.390) 12.449 19.317 ( -4.020 7.116 -9.390) 12.449 ======================= Grid point 243 (116/205) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 0.118 0.000 17.212) 17.212 1.342 ( 4.607 0.000 16.320) 16.958 2.782 ( -8.939 0.000 1.000) 8.995 2.840 ( 1.836 0.000 37.592) 37.637 2.923 ( -1.323 0.000 -6.436) 6.571 2.945 ( -2.271 0.000 -2.657) 3.495 3.233 ( 0.163 0.000 -4.708) 4.711 4.151 ( -2.564 0.000 13.321) 13.565 4.199 ( 3.915 0.000 2.359) 4.570 4.570 ( 5.403 0.000 -10.891) 12.157 5.084 ( -4.969 0.000 2.841) 5.724 5.443 ( 7.327 0.000 -8.566) 11.272 6.182 ( 0.923 0.000 -5.228) 5.309 6.374 ( 0.639 0.000 -6.867) 6.897 7.079 ( 1.603 0.000 -2.828) 3.250 7.367 ( -6.879 0.000 -2.428) 7.295 7.617 ( -6.085 0.000 2.175) 6.461 7.828 ( 0.262 0.000 -1.255) 1.282 8.342 ( 8.749 0.000 2.463) 9.089 8.444 ( -2.060 0.000 -0.334) 2.087 8.754 ( -9.397 0.000 18.649) 20.883 9.038 ( 15.211 0.000 16.904) 22.740 9.165 ( -9.792 0.000 -0.880) 9.832 9.333 ( 10.145 0.000 10.219) 14.400 9.888 ( -2.685 0.000 -25.429) 25.571 10.140 ( -1.043 0.000 -6.056) 6.145 10.363 ( 6.357 0.000 -7.098) 9.528 10.759 ( -4.197 0.000 -7.931) 8.973 11.102 ( -7.539 0.000 -3.340) 8.246 11.127 ( 8.927 0.000 -9.149) 12.783 11.725 ( 6.911 0.000 -3.724) 7.850 11.883 ( -15.974 0.000 -5.328) 16.840 13.176 ( -11.774 0.000 1.631) 11.886 13.240 ( 10.919 0.000 -1.896) 11.083 13.354 ( 8.078 0.000 6.585) 10.422 13.497 ( -17.738 0.000 0.313) 17.741 13.828 ( -23.158 0.000 0.665) 23.168 13.895 ( 18.782 0.000 -1.008) 18.809 14.752 ( 4.380 0.000 3.327) 5.500 14.837 ( -5.431 0.000 -0.170) 5.434 15.136 ( -9.069 0.000 13.699) 16.429 15.750 ( 14.446 0.000 -8.799) 16.915 16.795 ( -10.667 0.000 -1.463) 10.767 16.863 ( 9.066 0.000 -2.619) 9.437 18.239 ( -1.919 0.000 -1.231) 2.280 18.253 ( 7.796 0.000 -1.317) 7.906 18.632 ( -16.043 0.000 2.553) 16.245 18.652 ( 21.552 0.000 2.089) 21.653 ======================= Grid point 244 (117/205) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 15.671 0.000 13.046) 20.391 1.692 ( 18.988 0.000 9.074) 21.044 2.697 ( -6.773 0.000 10.072) 12.138 2.838 ( -4.882 0.000 -0.824) 4.951 2.903 ( 5.687 0.000 -7.924) 9.754 3.108 ( -4.015 0.000 -10.566) 11.303 3.384 ( 16.221 0.000 29.788) 33.918 4.263 ( 0.876 0.000 10.704) 10.739 4.326 ( 5.270 0.000 5.863) 7.884 4.566 ( 9.522 0.000 -14.146) 17.052 4.964 ( -10.733 0.000 0.137) 10.734 5.442 ( 3.720 0.000 -9.912) 10.587 6.166 ( 0.938 0.000 -1.102) 1.447 6.290 ( -0.403 0.000 -9.198) 9.207 7.166 ( 7.318 0.000 5.520) 9.166 7.191 ( -5.575 0.000 -8.165) 9.887 7.561 ( -3.038 0.000 2.674) 4.047 7.881 ( 6.470 0.000 -0.436) 6.485 8.294 ( -11.499 0.000 -3.397) 11.990 8.447 ( 0.046 0.000 0.865) 0.866 8.750 ( -15.987 0.000 21.222) 26.570 9.035 ( -6.003 0.000 4.569) 7.544 9.401 ( -2.769 0.000 11.383) 11.715 9.535 ( 5.652 0.000 1.043) 5.747 9.692 ( 9.418 0.000 -5.666) 10.991 10.075 ( 3.751 0.000 -12.555) 13.103 10.403 ( 5.983 0.000 -5.747) 8.296 10.668 ( 4.764 0.000 -10.480) 11.512 10.934 ( -5.656 0.000 -2.618) 6.232 11.226 ( 12.405 0.000 -5.907) 13.739 11.554 ( -17.492 0.000 -4.337) 18.022 11.851 ( 5.683 0.000 3.530) 6.690 12.955 ( -13.593 0.000 1.120) 13.639 13.062 ( -25.017 0.000 5.355) 25.583 13.467 ( 7.283 0.000 2.095) 7.578 13.558 ( 7.446 0.000 5.066) 9.006 13.558 ( -8.648 0.000 -0.307) 8.654 14.137 ( 10.719 0.000 -1.981) 10.900 14.692 ( -10.481 0.000 -0.156) 10.482 14.805 ( -3.881 0.000 2.050) 4.389 15.177 ( 0.793 0.000 12.092) 12.118 15.845 ( 8.339 0.000 -9.747) 12.827 16.563 ( -13.496 0.000 -0.895) 13.526 16.943 ( 1.441 0.000 -1.089) 1.806 18.224 ( 2.379 0.000 -1.332) 2.727 18.419 ( -9.699 0.000 0.226) 9.702 18.476 ( 18.639 0.000 -5.834) 19.531 19.072 ( 25.597 0.000 -1.258) 25.627 ======================= Grid point 245 (118/205) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( 23.767 0.000 7.948) 25.061 2.106 ( 22.809 0.000 -0.537) 22.816 2.690 ( -12.913 0.000 12.432) 17.925 2.804 ( -8.148 0.000 -9.528) 12.537 2.831 ( 3.873 0.000 10.651) 11.333 3.036 ( 8.450 0.000 -8.980) 12.331 3.916 ( 16.781 0.000 14.855) 22.412 4.373 ( 1.487 0.000 5.822) 6.009 4.464 ( 5.962 0.000 1.594) 6.172 4.624 ( 13.676 0.000 -13.597) 19.285 4.738 ( -15.098 0.000 0.859) 15.123 5.377 ( 1.442 0.000 -11.233) 11.325 6.193 ( 1.375 0.000 2.615) 2.955 6.195 ( -0.024 0.000 -7.723) 7.724 7.059 ( -1.165 0.000 -5.592) 5.712 7.401 ( 7.294 0.000 11.560) 13.668 7.587 ( 2.444 0.000 4.915) 5.489 8.001 ( 6.498 0.000 -0.133) 6.499 8.017 ( -16.064 0.000 -3.094) 16.359 8.324 ( -11.309 0.000 -3.815) 11.936 8.668 ( -14.120 0.000 16.587) 21.783 9.090 ( 6.527 0.000 4.761) 8.079 9.282 ( -8.861 0.000 0.795) 8.897 9.547 ( -1.208 0.000 -4.687) 4.840 9.933 ( 6.223 0.000 9.002) 10.943 9.992 ( 3.611 0.000 -16.959) 17.339 10.400 ( -5.101 0.000 1.382) 5.285 10.744 ( 14.924 0.000 -6.632) 16.331 10.914 ( 2.920 0.000 2.842) 4.075 11.175 ( -18.396 0.000 -5.237) 19.127 11.453 ( 14.735 0.000 -0.075) 14.736 11.943 ( -1.331 0.000 6.921) 7.047 12.737 ( -13.166 0.000 -0.288) 13.169 12.804 ( -10.536 0.000 4.894) 11.617 13.378 ( -7.150 0.000 0.177) 7.153 13.687 ( 10.591 0.000 1.364) 10.679 13.707 ( 4.648 0.000 3.955) 6.103 14.232 ( 3.144 0.000 -0.880) 3.265 14.498 ( -12.617 0.000 1.663) 12.726 14.676 ( -10.565 0.000 0.420) 10.573 15.373 ( 7.938 0.000 7.410) 10.859 15.857 ( 4.975 0.000 -9.548) 10.767 16.354 ( -10.486 0.000 0.823) 10.518 16.863 ( -9.383 0.000 -1.240) 9.464 18.315 ( 6.317 0.000 2.106) 6.659 18.329 ( 0.540 0.000 0.696) 0.881 18.698 ( 16.262 0.000 -10.214) 19.204 19.470 ( 23.716 0.000 -3.390) 23.957 ======================= Grid point 246 (119/205) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 17.715 0.000 -5.752) 18.626 2.475 ( 20.880 0.000 -3.643) 21.196 2.534 ( -14.616 0.000 5.610) 15.656 2.542 ( -11.957 0.000 -2.176) 12.153 3.127 ( 11.399 0.000 -5.520) 12.665 3.133 ( 8.006 0.000 24.031) 25.329 4.105 ( -1.374 0.000 -9.324) 9.425 4.423 ( -4.136 0.000 6.265) 7.507 4.549 ( 0.922 0.000 1.972) 2.176 4.582 ( -3.856 0.000 7.641) 8.559 4.735 ( 17.932 0.000 -17.924) 25.354 5.268 ( -0.047 0.000 -12.703) 12.703 6.154 ( 1.673 0.000 -2.846) 3.301 6.257 ( 1.321 0.000 4.659) 4.843 7.031 ( 0.835 0.000 -0.569) 1.011 7.564 ( -0.856 0.000 10.453) 10.488 7.645 ( -8.816 0.000 -0.234) 8.819 7.816 ( 0.787 0.000 3.784) 3.865 7.951 ( -15.092 0.000 -0.911) 15.120 8.185 ( 5.969 0.000 -6.074) 8.516 8.690 ( -0.401 0.000 15.098) 15.103 9.163 ( -6.117 0.000 1.455) 6.288 9.327 ( 17.172 0.000 0.645) 17.184 9.427 ( -8.108 0.000 -2.670) 8.537 9.831 ( -3.596 0.000 -15.592) 16.001 10.054 ( -0.695 0.000 6.477) 6.515 10.298 ( -8.814 0.000 6.545) 10.978 10.811 ( -10.961 0.000 -8.717) 14.005 11.011 ( 12.760 0.000 4.648) 13.580 11.025 ( 3.315 0.000 5.002) 6.001 11.724 ( 14.560 0.000 2.301) 14.741 11.972 ( -1.784 0.000 5.749) 6.020 12.480 ( -14.787 0.000 -3.942) 15.304 12.729 ( -5.105 0.000 0.055) 5.105 13.352 ( 4.194 0.000 3.118) 5.226 13.786 ( 0.400 0.000 2.733) 2.762 13.849 ( 6.607 0.000 0.724) 6.647 14.267 ( 3.015 0.000 -0.907) 3.148 14.320 ( -11.282 0.000 4.557) 12.168 14.507 ( -8.812 0.000 0.099) 8.813 15.530 ( 3.198 0.000 2.432) 4.018 15.828 ( 3.090 0.000 -9.338) 9.836 16.232 ( -5.403 0.000 1.878) 5.720 16.633 ( -13.757 0.000 -2.213) 13.933 18.345 ( 2.156 0.000 0.861) 2.321 18.558 ( 11.040 0.000 10.645) 15.336 18.816 ( 10.890 0.000 -12.112) 16.288 19.804 ( 20.461 0.000 -5.533) 21.196 ======================= Grid point 247 (120/205) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.241 ( -18.168 0.000 0.616) 18.179 2.270 ( -22.659 0.000 9.779) 24.679 2.664 ( 19.379 0.000 -12.153) 22.874 2.715 ( 12.924 0.000 -12.278) 17.826 3.358 ( 17.143 0.000 2.441) 17.315 3.502 ( 4.752 0.000 22.155) 22.659 3.843 ( -12.455 0.000 -9.560) 15.701 4.306 ( -18.362 0.000 9.741) 20.786 4.505 ( -8.087 0.000 1.220) 8.179 4.670 ( 5.127 0.000 0.459) 5.148 4.874 ( 19.761 0.000 -18.549) 27.103 5.115 ( -2.362 0.000 -13.675) 13.878 6.183 ( 1.900 0.000 1.605) 2.487 6.324 ( 1.297 0.000 4.069) 4.271 7.056 ( 0.157 0.000 3.322) 3.325 7.464 ( -8.475 0.000 0.392) 8.484 7.603 ( -1.987 0.000 3.595) 4.108 7.676 ( -12.227 0.000 -2.812) 12.546 7.934 ( 3.737 0.000 5.756) 6.863 8.245 ( 5.249 0.000 -3.637) 6.386 8.921 ( 7.702 0.000 12.491) 14.674 9.114 ( 2.564 0.000 -4.153) 4.881 9.203 ( -18.476 0.000 1.894) 18.573 9.639 ( -0.166 0.000 -7.878) 7.880 9.663 ( 20.752 0.000 -1.696) 20.821 9.979 ( -12.277 0.000 1.003) 12.318 10.274 ( -5.001 0.000 10.796) 11.898 10.682 ( 2.579 0.000 -0.718) 2.678 11.091 ( -0.701 0.000 3.373) 3.445 11.279 ( 11.877 0.000 5.381) 13.039 11.974 ( 11.060 0.000 3.156) 11.502 12.012 ( 1.628 0.000 2.270) 2.793 12.169 ( -13.600 0.000 -7.355) 15.462 12.576 ( -8.831 0.000 -5.233) 10.265 13.549 ( 7.699 0.000 8.042) 11.133 13.790 ( -1.780 0.000 1.840) 2.561 13.942 ( 6.032 0.000 0.827) 6.089 14.223 ( -6.348 0.000 5.597) 8.463 14.313 ( 1.505 0.000 -2.739) 3.125 14.391 ( -3.311 0.000 0.395) 3.334 15.492 ( -9.263 0.000 -0.178) 9.265 15.780 ( 1.845 0.000 -8.161) 8.367 16.207 ( 0.380 0.000 1.769) 1.810 16.426 ( -6.087 0.000 -2.182) 6.467 18.390 ( 0.778 0.000 2.332) 2.458 18.828 ( 5.074 0.000 -12.020) 13.047 18.864 ( 7.531 0.000 16.091) 17.766 20.039 ( 15.881 0.000 -10.341) 18.951 ======================= Grid point 248 (121/205) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( -22.223 0.000 6.451) 23.140 1.984 ( -22.693 0.000 11.484) 25.433 2.754 ( 8.143 0.000 -11.701) 14.255 2.843 ( 15.402 0.000 -11.454) 19.194 3.389 ( -20.565 0.000 -7.112) 21.761 3.685 ( 16.769 0.000 1.537) 16.840 3.848 ( -1.075 0.000 20.403) 20.432 4.024 ( -24.872 0.000 11.065) 27.222 4.310 ( -14.132 0.000 -1.758) 14.241 4.746 ( 4.381 0.000 -0.184) 4.385 4.917 ( -4.408 0.000 -12.786) 13.524 5.017 ( 16.214 0.000 -14.210) 21.560 6.234 ( 0.905 0.000 3.605) 3.717 6.378 ( 1.677 0.000 1.034) 1.970 7.102 ( -0.531 0.000 6.629) 6.650 7.370 ( -4.334 0.000 1.161) 4.487 7.516 ( -3.335 0.000 -1.834) 3.806 7.617 ( 2.259 0.000 0.125) 2.262 8.023 ( -0.096 0.000 5.215) 5.216 8.278 ( 2.365 0.000 -2.882) 3.728 8.881 ( -20.695 0.000 4.576) 21.195 9.113 ( 6.035 0.000 1.332) 6.180 9.154 ( 8.319 0.000 -9.826) 12.874 9.615 ( -16.374 0.000 -1.239) 16.421 9.732 ( 10.706 0.000 4.978) 11.807 10.109 ( 26.818 0.000 -8.836) 28.236 10.321 ( -6.716 0.000 17.691) 18.923 10.760 ( 2.185 0.000 2.022) 2.977 11.074 ( -3.184 0.000 0.198) 3.190 11.488 ( 5.454 0.000 -0.134) 5.456 11.928 ( -3.814 0.000 1.654) 4.157 12.074 ( 4.588 0.000 0.286) 4.597 12.203 ( 12.017 0.000 1.273) 12.084 12.366 ( -7.188 0.000 -7.452) 10.354 13.650 ( -3.651 0.000 7.652) 8.479 13.773 ( -3.044 0.000 2.532) 3.959 14.105 ( 0.949 0.000 4.839) 4.931 14.166 ( -11.125 0.000 -7.047) 13.169 14.245 ( 9.437 0.000 3.694) 10.134 14.431 ( 5.559 0.000 -2.748) 6.202 15.277 ( -15.874 0.000 5.721) 16.873 15.730 ( 0.927 0.000 -6.294) 6.362 16.284 ( 6.780 0.000 1.691) 6.988 16.388 ( 3.640 0.000 -3.059) 4.755 18.410 ( -1.797 0.000 3.222) 3.689 18.748 ( -0.805 0.000 -10.776) 10.806 19.097 ( -0.533 0.000 16.783) 16.792 20.101 ( 7.879 0.000 -19.703) 21.220 ======================= Grid point 249 (122/205) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -24.003 0.000 11.654) 26.683 1.742 ( -21.313 0.000 13.867) 25.427 2.807 ( 8.195 0.000 -3.962) 9.103 2.874 ( -20.234 0.000 3.908) 20.608 3.009 ( 1.620 0.000 -10.452) 10.577 3.655 ( -26.124 0.000 9.487) 27.793 3.865 ( -5.768 0.000 0.083) 5.768 4.028 ( -4.106 0.000 16.335) 16.843 4.047 ( -2.430 0.000 -6.918) 7.332 4.740 ( -1.830 0.000 -10.357) 10.518 4.840 ( 4.880 0.000 3.585) 6.055 5.140 ( 12.714 0.000 -9.857) 16.087 6.292 ( 1.302 0.000 4.441) 4.627 6.387 ( 0.744 0.000 -3.766) 3.839 7.181 ( -0.657 0.000 11.247) 11.267 7.314 ( -3.501 0.000 -0.103) 3.503 7.533 ( 6.529 0.000 -0.269) 6.534 7.686 ( 3.770 0.000 3.027) 4.835 8.041 ( -1.601 0.000 1.407) 2.132 8.255 ( -1.534 0.000 -4.145) 4.419 8.665 ( -12.245 0.000 11.405) 16.734 9.051 ( -8.003 0.000 -11.392) 13.922 9.158 ( 2.291 0.000 -6.934) 7.303 9.478 ( 4.143 0.000 -4.601) 6.192 9.990 ( 7.813 0.000 10.840) 13.362 10.398 ( -5.669 0.000 16.350) 17.305 10.403 ( 19.615 0.000 -18.307) 26.831 10.781 ( 1.493 0.000 0.895) 1.741 11.010 ( -2.502 0.000 -0.298) 2.520 11.403 ( -5.635 0.000 -7.035) 9.014 12.137 ( -3.987 0.000 -3.241) 5.138 12.142 ( 15.969 0.000 10.300) 19.002 12.279 ( 12.459 0.000 -1.737) 12.580 12.426 ( 11.912 0.000 1.207) 11.973 13.681 ( -0.904 0.000 9.361) 9.404 13.707 ( -12.070 0.000 1.879) 12.216 13.819 ( -12.860 0.000 -10.843) 16.821 14.063 ( -6.766 0.000 3.483) 7.610 14.496 ( 4.860 0.000 -1.839) 5.197 14.515 ( 13.040 0.000 2.438) 13.266 15.144 ( -10.954 0.000 13.267) 17.205 15.681 ( -0.491 0.000 -4.418) 4.445 16.457 ( 8.300 0.000 -4.321) 9.357 16.475 ( 12.897 0.000 2.490) 13.135 18.396 ( -3.702 0.000 3.261) 4.933 18.590 ( -5.757 0.000 -8.655) 10.395 19.172 ( -8.968 0.000 13.943) 16.578 19.852 ( -7.895 0.000 -32.135) 33.090 ======================= Grid point 250 (123/205) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -22.123 0.000 16.213) 27.428 1.506 ( -23.858 0.000 14.673) 28.009 2.540 ( -26.104 0.000 22.840) 34.686 2.953 ( 8.522 0.000 3.242) 9.118 3.024 ( 6.959 0.000 -11.134) 13.130 3.317 ( -22.874 0.000 6.851) 23.878 3.522 ( -21.413 0.000 -3.843) 21.755 4.076 ( -7.002 0.000 13.245) 14.982 4.097 ( 7.593 0.000 -6.376) 9.915 4.645 ( 1.551 0.000 -8.915) 9.049 4.973 ( 4.193 0.000 6.149) 7.442 5.257 ( 11.436 0.000 -7.524) 13.690 6.331 ( -0.146 0.000 -7.762) 7.764 6.362 ( 2.088 0.000 2.639) 3.365 7.236 ( -3.382 0.000 -3.623) 4.956 7.307 ( -0.564 0.000 15.073) 15.084 7.726 ( 13.698 0.000 3.162) 14.058 7.769 ( -3.202 0.000 7.390) 8.054 8.054 ( 5.941 0.000 1.652) 6.166 8.130 ( -5.991 0.000 -6.555) 8.880 8.709 ( -2.084 0.000 17.908) 18.029 8.815 ( -5.874 0.000 -7.070) 9.192 9.060 ( -3.979 0.000 -6.434) 7.565 9.490 ( 2.651 0.000 -9.559) 9.919 10.191 ( 1.968 0.000 12.276) 12.433 10.355 ( 3.409 0.000 -22.647) 22.902 10.381 ( -5.793 0.000 -0.843) 5.854 10.898 ( 10.412 0.000 -2.962) 10.826 11.048 ( 4.213 0.000 4.108) 5.884 11.231 ( -6.001 0.000 -7.921) 9.938 11.963 ( -6.390 0.000 -9.517) 11.463 12.478 ( 7.214 0.000 -8.421) 11.089 12.619 ( 12.539 0.000 10.480) 16.341 12.646 ( 23.745 0.000 3.420) 23.990 13.399 ( -9.624 0.000 -0.535) 9.639 13.666 ( -7.498 0.000 0.911) 7.553 13.802 ( 1.299 0.000 4.085) 4.287 14.035 ( 1.665 0.000 9.359) 9.506 14.564 ( 4.333 0.000 0.086) 4.334 14.693 ( 7.419 0.000 -0.790) 7.461 15.135 ( -7.941 0.000 14.783) 16.781 15.618 ( -2.471 0.000 -2.996) 3.883 16.573 ( 10.653 0.000 -4.775) 11.674 16.740 ( 13.305 0.000 2.483) 13.535 18.354 ( -4.463 0.000 2.380) 5.058 18.409 ( -5.904 0.000 -4.877) 7.658 19.084 ( -14.993 0.000 9.856) 17.943 19.177 ( -29.328 0.000 -33.295) 44.370 ======================= Grid point 251 (124/205) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( -14.654 0.000 18.674) 23.737 1.282 ( -18.429 0.000 18.331) 25.994 2.519 ( -9.749 0.000 32.989) 34.399 2.971 ( -8.295 0.000 -1.629) 8.453 3.049 ( -8.529 0.000 -1.844) 8.726 3.065 ( -3.829 0.000 -1.918) 4.283 3.224 ( -3.653 0.000 -0.108) 3.654 4.091 ( -6.200 0.000 13.339) 14.709 4.143 ( 4.518 0.000 -3.934) 5.991 4.597 ( 3.097 0.000 -8.757) 9.289 5.078 ( 0.457 0.000 5.488) 5.507 5.370 ( 10.356 0.000 -7.391) 12.723 6.243 ( 0.163 0.000 -8.460) 8.462 6.399 ( 1.669 0.000 -2.046) 2.640 7.136 ( -2.117 0.000 -5.791) 6.166 7.420 ( -3.002 0.000 9.754) 10.206 7.711 ( -7.849 0.000 3.609) 8.639 7.887 ( -3.357 0.000 -1.623) 3.728 8.110 ( 13.260 0.000 2.705) 13.533 8.299 ( 12.883 0.000 6.674) 14.509 8.757 ( 4.261 0.000 1.544) 4.532 8.784 ( -10.267 0.000 11.349) 15.303 9.062 ( 6.495 0.000 9.511) 11.517 9.359 ( -6.213 0.000 -8.228) 10.310 10.157 ( 2.150 0.000 -25.710) 25.800 10.245 ( -5.473 0.000 -3.342) 6.412 10.310 ( 3.163 0.000 2.066) 3.778 10.943 ( -5.779 0.000 -4.523) 7.339 11.087 ( 5.975 0.000 -11.292) 12.776 11.157 ( 2.400 0.000 2.028) 3.142 11.765 ( -2.452 0.000 -11.418) 11.678 12.229 ( -15.345 0.000 -9.958) 18.293 13.009 ( 16.255 0.000 8.552) 18.368 13.017 ( 17.260 0.000 -0.983) 17.288 13.398 ( -6.209 0.000 4.858) 7.884 13.610 ( 8.689 0.000 0.023) 8.689 13.720 ( -8.766 0.000 -1.196) 8.848 14.163 ( -6.110 0.000 -1.094) 6.207 14.648 ( 4.258 0.000 2.125) 4.759 14.821 ( 7.388 0.000 1.241) 7.492 15.147 ( -8.429 0.000 14.361) 16.652 15.591 ( 6.165 0.000 -2.818) 6.778 16.717 ( 11.390 0.000 -4.152) 12.123 16.894 ( 1.353 0.000 0.146) 1.361 18.296 ( -4.015 0.000 0.663) 4.070 18.362 ( 0.795 0.000 -0.560) 0.972 18.437 ( -17.836 0.000 -9.959) 20.428 18.882 ( -17.524 0.000 5.909) 18.494 ======================= Grid point 252 (125/205) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 5.496 15.442 16.845) 23.503 1.528 ( -1.648 16.403 15.541) 22.657 2.728 ( -6.861 -3.602 15.915) 17.702 2.896 ( 3.855 1.816 2.107) 4.754 2.939 ( -3.485 7.809 -4.919) 9.865 3.164 ( -1.338 15.358 12.515) 19.856 3.232 ( -1.628 0.300 -3.814) 4.158 4.084 ( -2.442 -5.997 11.161) 12.904 4.190 ( 3.265 -1.259 3.150) 4.709 4.576 ( 5.436 0.768 -11.308) 12.570 5.047 ( -4.183 -3.235 4.003) 6.632 5.402 ( 7.437 -3.815 -8.269) 11.758 6.188 ( 0.834 0.699 -4.612) 4.739 6.388 ( 0.427 1.345 -6.990) 7.131 6.996 ( 0.045 -6.910 -1.017) 6.984 7.337 ( -4.766 -1.683 -3.098) 5.928 7.622 ( -1.044 -1.106 2.083) 2.578 7.835 ( -3.131 1.511 -4.157) 5.419 8.303 ( 10.268 -4.960 3.566) 11.948 8.437 ( -8.321 -0.881 -1.947) 8.591 8.715 ( -5.633 -1.379 11.459) 12.843 9.049 ( 7.187 1.407 15.098) 16.781 9.203 ( 3.851 5.552 4.809) 8.294 9.491 ( -1.140 8.111 8.391) 11.726 9.666 ( -1.855 -13.162 -14.652) 19.783 10.274 ( 3.597 6.771 -7.299) 10.585 10.395 ( 1.902 4.339 -6.424) 7.982 10.847 ( -0.303 6.558 -4.919) 8.203 11.126 ( 7.454 1.450 -9.366) 12.058 11.221 ( -7.694 10.936 -6.349) 14.802 11.735 ( 5.633 0.017 -2.580) 6.196 11.917 ( -12.300 3.304 -5.737) 13.968 12.889 ( -1.798 -24.820 6.465) 25.711 13.054 ( -10.984 -14.493 -0.540) 18.193 13.224 ( -2.510 -17.376 5.259) 18.327 13.339 ( 4.245 -8.490 0.515) 9.506 13.757 ( -11.708 -6.276 3.342) 13.699 13.969 ( 8.343 2.340 -3.511) 9.350 14.545 ( 7.481 -7.679 6.334) 12.452 14.740 ( -5.373 -4.657 0.059) 7.110 15.328 ( -1.733 15.236 13.374) 20.347 16.103 ( 3.395 18.062 -15.523) 24.057 16.834 ( -9.014 3.791 0.217) 9.781 16.981 ( 6.552 11.021 -3.825) 13.380 18.234 ( 6.627 -0.870 -0.242) 6.688 18.289 ( -3.742 3.788 -2.692) 5.966 18.615 ( 5.255 0.810 2.898) 6.055 18.749 ( 2.708 6.779 -2.021) 7.575 ======================= Grid point 253 (126/205) ======================= q-point: ( 0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( 9.705 11.897 9.990) 18.317 1.857 ( 16.680 13.087 13.833) 25.315 2.732 ( -5.995 -1.930 8.354) 10.462 2.860 ( -0.833 7.452 -1.230) 7.599 2.954 ( 3.760 4.544 -4.918) 7.679 3.107 ( -3.109 -0.019 -9.810) 10.291 3.499 ( 13.561 10.356 23.921) 29.383 4.183 ( 1.165 -7.378 9.460) 12.053 4.316 ( 4.864 -1.457 7.124) 8.748 4.567 ( 9.314 0.518 -14.912) 17.590 4.957 ( -8.809 -0.528 0.511) 8.839 5.417 ( 4.793 -2.306 -9.049) 10.497 6.172 ( 0.564 0.723 -1.303) 1.593 6.313 ( 0.239 2.113 -8.404) 8.669 7.063 ( 4.221 -7.278 4.885) 9.729 7.189 ( -2.310 -2.156 -7.888) 8.498 7.603 ( -2.623 4.434 0.601) 5.187 7.849 ( 6.885 -2.849 -0.332) 7.459 8.201 ( -13.018 -6.188 -3.954) 14.946 8.439 ( -1.203 -3.420 5.468) 6.561 8.748 ( -6.217 1.442 12.131) 13.707 9.183 ( -4.783 6.726 -0.355) 8.261 9.347 ( 1.899 -1.684 17.275) 17.460 9.422 ( -4.250 -5.420 -4.877) 8.440 9.734 ( 9.601 1.643 6.949) 11.966 10.177 ( 0.197 7.747 -12.421) 14.641 10.417 ( 4.710 2.445 -4.302) 6.832 10.778 ( -1.134 8.531 -13.137) 15.705 10.971 ( -4.352 4.147 0.254) 6.016 11.271 ( 11.220 3.854 -6.004) 13.297 11.589 ( -16.848 3.098 -4.365) 17.678 11.890 ( 6.740 3.631 2.527) 8.062 12.807 ( -10.495 -14.705 2.862) 18.292 12.845 ( -16.469 -18.938 7.288) 26.134 13.188 ( -4.049 -15.912 3.052) 16.700 13.426 ( 5.647 -8.298 -0.817) 10.070 13.696 ( -0.526 1.759 2.967) 3.489 14.096 ( 8.314 -6.096 -2.954) 10.724 14.612 ( -7.421 -2.501 -1.481) 7.970 14.696 ( 2.549 -7.444 4.443) 9.035 15.405 ( -3.696 17.396 10.989) 20.906 16.011 ( 3.223 10.828 -11.622) 16.208 16.638 ( -12.600 7.003 0.640) 14.430 17.016 ( -0.591 6.653 -1.244) 6.794 18.247 ( 1.768 2.019 -1.928) 3.305 18.337 ( 0.482 -3.466 0.013) 3.499 18.596 ( 8.396 7.166 -5.302) 12.245 19.073 ( 24.495 0.161 -2.109) 24.586 ======================= Grid point 254 (127/205) ======================= q-point: ( 0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 18.321 3.299 2.283) 18.756 2.298 ( 20.247 11.709 8.653) 24.938 2.685 ( -10.973 -0.774 10.099) 14.933 2.816 ( -8.988 0.922 -9.201) 12.895 2.922 ( 4.859 8.767 8.058) 12.861 3.085 ( 8.331 4.732 -6.912) 11.814 3.945 ( 14.171 2.639 11.035) 18.153 4.288 ( 2.665 -7.626 3.766) 8.913 4.471 ( 3.887 -1.268 7.144) 8.231 4.577 ( 5.934 -1.444 -12.304) 13.736 4.810 ( -2.963 5.504 -3.413) 7.121 5.386 ( 3.085 0.842 -10.125) 10.618 6.172 ( 0.878 0.072 -2.161) 2.334 6.252 ( 0.634 3.548 -2.621) 4.456 7.029 ( -1.067 -2.958 -5.311) 6.172 7.331 ( 8.340 -6.254 10.814) 15.020 7.603 ( 2.320 2.297 2.140) 3.903 7.938 ( -12.133 -5.283 -3.796) 13.767 7.984 ( 6.143 -1.742 1.195) 6.496 8.393 ( -8.068 3.204 1.574) 8.822 8.666 ( -15.164 1.584 11.175) 18.903 9.177 ( 7.817 1.812 -4.295) 9.101 9.301 ( -6.828 2.014 2.422) 7.520 9.439 ( -4.741 -2.236 5.719) 7.758 9.965 ( 2.538 0.847 9.236) 9.616 10.080 ( 4.791 6.835 -12.513) 15.042 10.422 ( -2.741 2.560 -2.094) 4.295 10.650 ( 5.360 -4.888 -8.582) 11.237 11.009 ( 3.840 5.882 2.829) 7.573 11.194 ( -20.727 1.602 -2.569) 20.947 11.445 ( 9.958 -1.607 -0.961) 10.133 12.021 ( 3.393 6.675 5.129) 9.076 12.593 ( -12.474 -8.920 0.068) 15.335 12.773 ( -3.592 -9.410 6.470) 11.972 13.100 ( -8.426 -18.421 1.216) 20.293 13.542 ( 8.374 -10.678 -0.599) 13.583 13.737 ( 0.661 -0.851 2.725) 2.930 14.169 ( 2.265 -9.488 -0.202) 9.757 14.463 ( -6.301 1.970 -2.819) 7.178 14.726 ( -3.912 -1.165 3.519) 5.389 15.443 ( -0.740 10.230 4.676) 11.272 15.988 ( 4.380 8.701 -6.175) 11.534 16.449 ( -10.463 8.606 1.345) 13.615 16.909 ( -10.445 4.284 -1.354) 11.371 18.306 ( 2.433 -0.851 -0.172) 2.583 18.336 ( 5.309 1.003 2.233) 5.846 18.749 ( 14.523 4.537 -9.027) 17.692 19.451 ( 22.777 -1.877 -3.559) 23.129 ======================= Grid point 255 (128/205) ======================= q-point: ( 0.33 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( 18.092 -2.991 -4.246) 18.823 2.523 ( -13.719 0.285 -2.666) 13.979 2.573 ( -10.900 2.826 2.182) 11.470 2.673 ( 14.610 9.776 -0.896) 17.601 3.158 ( 10.480 3.435 3.979) 11.725 3.212 ( 7.757 6.846 13.491) 17.001 4.062 ( -2.628 -4.175 -9.195) 10.435 4.351 ( -3.159 -6.219 6.267) 9.377 4.521 ( 1.975 -2.678 -0.176) 3.332 4.584 ( 1.747 2.288 2.064) 3.542 4.848 ( 13.368 8.635 -12.026) 19.947 5.319 ( 1.892 4.751 -11.528) 12.611 6.166 ( 2.085 1.325 -2.269) 3.355 6.288 ( 1.193 2.927 4.391) 5.410 7.000 ( 0.562 -2.968 -0.382) 3.045 7.504 ( -0.330 -5.265 8.561) 10.056 7.662 ( -5.551 2.343 -1.566) 6.225 7.783 ( 2.749 -2.485 3.770) 5.286 8.028 ( -6.792 3.762 -0.381) 7.774 8.221 ( -3.347 5.113 -4.442) 7.555 8.658 ( -0.071 -1.614 15.133) 15.219 9.181 ( -1.100 -0.034 -3.922) 4.074 9.302 ( -4.423 -10.420 -0.039) 11.320 9.441 ( 8.959 11.232 3.624) 14.817 9.888 ( -8.331 5.313 -5.833) 11.474 10.120 ( -0.254 4.462 1.313) 4.658 10.304 ( -6.452 1.134 0.855) 6.607 10.718 ( 2.765 -9.332 -10.333) 14.195 10.919 ( -6.814 -0.406 11.088) 13.021 11.127 ( 5.675 3.023 2.685) 6.968 11.618 ( 9.468 -9.903 1.251) 13.758 12.090 ( -1.127 8.296 3.330) 9.010 12.397 ( -9.192 -4.474 -1.813) 10.383 12.769 ( -4.842 1.426 -0.718) 5.098 13.006 ( -1.865 -27.988 4.589) 28.422 13.666 ( 5.931 -13.645 -0.826) 14.902 13.765 ( 0.673 -2.629 2.696) 3.825 14.185 ( -0.675 -7.454 1.763) 7.689 14.370 ( -1.662 3.765 -2.104) 4.622 14.655 ( -7.136 6.139 2.155) 9.657 15.471 ( 0.450 2.383 1.002) 2.624 16.012 ( 3.966 10.488 -4.642) 12.136 16.313 ( -7.041 7.512 1.296) 10.377 16.663 ( -14.454 3.119 -2.446) 14.987 18.344 ( 2.499 0.014 0.866) 2.645 18.540 ( 10.138 -1.421 7.166) 12.496 18.872 ( 10.483 5.038 -8.346) 14.315 19.768 ( 19.450 -3.439 -5.409) 20.479 ======================= Grid point 256 (129/205) ======================= q-point: (-0.56 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( -18.674 -0.187 0.966) 18.700 2.358 ( -19.141 6.086 7.490) 21.436 2.563 ( 17.146 -5.395 -10.107) 20.621 2.803 ( 10.822 3.788 -15.038) 18.911 3.411 ( 15.540 4.269 4.110) 16.632 3.526 ( 3.421 2.366 18.953) 19.404 3.831 ( -9.681 -1.065 -6.356) 11.630 4.251 ( -17.077 -4.804 9.844) 20.288 4.536 ( -6.011 3.040 0.517) 6.755 4.640 ( 7.719 -1.620 -3.255) 8.532 4.951 ( 14.795 6.382 -15.762) 22.540 5.207 ( -1.065 8.351 -12.618) 15.169 6.200 ( 1.851 1.636 1.600) 2.943 6.354 ( 1.141 2.939 4.158) 5.218 7.020 ( -0.675 -3.563 3.901) 5.326 7.493 ( -6.833 -1.047 1.707) 7.121 7.575 ( -0.158 2.648 1.171) 2.900 7.795 ( -11.008 9.773 -3.481) 15.126 7.921 ( 4.733 -0.389 3.921) 6.159 8.235 ( 4.611 -2.165 -3.126) 5.976 8.854 ( 2.597 -1.750 10.296) 10.762 9.126 ( -10.523 0.352 5.783) 12.012 9.211 ( 3.242 -4.774 -2.898) 6.457 9.671 ( -0.913 3.666 -3.129) 4.905 9.736 ( 12.200 8.480 -1.849) 14.972 9.985 ( -10.361 1.019 -0.960) 10.455 10.299 ( -0.631 2.403 5.504) 6.039 10.657 ( 2.887 -2.983 -1.802) 4.525 10.995 ( -3.187 -6.490 7.870) 10.687 11.285 ( 9.853 -0.899 1.957) 10.086 11.770 ( 6.359 -15.881 0.139) 17.107 12.050 ( -3.563 1.725 1.565) 4.256 12.268 ( -4.164 7.495 -1.490) 8.702 12.588 ( -8.612 -0.255 -7.359) 11.331 13.107 ( 1.766 -30.931 9.568) 32.425 13.699 ( 0.882 -14.868 -2.592) 15.118 13.880 ( 8.503 -1.746 4.185) 9.637 14.203 ( 0.536 -2.671 2.298) 3.564 14.324 ( -4.175 0.816 -0.275) 4.263 14.543 ( -5.566 7.227 -1.800) 9.297 15.471 ( -3.168 4.453 3.128) 6.297 15.992 ( 0.093 13.752 -7.261) 15.551 16.252 ( -0.866 3.705 1.289) 4.017 16.439 ( -7.388 1.656 -2.041) 7.841 18.393 ( 0.879 0.269 2.314) 2.490 18.733 ( 5.506 -4.958 -0.609) 7.434 18.979 ( 6.204 6.878 4.462) 10.281 19.988 ( 14.797 -4.765 -9.699) 18.322 ======================= Grid point 257 (130/205) ======================= q-point: (-0.44 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.917 ( -20.484 0.706 6.433) 21.483 2.083 ( -21.517 6.908 7.670) 23.865 2.699 ( 9.446 -4.445 -9.250) 13.948 2.833 ( 12.422 -2.042 -14.315) 19.063 3.413 ( -17.355 2.367 -3.518) 17.866 3.721 ( 14.723 2.903 1.666) 15.099 3.874 ( -2.029 2.327 19.278) 19.523 3.997 ( -22.356 -2.161 9.832) 24.518 4.368 ( -12.396 5.391 -1.153) 13.567 4.725 ( 3.943 -1.515 0.120) 4.226 5.024 ( 2.803 6.718 -16.651) 18.172 5.039 ( 6.191 4.990 -10.561) 13.220 6.248 ( 0.578 1.315 3.635) 3.908 6.403 ( 1.154 2.503 1.130) 2.979 7.052 ( -2.303 -4.873 7.550) 9.276 7.405 ( -3.859 1.856 0.072) 4.283 7.593 ( -0.352 7.563 -1.564) 7.731 7.676 ( 1.998 6.544 -0.349) 6.851 8.013 ( 1.943 0.655 2.647) 3.348 8.254 ( 1.654 -4.428 -5.106) 6.958 8.846 ( -6.185 -1.594 -2.976) 7.047 9.009 ( -12.328 0.814 14.966) 19.407 9.307 ( 7.345 -0.401 -3.110) 7.987 9.621 ( -11.547 0.095 -4.354) 12.341 9.758 ( 11.482 5.556 2.823) 13.064 10.111 ( 16.799 1.895 -8.037) 18.719 10.358 ( -1.208 2.952 10.998) 11.451 10.731 ( 3.039 -2.659 2.720) 4.868 10.969 ( -3.785 -9.576 1.464) 10.401 11.411 ( 4.757 -6.325 -4.549) 9.129 11.870 ( 4.035 -4.692 7.812) 9.966 12.097 ( 5.759 -4.446 2.340) 7.642 12.208 ( -1.226 5.372 -1.315) 5.665 12.398 ( -1.784 1.353 -8.762) 9.043 13.213 ( -1.745 -28.007 11.089) 30.173 13.651 ( -2.177 -19.087 -5.928) 20.104 14.068 ( 1.045 -3.272 4.536) 5.690 14.176 ( -7.796 2.349 -1.631) 8.304 14.252 ( 3.001 -0.582 1.755) 3.524 14.480 ( 2.182 3.082 -2.210) 4.375 15.414 ( -10.352 12.346 7.947) 17.965 15.923 ( 2.876 15.006 -7.198) 16.890 16.313 ( 6.180 2.437 1.255) 6.760 16.383 ( 2.607 -0.246 -2.219) 3.432 18.413 ( -1.811 0.299 3.180) 3.672 18.714 ( -1.070 -3.067 -7.842) 8.488 19.137 ( -0.568 3.640 13.284) 13.785 20.044 ( 7.058 -5.245 -17.891) 19.935 ======================= Grid point 258 (131/205) ======================= q-point: (-0.33 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -20.747 3.283 11.679) 24.034 1.802 ( -21.278 5.281 10.085) 24.132 2.743 ( 4.402 -3.624 -3.414) 6.645 2.910 ( 7.457 -3.089 -8.548) 11.757 3.074 ( -18.296 9.507 3.272) 20.877 3.642 ( -24.877 -0.231 7.835) 26.083 3.902 ( 0.370 2.551 0.265) 2.591 4.021 ( -4.348 0.194 12.880) 13.596 4.135 ( -8.262 7.223 -2.499) 11.256 4.768 ( 0.090 0.487 -3.007) 3.047 4.869 ( -0.395 4.679 -3.727) 5.995 5.116 ( 11.490 -1.584 -10.460) 15.619 6.295 ( 0.272 0.357 3.787) 3.813 6.413 ( 1.123 2.618 -2.454) 3.760 7.094 ( -3.412 -6.731 9.928) 12.470 7.368 ( -0.864 2.910 0.265) 3.047 7.567 ( 0.786 3.312 -2.089) 3.994 7.802 ( 8.655 10.716 4.642) 14.536 8.030 ( -1.250 0.037 -2.041) 2.393 8.187 ( -2.190 -5.242 -4.310) 7.131 8.724 ( -6.664 2.397 3.799) 8.037 9.012 ( -1.644 -0.880 7.675) 7.898 9.219 ( -10.945 8.128 -4.249) 14.280 9.549 ( 7.772 -0.517 -9.527) 12.306 9.949 ( 3.547 0.651 2.887) 4.620 10.263 ( 4.967 -9.062 9.058) 13.741 10.411 ( 4.323 -2.471 -11.756) 12.767 10.789 ( 1.315 0.792 1.528) 2.166 10.934 ( 0.357 -7.281 -0.591) 7.314 11.430 ( 2.810 3.605 -2.579) 5.248 12.002 ( 4.521 -8.437 -0.038) 9.572 12.173 ( 0.683 0.020 1.374) 1.534 12.339 ( 16.158 -0.877 7.196) 17.710 12.417 ( 9.463 2.016 -3.249) 10.207 13.281 ( -3.464 -23.322 11.257) 26.127 13.457 ( -12.039 -25.895 -9.542) 30.109 13.893 ( -10.279 4.541 0.765) 11.263 14.154 ( -2.350 1.804 0.140) 2.966 14.321 ( 1.699 -3.887 0.314) 4.254 14.595 ( 8.803 -0.603 3.157) 9.372 15.299 ( -12.278 13.929 8.908) 20.594 15.963 ( 7.944 20.161 -4.516) 22.135 16.457 ( 8.582 0.274 -2.735) 9.012 16.488 ( 12.211 1.306 2.439) 12.521 18.396 ( -3.975 0.044 3.167) 5.083 18.572 ( -5.920 -1.762 -7.331) 9.586 19.190 ( -8.489 1.766 11.748) 14.601 19.822 ( -6.669 -2.817 -28.401) 29.309 ======================= Grid point 259 (132/205) ======================= q-point: (-0.22 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -20.106 6.438 13.409) 25.010 1.594 ( -18.771 7.454 16.867) 26.314 2.684 ( -19.256 11.707 18.069) 28.885 2.895 ( 3.543 -4.495 -2.125) 6.105 3.030 ( 6.251 0.448 -2.369) 6.700 3.314 ( -19.354 1.575 3.143) 19.671 3.658 ( -20.742 10.714 -0.019) 23.346 4.051 ( -4.745 -1.818 8.372) 9.793 4.114 ( 3.512 1.276 -3.181) 4.908 4.680 ( 0.467 3.247 -9.584) 10.130 4.934 ( 1.822 -3.581 7.154) 8.205 5.219 ( 11.344 -3.084 -7.807) 14.112 6.303 ( -0.484 -1.062 -2.990) 3.209 6.417 ( 2.060 3.858 -1.352) 4.578 7.112 ( -4.278 -8.094 4.898) 10.383 7.381 ( -0.666 2.953 4.515) 5.436 7.583 ( 0.456 -5.606 2.553) 6.177 7.921 ( 0.301 0.848 -1.395) 1.660 8.103 ( 8.703 11.103 6.403) 15.493 8.118 ( 1.968 0.356 -2.487) 3.191 8.699 ( -3.623 -2.723 7.861) 9.074 8.993 ( -7.506 13.687 -3.748) 16.054 9.076 ( -0.611 4.936 2.723) 5.670 9.513 ( 0.854 -0.195 -10.695) 10.731 9.991 ( -1.489 -13.509 3.489) 14.032 10.266 ( -5.231 -5.923 -6.438) 10.192 10.437 ( 8.322 -2.396 -5.587) 10.306 10.846 ( 7.025 0.931 -0.991) 7.156 10.974 ( 3.190 -4.692 -1.059) 5.771 11.420 ( 0.426 12.868 -4.174) 13.535 11.943 ( -3.729 -2.576 -9.056) 10.127 12.400 ( 16.828 -8.628 5.665) 19.741 12.475 ( -0.959 -5.168 -5.594) 7.676 12.737 ( 18.675 1.071 6.062) 19.663 13.160 ( -7.278 -20.341 -0.735) 21.617 13.334 ( -5.243 -23.204 8.367) 25.218 13.836 ( 0.385 -0.182 3.454) 3.481 14.106 ( -3.691 -3.160 3.077) 5.751 14.306 ( -2.610 -1.110 -1.426) 3.175 14.749 ( 4.107 -4.411 3.289) 6.866 15.205 ( -8.667 13.574 9.370) 18.633 16.071 ( 10.235 24.369 -6.142) 27.136 16.609 ( 12.154 4.298 -2.259) 13.087 16.753 ( 14.042 1.576 2.738) 14.393 18.340 ( -5.915 -0.993 1.804) 6.264 18.400 ( -5.614 -0.898 -4.034) 6.971 19.074 ( -16.568 0.512 2.883) 16.825 19.267 ( -20.739 6.276 -25.223) 33.253 ======================= Grid point 260 (133/205) ======================= q-point: (-0.11 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( -9.590 11.337 17.070) 22.624 1.499 ( -13.830 14.864 19.141) 27.903 2.634 ( -13.985 10.316 29.723) 34.431 2.890 ( 0.871 -5.726 -6.326) 8.577 3.074 ( -8.363 4.682 -2.810) 9.988 3.139 ( 3.710 1.814 2.133) 4.648 3.341 ( -15.043 11.798 1.711) 19.194 4.047 ( -5.904 -3.900 10.535) 12.691 4.139 ( 3.260 -0.479 -2.947) 4.420 4.611 ( 2.529 1.439 -9.189) 9.639 5.025 ( -0.055 -4.729 6.672) 8.178 5.330 ( 10.126 -3.639 -7.350) 13.030 6.241 ( 0.031 -0.007 -6.849) 6.849 6.428 ( 1.222 2.457 -3.262) 4.262 7.052 ( -3.494 -7.132 -1.910) 8.168 7.394 ( -3.271 -1.742 3.609) 5.173 7.614 ( -1.661 -5.356 5.048) 7.545 7.969 ( -4.350 0.136 -4.841) 6.509 8.059 ( 10.328 -0.227 3.552) 10.925 8.414 ( 8.109 8.864 7.645) 14.240 8.732 ( -4.608 -1.684 8.200) 9.556 8.895 ( 0.807 10.248 0.213) 10.282 9.075 ( 1.023 1.675 2.070) 2.852 9.454 ( -2.355 5.735 3.295) 7.021 9.889 ( -2.464 -14.985 -16.494) 22.421 10.217 ( 1.008 -3.748 4.152) 5.684 10.453 ( 4.249 5.986 -10.795) 13.055 10.928 ( -2.786 -0.356 -1.193) 3.051 11.015 ( 11.001 -0.209 -6.417) 12.737 11.385 ( -1.190 14.961 -3.945) 15.518 11.766 ( -2.439 -0.687 -11.048) 11.335 12.221 ( -14.173 -1.378 -8.573) 16.622 12.729 ( 11.815 -17.666 5.938) 22.067 13.059 ( 12.969 -4.483 3.713) 14.215 13.229 ( 7.072 -19.321 4.586) 21.079 13.248 ( -10.646 -18.271 2.009) 21.241 13.877 ( 0.508 0.204 -0.963) 1.107 14.036 ( -12.799 -17.802 1.802) 22.000 14.327 ( 7.432 3.357 6.520) 10.441 14.792 ( -1.953 -6.130 2.196) 6.798 15.221 ( -2.103 14.336 11.682) 18.612 16.150 ( 8.865 23.127 -12.588) 27.783 16.806 ( 11.808 7.626 -1.900) 14.184 16.938 ( 4.582 5.763 -0.951) 7.424 18.240 ( -5.443 -2.505 -0.109) 5.993 18.353 ( 1.955 -0.899 -0.017) 2.152 18.588 ( -16.007 11.056 -10.898) 22.298 18.933 ( -15.029 4.837 2.357) 15.963 ======================= Grid point 261 (134/205) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 2.461 14.298 17.922) 23.058 1.906 ( -0.775 19.552 15.199) 24.777 2.628 ( -4.193 -7.555 4.927) 9.947 2.954 ( -0.799 7.764 7.240) 10.645 3.183 ( 0.679 -2.121 -2.086) 3.051 3.214 ( 1.321 12.436 -8.059) 14.878 3.511 ( -3.233 14.611 11.832) 19.077 3.932 ( -3.375 -7.987 7.832) 11.685 4.155 ( 2.544 -1.069 2.137) 3.490 4.604 ( 4.925 1.436 -10.649) 11.820 4.975 ( -2.111 -2.896 6.120) 7.092 5.301 ( 7.285 -5.597 -6.813) 11.437 6.215 ( 0.769 2.077 -3.326) 3.996 6.424 ( 0.775 1.979 -6.840) 7.162 6.856 ( -1.087 -5.523 -0.094) 5.630 7.294 ( -5.105 -3.976 -7.813) 10.144 7.585 ( 5.343 -0.297 4.706) 7.126 7.876 ( -0.885 0.972 -5.647) 5.798 8.213 ( 6.474 -1.548 3.600) 7.567 8.388 ( -14.308 -2.771 -4.444) 15.236 8.710 ( -2.251 0.317 4.261) 4.829 9.053 ( 7.697 -5.595 -3.737) 10.223 9.231 ( -3.425 -3.087 6.685) 8.121 9.555 ( -5.241 -4.070 15.131) 16.522 9.599 ( 1.056 11.364 5.346) 12.603 10.397 ( 9.082 5.212 -3.471) 11.031 10.508 ( -3.542 5.822 -3.579) 7.698 10.988 ( 6.266 7.206 -2.916) 9.985 11.206 ( 6.561 5.140 -8.290) 11.755 11.509 ( -12.706 15.354 -9.846) 22.229 11.706 ( 8.268 -2.125 1.512) 8.669 11.991 ( -4.673 2.356 -4.035) 6.608 12.366 ( -12.474 -22.402 9.888) 27.481 12.725 ( -6.373 -14.858 -1.090) 16.203 12.787 ( -1.467 -22.224 6.830) 23.296 13.112 ( 7.657 -13.732 -1.913) 15.839 13.663 ( -1.995 -1.579 2.821) 3.799 13.963 ( 1.630 -1.992 -7.033) 7.489 14.507 ( 2.455 1.051 4.103) 4.896 14.673 ( -2.247 -2.861 -0.226) 3.645 15.656 ( 0.730 15.654 10.918) 19.100 16.297 ( 0.125 2.707 -11.710) 12.020 16.943 ( -6.379 6.509 3.690) 9.832 17.209 ( 1.837 8.217 -3.233) 9.020 18.229 ( 3.744 0.658 1.225) 3.994 18.354 ( -0.873 1.408 -2.308) 2.841 18.691 ( 4.430 6.719 -2.205) 8.344 18.894 ( 2.108 6.452 -7.417) 10.054 ======================= Grid point 262 (135/205) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 3.241 14.989 9.922) 18.265 2.134 ( 9.084 13.150 17.291) 23.546 2.640 ( -3.712 -5.562 9.188) 11.364 3.023 ( 1.373 4.054 -5.364) 6.863 3.082 ( 0.056 5.223 -6.475) 8.319 3.173 ( 3.014 10.587 -4.961) 12.074 3.737 ( 9.028 9.805 15.488) 20.434 3.988 ( 1.296 -10.532 6.125) 12.253 4.263 ( 4.963 -2.490 5.475) 7.798 4.597 ( 7.203 1.727 -11.513) 13.690 4.958 ( -3.258 1.241 0.881) 3.596 5.356 ( 7.165 -3.501 -6.553) 10.322 6.204 ( 0.337 2.589 -1.217) 2.881 6.374 ( 1.573 3.766 -7.262) 8.331 6.908 ( 4.524 -7.178 5.099) 9.899 7.108 ( -2.624 -5.395 -11.073) 12.594 7.727 ( 2.709 5.521 0.444) 6.166 7.795 ( 2.383 -0.732 -4.086) 4.787 8.108 ( -12.024 -1.868 -2.678) 12.459 8.352 ( 1.414 -2.948 6.957) 7.687 8.737 ( 0.132 -3.431 3.688) 5.038 9.071 ( 3.048 -10.390 -8.334) 13.664 9.294 ( -5.347 -1.078 12.832) 13.943 9.632 ( -3.661 5.588 19.405) 20.523 9.714 ( 4.056 6.114 5.117) 8.945 10.311 ( -3.881 4.588 -8.113) 10.096 10.514 ( 2.916 6.268 -4.164) 8.070 10.963 ( -6.499 8.318 -14.494) 17.931 11.101 ( -5.512 7.441 2.531) 9.600 11.360 ( 2.892 4.806 -4.362) 7.105 11.656 ( -18.816 2.744 -5.568) 19.814 11.989 ( 10.434 5.769 1.894) 12.072 12.302 ( -6.089 -25.237 12.498) 28.812 12.598 ( -7.190 -8.702 -0.969) 11.330 12.836 ( -0.949 -18.356 5.178) 19.096 13.186 ( 5.424 -15.012 -3.495) 16.340 13.681 ( -0.274 -1.598 2.549) 3.021 13.936 ( 2.980 -7.268 -5.473) 9.574 14.566 ( -1.676 -1.845 2.413) 3.469 14.631 ( -0.309 -0.804 0.154) 0.875 15.750 ( -2.938 14.905 8.938) 17.625 16.166 ( -0.715 4.027 -9.852) 10.667 16.822 ( -10.943 10.027 3.562) 15.263 17.166 ( -4.697 6.343 -0.735) 7.927 18.282 ( 0.667 0.816 -0.736) 1.286 18.318 ( 1.029 1.771 -1.135) 2.342 18.741 ( 8.225 6.954 -5.668) 12.171 19.077 ( 20.960 0.017 -4.425) 21.422 ======================= Grid point 263 (136/205) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 9.635 9.664 0.098) 13.647 2.499 ( 11.506 7.314 16.470) 21.381 2.666 ( -6.271 -0.647 11.990) 13.546 2.826 ( -8.799 -0.401 -9.025) 12.611 3.138 ( 8.821 10.666 -5.865) 15.032 3.232 ( 5.315 9.622 0.724) 11.016 3.987 ( 5.377 -0.966 1.485) 5.662 4.092 ( 4.424 -10.373 6.102) 12.822 4.399 ( 5.774 -2.584 1.627) 6.532 4.605 ( 4.353 2.039 -5.904) 7.614 4.951 ( 5.825 8.304 -3.695) 10.795 5.407 ( 6.927 0.852 -7.365) 10.147 6.203 ( 1.172 3.021 -1.478) 3.562 6.339 ( 1.179 4.793 -3.012) 5.782 6.944 ( -0.424 -5.076 -4.855) 7.037 7.169 ( 9.063 -9.089 8.532) 15.413 7.685 ( 0.644 4.344 -2.608) 5.107 7.837 ( -0.514 -4.274 -5.474) 6.964 7.984 ( -1.260 3.775 4.254) 5.825 8.425 ( 0.259 2.088 8.013) 8.284 8.710 ( -9.085 0.062 2.997) 9.567 9.079 ( 3.034 -9.380 -2.484) 10.166 9.224 ( -7.102 -1.046 1.265) 7.289 9.734 ( -4.365 21.177 10.613) 24.086 9.883 ( 3.477 -9.501 11.954) 15.661 10.216 ( 1.008 5.511 -5.155) 7.614 10.491 ( 2.476 2.901 -7.639) 8.538 10.656 ( -8.974 6.569 -10.813) 15.511 11.102 ( 0.269 2.614 -1.344) 2.952 11.226 ( -22.791 -0.557 0.855) 22.814 11.353 ( -2.704 -5.313 1.534) 6.156 12.153 ( 5.785 1.531 2.033) 6.320 12.368 ( -4.316 -17.746 6.661) 19.440 12.475 ( -3.352 -4.909 0.790) 5.997 12.826 ( -3.950 -11.052 1.293) 11.808 13.262 ( 6.744 -16.324 -2.198) 17.798 13.681 ( -1.691 -3.137 1.611) 3.911 13.964 ( 4.298 -8.354 -1.449) 9.506 14.500 ( -4.443 1.025 -0.886) 4.645 14.667 ( 1.012 -2.834 1.805) 3.509 15.721 ( -6.100 13.708 2.763) 15.257 16.117 ( 2.179 3.345 -3.280) 5.166 16.666 ( -11.025 11.442 2.997) 16.169 17.014 ( -12.161 4.881 -1.169) 13.156 18.301 ( 2.632 0.662 -0.622) 2.784 18.362 ( 5.232 1.267 1.210) 5.518 18.868 ( 12.543 6.836 -6.719) 15.786 19.395 ( 20.257 -3.584 -3.926) 20.943 ======================= Grid point 264 (137/205) ======================= q-point: ( 0.33 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( 11.259 1.525 -5.919) 12.811 2.539 ( -11.049 1.112 -6.359) 12.797 2.639 ( -9.894 3.379 8.063) 13.203 2.821 ( 8.692 4.194 1.334) 9.742 3.251 ( 9.229 5.303 0.173) 10.646 3.390 ( 6.159 9.493 11.474) 16.115 3.938 ( -3.360 -7.671 -9.399) 12.588 4.191 ( -4.357 -9.054 9.546) 13.860 4.505 ( 9.235 1.590 -3.835) 10.125 4.642 ( 3.604 2.782 -2.224) 5.067 5.050 ( 11.113 10.663 -8.859) 17.767 5.438 ( 6.333 5.725 -9.443) 12.729 6.216 ( 2.417 3.768 -1.547) 4.736 6.369 ( 1.525 4.644 3.647) 6.099 6.918 ( 0.271 -4.483 -0.289) 4.500 7.357 ( 2.118 -9.131 6.479) 11.394 7.746 ( -2.528 3.147 -2.050) 4.528 7.747 ( 7.370 1.315 0.238) 7.490 8.049 ( 3.323 1.624 1.707) 4.074 8.412 ( -12.944 10.803 -1.112) 16.896 8.671 ( 2.667 3.182 14.594) 15.173 9.029 ( -5.823 -12.932 1.230) 14.235 9.189 ( 2.495 0.196 -4.775) 5.391 9.756 ( 1.467 16.441 1.133) 16.545 9.949 ( -7.735 -1.631 9.120) 12.069 10.197 ( -4.502 2.927 -0.372) 5.382 10.376 ( -0.379 6.854 -11.786) 13.640 10.552 ( 3.909 -4.594 -6.906) 9.170 10.950 ( -10.308 2.386 12.655) 16.495 11.151 ( 1.002 -0.703 0.662) 1.392 11.324 ( -0.914 -16.775 1.152) 16.840 12.192 ( -10.033 -2.454 -2.319) 10.586 12.282 ( 3.162 -18.573 4.451) 19.359 12.483 ( -4.029 -6.383 2.565) 7.972 12.760 ( -3.377 -2.556 -1.506) 4.495 13.332 ( 3.532 -18.086 -2.848) 18.646 13.701 ( 2.396 -2.340 3.397) 4.770 14.037 ( 4.185 -6.569 0.980) 7.850 14.422 ( -3.957 1.826 -0.517) 4.388 14.672 ( -1.536 -2.064 -0.546) 2.630 15.661 ( -2.839 12.448 2.388) 12.989 16.138 ( 2.877 1.894 -1.670) 3.828 16.511 ( -9.609 10.488 1.069) 14.265 16.752 ( -14.859 4.783 -2.797) 15.858 18.353 ( 3.044 1.010 0.771) 3.299 18.509 ( 7.863 -1.531 3.287) 8.658 19.006 ( 9.942 7.682 -4.077) 13.209 19.669 ( 16.893 -5.988 -4.974) 18.600 ======================= Grid point 265 (138/205) ======================= q-point: (-0.56 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -14.467 1.458 -2.800) 14.808 2.462 ( 8.875 -3.209 -8.140) 12.462 2.494 ( -12.560 5.578 4.518) 14.466 2.839 ( 4.863 -0.262 -15.947) 16.674 3.483 ( 9.508 2.274 8.922) 13.235 3.588 ( 1.407 2.763 7.124) 7.769 3.809 ( -2.108 -0.538 2.788) 3.537 4.134 ( -13.439 -6.109 9.994) 17.827 4.620 ( 2.211 4.176 0.709) 4.778 4.639 ( 3.669 2.251 -6.423) 7.732 5.111 ( 9.511 8.919 -13.936) 19.084 5.409 ( 2.156 9.608 -11.810) 15.376 6.252 ( 1.391 3.612 1.783) 4.261 6.437 ( 1.186 4.641 4.165) 6.348 6.924 ( -1.985 -4.813 3.658) 6.363 7.394 ( -0.927 -7.212 1.218) 7.373 7.733 ( 3.382 9.930 -0.814) 10.522 7.903 ( 7.698 1.280 0.944) 7.860 8.060 ( -5.966 11.850 -1.077) 13.310 8.208 ( -3.178 2.764 -1.090) 4.351 8.854 ( -4.274 -1.546 11.671) 12.525 8.994 ( -0.046 -8.686 6.361) 10.766 9.173 ( 2.040 1.078 -4.034) 4.648 9.758 ( -2.278 3.896 0.811) 4.586 9.896 ( -7.679 3.797 -6.066) 10.497 10.093 ( 2.740 9.565 9.460) 13.729 10.374 ( 7.889 5.527 -9.100) 13.251 10.565 ( 4.560 -4.494 -2.048) 6.722 10.902 ( -14.949 -2.108 10.439) 18.355 11.219 ( 7.401 -6.157 -4.867) 10.788 11.409 ( 7.841 -16.507 8.937) 20.343 11.999 ( -9.767 -11.283 1.251) 14.975 12.373 ( -1.895 -20.335 0.416) 20.427 12.420 ( 0.837 4.307 -0.685) 4.441 12.675 ( -4.041 -4.062 0.255) 5.736 13.316 ( -0.187 -20.349 -6.292) 21.300 13.835 ( 6.953 -1.899 5.897) 9.313 14.122 ( 3.775 -4.753 2.284) 6.485 14.340 ( -5.888 1.187 -0.043) 6.007 14.604 ( -3.483 0.158 -3.544) 4.971 15.679 ( -0.526 12.757 5.785) 14.017 16.179 ( 4.726 2.583 -3.700) 6.534 16.366 ( -6.640 8.004 -0.779) 10.429 16.506 ( -9.328 4.386 -2.585) 10.627 18.406 ( 1.045 1.111 2.176) 2.658 18.639 ( 4.023 -4.202 0.236) 5.822 19.132 ( 5.725 7.968 2.730) 10.184 19.855 ( 12.202 -7.834 -8.007) 16.564 ======================= Grid point 266 (139/205) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -15.887 3.726 2.359) 16.487 2.226 ( -18.660 6.679 2.093) 19.929 2.584 ( 9.916 -6.950 -6.310) 13.654 2.754 ( 6.350 -5.143 -16.596) 18.498 3.477 ( -10.528 3.673 3.110) 11.576 3.770 ( 11.337 1.128 2.603) 11.686 3.926 ( -4.986 2.147 16.478) 17.349 3.956 ( -14.702 -1.556 8.414) 17.011 4.511 ( -8.904 7.736 -1.560) 11.898 4.708 ( 1.782 0.326 2.174) 2.830 5.103 ( 7.757 5.189 -15.979) 18.505 5.263 ( -3.976 11.023 -12.826) 17.373 6.292 ( -0.478 3.136 4.274) 5.322 6.481 ( 0.510 4.772 1.540) 5.040 6.929 ( -3.393 -5.896 6.795) 9.614 7.377 ( -0.262 -5.432 -2.076) 5.822 7.802 ( -0.457 11.392 -2.651) 11.706 7.893 ( 2.325 13.786 -0.918) 14.011 8.073 ( 4.653 4.451 3.113) 7.152 8.176 ( -0.521 0.869 -5.572) 5.664 8.786 ( -8.149 -5.416 2.186) 10.026 9.063 ( -7.187 0.614 15.469) 17.068 9.231 ( 8.561 -2.707 -0.696) 9.006 9.606 ( -13.381 -0.341 -4.129) 14.008 9.874 ( 10.194 4.772 4.270) 12.038 10.275 ( 8.003 11.955 -10.670) 17.912 10.413 ( 0.160 2.378 -0.617) 2.462 10.662 ( 1.553 -4.186 5.582) 7.148 10.725 ( -3.886 -11.972 1.023) 12.628 11.281 ( 10.573 -5.274 -5.888) 13.201 11.739 ( 12.919 -8.134 15.108) 21.478 11.881 ( -8.111 -17.721 4.066) 19.909 12.316 ( -1.639 1.609 -3.299) 4.020 12.390 ( 3.092 -0.797 -8.061) 8.671 12.714 ( 0.268 -16.530 10.463) 19.565 13.186 ( -5.134 -23.031 -10.442) 25.804 13.999 ( 2.218 -2.496 5.211) 6.189 14.202 ( 2.357 -1.879 -2.580) 3.968 14.231 ( -4.857 1.027 4.955) 7.014 14.521 ( -0.610 0.509 -3.341) 3.434 15.704 ( -6.473 14.272 7.489) 17.369 16.201 ( 6.605 9.127 -7.593) 13.586 16.357 ( 4.837 2.242 2.055) 5.713 16.404 ( 0.181 2.778 -1.299) 3.072 18.425 ( -1.895 0.961 2.975) 3.655 18.638 ( -1.773 -3.959 -3.597) 5.635 19.237 ( -0.304 5.858 7.339) 9.395 19.901 ( 5.343 -8.280 -13.638) 16.825 ======================= Grid point 267 (140/205) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( -14.710 6.208 7.938) 17.830 1.939 ( -17.987 7.923 5.592) 20.435 2.656 ( 4.750 -5.208 -2.949) 7.641 2.761 ( 9.601 -10.462 -9.590) 17.135 3.326 ( -12.812 12.905 6.988) 19.481 3.672 ( -21.657 3.313 7.375) 23.117 3.935 ( 4.982 -0.034 -1.335) 5.158 4.026 ( -5.569 -0.182 12.561) 13.741 4.318 ( -11.323 9.951 -1.011) 15.108 4.750 ( -1.800 -1.154 7.302) 7.608 5.002 ( -2.890 5.928 -15.761) 17.085 5.120 ( 4.871 2.990 -9.831) 11.372 6.318 ( -1.621 2.156 3.754) 4.623 6.494 ( 1.009 4.885 -0.763) 5.046 6.946 ( -4.022 -6.722 8.519) 11.573 7.356 ( 1.144 -5.065 -2.524) 5.774 7.663 ( -7.060 5.989 -4.068) 10.113 8.043 ( -2.687 2.055 -7.978) 8.665 8.074 ( 8.740 12.457 2.627) 15.442 8.181 ( 4.550 7.400 3.867) 9.509 8.675 ( -4.989 -3.427 -0.122) 6.054 9.127 ( -5.169 6.265 18.816) 20.495 9.352 ( -5.639 -7.550 -6.048) 11.198 9.430 ( 7.471 4.424 3.696) 9.437 10.054 ( -16.203 4.984 -12.601) 21.122 10.138 ( 11.050 -0.102 7.199) 13.189 10.306 ( -0.121 -6.368 -13.872) 15.264 10.738 ( 3.052 -7.605 6.832) 10.669 10.833 ( 9.743 0.511 -3.398) 10.332 11.523 ( 16.406 4.009 0.342) 16.892 11.790 ( -0.557 -14.472 -2.328) 14.668 12.067 ( 5.314 -7.364 10.884) 14.175 12.301 ( 5.906 -2.958 -0.109) 6.606 12.433 ( 6.755 -2.917 -3.335) 8.078 12.797 ( -3.876 -22.524 7.518) 24.060 12.974 ( -6.229 -16.810 -5.841) 18.855 13.933 ( -8.556 1.386 -0.567) 8.686 14.169 ( -1.425 0.986 -2.299) 2.879 14.294 ( 1.921 -0.827 3.655) 4.211 14.556 ( 4.878 -2.893 1.603) 5.894 15.614 ( -9.876 15.250 5.490) 18.980 16.266 ( 7.525 5.764 -6.418) 11.447 16.507 ( 12.601 6.074 1.755) 14.098 16.530 ( 11.288 2.796 2.572) 11.910 18.400 ( -4.542 0.443 2.873) 5.392 18.525 ( -6.184 -2.591 -4.354) 7.994 19.248 ( -6.950 3.932 6.461) 10.272 19.740 ( -4.284 -5.075 -20.364) 21.420 ======================= Grid point 268 (141/205) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -11.479 11.371 10.777) 19.422 1.780 ( -13.212 10.569 16.274) 23.475 2.715 ( 5.114 -8.477 -3.898) 10.640 2.836 ( 1.516 -5.331 4.929) 7.417 3.190 ( -13.147 16.660 10.441) 23.652 3.399 ( -13.345 6.216 0.758) 14.741 3.868 ( -12.659 6.925 0.716) 14.447 4.006 ( -8.285 -2.541 8.450) 12.103 4.169 ( -1.490 5.529 -4.619) 7.357 4.770 ( -0.971 5.264 -8.154) 9.754 4.842 ( -3.021 -4.929 5.716) 8.130 5.157 ( 8.603 -2.669 -7.462) 11.697 6.302 ( -1.698 1.123 -1.011) 2.273 6.505 ( 1.422 4.135 -2.134) 4.866 6.948 ( -4.656 -6.871 5.777) 10.113 7.381 ( 2.344 -4.772 0.998) 5.410 7.515 ( -6.081 0.925 -1.099) 6.248 7.902 ( -2.549 -0.734 -4.152) 4.927 8.158 ( 0.973 4.163 -3.743) 5.682 8.402 ( 8.948 12.320 9.443) 17.917 8.671 ( 3.332 4.392 5.413) 7.726 9.164 ( -8.568 -3.298 -1.711) 9.339 9.236 ( -2.625 7.548 9.045) 12.069 9.523 ( -3.647 5.210 -14.253) 15.608 9.744 ( -3.750 -7.728 7.341) 11.300 10.130 ( -3.819 -6.317 -7.727) 10.687 10.378 ( 11.777 -0.227 -0.328) 11.784 10.863 ( 3.926 -2.589 4.346) 6.404 10.979 ( 13.496 5.919 -7.616) 16.588 11.604 ( 1.487 1.086 -6.659) 6.908 11.890 ( 8.069 0.479 -5.335) 9.685 12.180 ( -0.622 -13.657 6.692) 15.221 12.343 ( -0.576 -8.217 -3.277) 8.866 12.570 ( 7.973 -19.952 2.788) 21.666 12.790 ( 4.304 -9.573 1.980) 10.681 12.927 ( -5.400 -12.877 8.365) 16.277 13.798 ( -6.165 -0.180 -0.419) 6.182 14.092 ( -2.634 1.449 -4.293) 5.241 14.358 ( 1.915 2.196 2.685) 3.962 14.650 ( 2.554 -4.822 2.610) 6.049 15.532 ( -6.072 16.311 6.404) 18.545 16.325 ( 7.390 2.052 -7.017) 10.395 16.738 ( 11.102 5.441 3.421) 12.828 16.836 ( 19.141 6.729 1.876) 20.376 18.325 ( -7.259 -0.329 1.440) 7.408 18.375 ( -5.402 -1.345 -2.525) 6.113 19.120 ( -12.695 3.821 -0.005) 13.257 19.374 ( -11.979 3.397 -19.589) 23.211 ======================= Grid point 269 (142/205) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( -2.685 16.590 14.555) 22.233 1.795 ( -7.883 14.251 20.713) 26.349 2.693 ( -4.183 -9.567 -1.226) 10.513 2.908 ( -6.188 8.221 15.834) 18.883 3.132 ( -1.192 1.241 4.602) 4.913 3.266 ( -0.509 12.048 -5.165) 13.118 3.624 ( -14.986 13.002 2.702) 20.023 3.947 ( -7.721 -5.567 8.272) 12.611 4.133 ( 1.654 0.957 -4.011) 4.443 4.655 ( 1.148 2.374 -10.354) 10.685 4.914 ( -0.619 -4.968 9.328) 10.587 5.236 ( 8.268 -5.137 -6.284) 11.586 6.253 ( -0.413 1.350 -4.367) 4.590 6.481 ( 0.232 2.112 -5.185) 5.604 6.905 ( -4.109 -5.671 1.105) 7.090 7.386 ( -1.749 -0.289 -0.879) 1.979 7.496 ( 0.421 -4.820 4.421) 6.554 7.891 ( 3.032 -4.713 -1.990) 5.947 8.128 ( 1.397 4.972 -1.885) 5.498 8.542 ( -3.152 3.978 8.283) 9.714 8.774 ( -3.756 2.509 -1.352) 4.715 9.045 ( -1.663 2.312 -3.942) 4.863 9.157 ( 3.463 5.530 -3.548) 7.428 9.464 ( -3.752 -5.249 15.206) 16.518 9.681 ( -7.865 -2.134 -4.461) 9.290 10.190 ( 10.486 1.675 4.663) 11.597 10.531 ( 7.624 4.095 -4.017) 9.541 10.932 ( 3.070 0.640 -2.138) 3.796 11.118 ( 12.239 7.807 -8.149) 16.648 11.587 ( 5.102 -0.803 -5.724) 7.710 11.815 ( -7.358 10.525 -7.997) 15.129 12.100 ( -8.564 -13.021 1.743) 15.682 12.399 ( 1.886 -11.831 2.979) 12.345 12.708 ( 2.776 -21.907 5.812) 22.834 12.859 ( -6.576 -16.246 1.523) 17.593 12.962 ( 7.713 -10.252 3.386) 13.269 13.707 ( -5.395 -3.054 1.629) 6.410 14.016 ( -0.004 1.490 -6.163) 6.341 14.424 ( 2.531 3.814 3.277) 5.630 14.689 ( -0.311 -4.547 1.553) 4.815 15.549 ( -1.141 16.507 9.077) 18.872 16.358 ( 5.298 1.306 -9.239) 10.730 16.923 ( 4.573 4.667 4.004) 7.663 17.126 ( 12.928 7.872 -2.428) 15.330 18.218 ( -4.213 0.182 0.455) 4.242 18.328 ( 1.339 -1.426 0.336) 1.985 18.818 ( -11.822 10.482 -10.226) 18.821 19.058 ( -10.077 6.296 -6.204) 13.404 ======================= Grid point 270 (143/205) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -0.981 9.867 17.631) 20.228 2.318 ( 0.527 19.936 13.577) 24.126 2.440 ( -2.627 -9.947 7.726) 12.866 2.995 ( 0.820 -9.883 6.957) 12.113 3.236 ( -1.580 12.861 1.675) 13.066 3.449 ( 2.093 8.728 -10.893) 14.114 3.653 ( -0.445 -0.778 -0.921) 1.285 3.769 ( -2.721 -8.752 5.130) 10.503 4.234 ( -0.067 9.377 3.727) 10.091 4.588 ( 2.196 -3.916 -4.974) 6.700 4.971 ( 1.498 2.880 4.167) 5.283 5.183 ( 6.306 -5.786 -3.982) 9.440 6.277 ( 1.022 3.955 -2.199) 4.639 6.442 ( 1.979 -1.248 -4.609) 5.169 6.813 ( -1.889 2.283 -2.900) 4.146 7.146 ( -3.927 -9.593 -9.191) 13.854 7.651 ( 5.902 5.757 2.791) 8.704 7.853 ( 4.975 -2.642 -3.185) 6.471 8.246 ( 2.115 3.000 -2.200) 4.279 8.355 ( -12.054 -0.548 -5.647) 13.323 8.740 ( -5.911 3.256 4.268) 7.985 8.905 ( 1.319 -4.667 -8.066) 9.412 9.146 ( -2.200 -5.541 11.359) 12.829 9.356 ( -6.353 -12.716 14.483) 20.293 9.955 ( 2.264 19.250 9.354) 21.522 10.436 ( 5.244 -1.918 -1.102) 5.691 10.642 ( -1.885 7.181 -1.379) 7.551 11.069 ( 1.332 -5.921 -9.073) 10.915 11.285 ( 12.506 7.514 4.434) 15.248 11.715 ( 0.892 6.143 3.494) 7.123 11.806 ( -4.258 6.352 -7.171) 10.483 11.898 ( -0.362 -7.610 9.327) 12.043 12.108 ( -13.076 -3.299 -3.525) 13.938 12.388 ( -3.961 -15.476 2.603) 16.186 12.528 ( 0.094 -3.397 -1.607) 3.759 12.815 ( 6.481 -14.070 -4.548) 16.145 13.692 ( -1.427 4.052 -0.560) 4.332 13.905 ( -1.201 -3.799 -7.852) 8.805 14.529 ( 0.646 0.865 2.297) 2.539 14.607 ( -0.450 -3.368 0.588) 3.449 15.947 ( 1.139 12.326 5.781) 13.662 16.279 ( -0.060 -3.745 -5.973) 7.050 17.087 ( -4.437 7.142 6.093) 10.384 17.284 ( -0.859 -0.428 1.891) 2.121 18.259 ( 2.808 2.055 1.813) 3.924 18.347 ( 2.364 -1.540 0.643) 2.894 18.852 ( 1.364 7.638 -7.782) 10.989 18.986 ( 1.718 2.067 -10.231) 10.578 ======================= Grid point 271 (144/205) ======================= q-point: ( 0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.240 ( 2.474 8.497 17.471) 19.584 2.410 ( -0.087 11.440 9.585) 14.925 2.536 ( -0.746 -1.889 13.078) 13.235 2.965 ( -4.595 -7.118 -5.420) 10.058 3.294 ( 8.172 12.989 -4.324) 15.943 3.394 ( 3.084 9.403 -6.362) 11.764 3.725 ( 4.421 -8.766 4.989) 11.013 3.822 ( 3.984 -7.808 1.760) 8.940 4.313 ( 4.223 7.598 3.696) 9.446 4.591 ( 3.586 -2.891 -4.987) 6.789 5.031 ( 3.910 5.718 0.270) 6.932 5.274 ( 8.685 -4.655 -3.217) 10.366 6.282 ( 0.999 5.017 -0.702) 5.163 6.443 ( 2.917 1.580 -4.975) 5.979 6.796 ( 2.617 -2.591 0.482) 3.714 6.977 ( -1.398 -7.065 -11.426) 13.506 7.755 ( 4.174 0.794 -1.665) 4.564 7.832 ( -1.280 0.013 -7.696) 7.802 8.161 ( -3.247 6.375 -0.612) 7.181 8.341 ( 5.856 0.195 3.554) 6.853 8.684 ( -4.299 1.326 4.196) 6.151 8.914 ( 3.475 -4.233 -1.647) 5.719 9.232 ( -5.293 -5.476 12.730) 14.834 9.435 ( 0.939 -13.333 12.940) 18.604 10.072 ( 0.457 17.427 8.686) 19.478 10.375 ( -4.091 1.583 -4.444) 6.245 10.640 ( -0.337 5.970 -2.120) 6.344 10.994 ( 0.803 -6.506 -8.455) 10.699 11.277 ( -16.347 9.597 -2.777) 19.158 11.490 ( -11.702 6.367 -1.135) 13.370 11.676 ( -24.001 -0.809 -2.127) 24.108 11.903 ( -5.233 -11.721 10.820) 16.788 12.112 ( 14.835 5.843 3.069) 16.237 12.439 ( 4.194 -11.690 1.918) 12.566 12.540 ( 2.361 -4.193 -0.894) 4.895 12.852 ( 5.712 -15.907 -7.206) 18.374 13.676 ( -1.088 1.543 0.626) 1.989 13.821 ( 0.112 -4.408 -5.000) 6.666 14.548 ( -1.247 -0.101 1.809) 2.199 14.601 ( -0.029 -2.059 0.143) 2.064 15.998 ( -2.211 9.234 4.512) 10.513 16.194 ( -1.953 -0.859 -5.466) 5.868 17.022 ( -9.583 8.970 5.528) 14.243 17.233 ( -7.233 -0.016 2.037) 7.514 18.309 ( 0.875 1.867 0.631) 2.157 18.352 ( 0.445 0.815 -1.534) 1.794 18.881 ( 9.506 6.552 -6.351) 13.177 19.063 ( 16.004 -1.702 -6.612) 17.399 ======================= Grid point 272 (145/205) ======================= q-point: ( 0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 2.706 10.882 -0.623) 11.231 2.592 ( 3.047 1.859 17.508) 17.868 2.666 ( -0.557 0.618 14.945) 14.968 2.784 ( -6.749 -3.870 -8.364) 11.423 3.355 ( 8.193 10.955 -11.191) 17.674 3.445 ( 3.889 10.452 3.178) 11.596 3.825 ( 4.359 -11.394 -5.067) 13.210 3.903 ( 0.901 -10.088 6.902) 12.256 4.436 ( 8.964 5.103 -1.850) 10.479 4.613 ( 5.019 -1.502 -4.041) 6.616 5.140 ( 9.665 9.434 -2.239) 13.690 5.399 ( 9.989 -2.102 -4.307) 11.079 6.295 ( 1.678 5.818 -1.054) 6.146 6.433 ( 1.883 3.323 -3.776) 5.371 6.839 ( 1.188 -4.152 -2.928) 5.218 6.980 ( 7.283 -8.683 3.820) 11.959 7.735 ( -0.908 0.902 -3.663) 3.880 7.769 ( 3.050 -2.179 -5.037) 6.278 8.163 ( 0.911 11.503 0.892) 11.573 8.496 ( 5.527 0.837 6.325) 8.441 8.690 ( -1.488 2.640 5.868) 6.604 8.925 ( -2.523 -3.251 -0.041) 4.115 9.237 ( -3.855 0.105 6.503) 7.560 9.605 ( 3.575 -16.140 8.833) 18.743 10.146 ( -1.800 16.006 8.058) 18.010 10.294 ( -2.846 2.259 0.381) 3.653 10.544 ( -2.930 3.868 -8.682) 9.946 10.849 ( -9.241 9.074 -8.559) 15.524 11.021 ( -5.078 -9.833 -6.698) 12.936 11.163 ( -16.661 -0.877 -2.188) 16.827 11.385 ( -19.212 5.408 12.047) 23.312 11.829 ( -10.598 -19.371 5.391) 22.729 12.313 ( -1.177 0.960 -1.359) 2.038 12.488 ( 4.593 4.467 -2.392) 6.839 12.595 ( 4.785 -10.277 1.464) 11.430 12.920 ( 7.822 -15.303 -2.505) 17.368 13.663 ( -0.759 1.659 1.309) 2.245 13.831 ( 3.651 -5.242 -0.277) 6.394 14.520 ( -2.705 1.309 0.204) 3.013 14.614 ( 0.803 -2.635 0.265) 2.767 15.951 ( -5.313 8.595 0.939) 10.148 16.136 ( -0.722 -1.063 -1.680) 2.114 16.883 ( -12.073 9.124 3.814) 15.606 17.073 ( -12.932 0.418 0.420) 12.945 18.332 ( 2.704 2.027 -0.639) 3.439 18.379 ( 3.985 0.274 0.117) 3.997 19.020 ( 12.452 7.721 -5.015) 15.486 19.303 ( 17.015 -5.373 -4.222) 18.336 ======================= Grid point 273 (146/205) ======================= q-point: ( 0.33 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.374 ( 2.983 4.479 -7.728) 9.417 2.545 ( -8.145 -1.337 -9.179) 12.344 2.711 ( -6.054 3.784 11.063) 13.167 2.849 ( 2.860 -1.118 4.842) 5.734 3.376 ( 6.117 7.058 -4.298) 10.281 3.573 ( 2.674 7.631 7.778) 11.219 3.766 ( 0.316 -7.986 -7.295) 10.821 3.993 ( -2.434 -9.938 10.727) 14.824 4.573 ( 10.462 4.290 -4.413) 12.138 4.679 ( 6.164 0.391 -3.624) 7.161 5.268 ( 10.016 10.146 -7.606) 16.159 5.508 ( 9.444 0.335 -7.906) 12.321 6.318 ( 2.403 5.752 -1.380) 6.384 6.451 ( 1.954 2.245 0.857) 3.097 6.852 ( 1.273 -0.628 1.254) 1.893 7.140 ( 3.868 -11.243 5.161) 12.961 7.767 ( 5.250 1.690 3.038) 6.297 7.799 ( 6.668 0.470 -4.214) 7.902 8.194 ( 2.192 11.187 1.021) 11.445 8.551 ( -6.317 -0.679 1.436) 6.514 8.779 ( -0.440 5.995 9.903) 11.584 8.850 ( -3.703 0.092 3.975) 5.433 9.235 ( 0.303 4.106 -2.126) 4.634 9.694 ( 0.312 -15.343 2.895) 15.617 10.135 ( -3.576 9.077 -4.697) 10.828 10.259 ( -7.475 6.565 10.151) 14.213 10.444 ( 4.329 -1.678 -11.539) 12.438 10.653 ( -3.718 14.044 -4.564) 15.228 10.899 ( -2.941 -11.668 5.693) 13.312 11.049 ( -0.412 -1.162 -0.946) 1.554 11.184 ( -17.410 0.982 10.737) 20.478 11.681 ( -13.606 -27.108 5.864) 30.892 12.195 ( -3.296 -0.504 -5.659) 6.568 12.448 ( -0.564 -6.520 -5.916) 8.822 12.728 ( 3.037 1.527 1.707) 3.804 12.994 ( 2.249 -13.041 -2.190) 13.413 13.706 ( 3.015 2.813 3.838) 5.633 13.913 ( 4.370 -5.732 2.190) 7.533 14.468 ( -3.231 2.993 -0.608) 4.446 14.618 ( -0.153 -3.158 -1.184) 3.376 15.890 ( -2.399 9.193 1.700) 9.652 16.123 ( 0.505 -2.721 -0.259) 2.780 16.700 ( -11.802 7.457 0.913) 13.991 16.824 ( -14.375 1.597 -1.944) 14.593 18.387 ( 3.312 2.189 0.610) 4.017 18.476 ( 5.444 -1.753 1.469) 5.905 19.177 ( 10.141 8.818 -2.613) 13.690 19.528 ( 13.888 -7.656 -4.136) 16.389 ======================= Grid point 274 (147/205) ======================= q-point: (-0.56 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.270 ( -8.236 2.078 -6.716) 10.829 2.392 ( 3.564 -3.282 -8.800) 10.046 2.613 ( -11.836 5.484 0.377) 13.050 2.802 ( -0.973 -3.059 -13.195) 13.580 3.519 ( 5.132 1.690 8.118) 9.752 3.604 ( -0.096 -1.201 1.434) 1.873 3.828 ( 2.414 2.481 10.134) 10.709 4.011 ( -8.191 -5.765 10.476) 14.494 4.682 ( 6.376 3.007 -3.854) 8.034 4.716 ( 1.409 2.834 -2.050) 3.771 5.306 ( 6.591 9.686 -12.885) 17.415 5.535 ( 4.759 1.726 -12.000) 13.024 6.349 ( 0.829 5.515 2.011) 5.928 6.503 ( 1.431 0.599 3.052) 3.423 6.878 ( -1.434 1.606 3.118) 3.789 7.204 ( 0.784 -10.663 0.637) 10.711 7.909 ( 9.093 6.227 0.047) 11.021 7.959 ( 10.613 3.537 4.346) 12.002 8.257 ( 2.855 8.826 0.608) 9.296 8.372 ( -11.314 7.786 -1.822) 13.854 8.745 ( -5.917 -2.513 4.830) 8.041 8.933 ( -3.610 -1.536 10.960) 11.641 9.211 ( 3.597 3.900 -7.631) 9.294 9.707 ( -2.278 -11.231 0.314) 11.464 9.989 ( -3.715 7.068 -3.046) 8.547 10.267 ( -0.664 7.984 6.947) 10.604 10.472 ( 8.458 -3.746 -7.339) 11.808 10.566 ( -2.111 9.344 -3.969) 10.369 10.914 ( -18.208 1.791 8.028) 19.979 11.019 ( 8.288 -6.660 -0.235) 10.635 11.215 ( 8.991 -4.872 11.431) 15.337 11.497 ( -14.457 -29.664 7.207) 33.777 12.163 ( 4.564 -2.299 -2.356) 5.628 12.413 ( 3.219 -6.770 -4.819) 8.912 12.681 ( -6.268 2.772 -3.551) 7.719 12.943 ( -3.445 -14.036 -6.017) 15.655 13.835 ( 5.658 2.128 6.102) 8.589 14.019 ( 4.287 -5.194 4.018) 7.842 14.392 ( -4.713 3.918 -1.374) 6.281 14.575 ( -2.289 -2.965 -3.257) 4.964 15.916 ( 1.154 9.620 4.666) 10.754 16.161 ( 4.071 -2.985 0.192) 5.051 16.517 ( -8.087 5.698 -2.176) 10.129 16.582 ( -9.992 2.379 -2.921) 10.679 18.440 ( 1.108 2.234 1.841) 3.099 18.560 ( 2.338 -3.487 0.843) 4.282 19.305 ( 5.945 8.801 0.294) 10.625 19.679 ( 9.354 -9.062 -5.615) 14.182 ======================= Grid point 275 (148/205) ======================= q-point: (-0.44 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -9.075 5.957 -2.727) 11.193 2.361 ( -13.882 6.628 -3.744) 15.833 2.410 ( 6.729 -9.463 -6.021) 13.080 2.638 ( -0.674 -6.072 -13.802) 15.094 3.565 ( -3.873 4.834 6.606) 9.056 3.753 ( 8.051 -2.769 4.353) 9.562 3.932 ( -12.730 -0.242 9.675) 15.991 3.953 ( -2.235 0.072 12.600) 12.797 4.651 ( -4.714 5.490 -2.167) 7.553 4.734 ( -1.572 1.424 3.586) 4.166 5.240 ( 2.990 7.650 -15.628) 17.655 5.415 ( -2.614 2.828 -14.757) 15.251 6.381 ( -1.663 5.335 5.215) 7.643 6.550 ( -0.122 0.270 3.379) 3.392 6.872 ( -2.394 1.827 3.188) 4.386 7.201 ( 0.627 -10.383 -2.803) 10.773 8.017 ( -2.651 9.312 -2.733) 10.061 8.167 ( 9.729 9.397 -1.445) 13.603 8.190 ( 0.288 7.836 2.979) 8.388 8.293 ( -2.383 6.411 -1.777) 7.066 8.694 ( -5.076 -0.542 4.543) 6.834 8.980 ( -3.466 -7.182 13.527) 15.703 9.215 ( 5.388 1.253 -7.043) 8.955 9.582 ( -5.554 -4.205 -4.538) 8.314 10.035 ( 4.820 9.406 5.379) 11.859 10.326 ( -4.299 -5.307 -0.089) 6.831 10.455 ( 1.862 -1.396 1.016) 2.539 10.597 ( -6.143 4.519 -4.480) 8.845 10.667 ( 1.495 3.463 -2.337) 4.437 11.233 ( 17.584 0.746 -1.244) 17.644 11.378 ( -8.645 -26.806 9.833) 29.832 11.555 ( 13.513 -9.907 13.719) 21.656 12.273 ( 8.028 -1.292 -1.132) 8.210 12.396 ( -1.916 -1.243 -7.311) 7.660 12.544 ( -4.125 -2.675 0.399) 4.933 12.777 ( -4.597 -15.917 -8.537) 18.637 13.990 ( 3.903 1.686 5.704) 7.114 14.134 ( 4.173 -3.848 3.389) 6.611 14.289 ( -4.980 4.175 -0.646) 6.531 14.491 ( -2.370 -3.437 -3.723) 5.594 15.964 ( -3.651 10.709 4.950) 12.350 16.240 ( 4.316 -2.740 -1.740) 5.400 16.450 ( 4.265 4.359 -0.668) 6.135 16.465 ( 0.781 2.529 -1.631) 3.109 18.454 ( -2.172 1.806 2.414) 3.716 18.561 ( -2.417 -3.442 -0.610) 4.250 19.374 ( 0.618 7.416 1.651) 7.623 19.720 ( 3.619 -9.051 -8.696) 13.063 ======================= Grid point 276 (149/205) ======================= q-point: (-0.33 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( -6.724 10.321 2.085) 12.493 2.121 ( -12.131 9.380 2.360) 15.515 2.495 ( 7.206 -13.127 -1.288) 15.030 2.530 ( 0.634 -8.712 -6.732) 11.029 3.560 ( -3.643 9.752 4.805) 11.466 3.772 ( -17.248 5.863 9.315) 20.461 3.884 ( 4.807 -4.711 -1.394) 6.873 3.996 ( -6.994 -2.940 10.848) 13.238 4.518 ( -9.629 9.028 1.130) 13.248 4.731 ( -5.457 -1.243 8.810) 10.437 5.102 ( -0.824 4.604 -16.758) 17.398 5.194 ( -3.657 2.175 -12.723) 13.416 6.388 ( -3.394 4.601 4.226) 7.110 6.562 ( -1.367 -0.036 1.785) 2.248 6.874 ( -1.783 1.285 4.230) 4.767 7.185 ( 1.760 -10.040 -3.294) 10.712 7.818 ( -10.344 8.855 -5.253) 14.595 8.084 ( -9.705 -0.036 -7.044) 11.992 8.283 ( 4.290 9.420 -0.700) 10.374 8.396 ( 8.292 9.068 5.799) 13.587 8.703 ( 0.843 5.106 5.768) 7.749 9.042 ( -6.240 -10.418 11.491) 16.719 9.236 ( 3.193 -0.293 -3.746) 4.930 9.573 ( 7.585 3.740 2.682) 8.872 10.030 ( -16.381 -5.872 -11.236) 20.714 10.179 ( -4.803 -1.718 4.574) 6.852 10.360 ( -1.719 16.435 -2.263) 16.679 10.634 ( 11.629 -0.669 0.939) 11.686 10.827 ( 14.482 -2.842 -4.340) 15.383 11.361 ( -2.066 -23.325 7.092) 24.467 11.601 ( 22.254 2.085 0.355) 22.354 11.914 ( 13.512 -11.249 10.003) 20.228 12.175 ( -6.779 -4.471 -11.687) 14.232 12.298 ( -6.715 -6.468 -6.856) 11.573 12.556 ( 4.542 -1.946 5.987) 7.763 12.741 ( 2.015 -8.190 1.714) 8.606 14.000 ( -5.458 5.005 -1.168) 7.497 14.173 ( 0.642 -1.370 -4.945) 5.172 14.290 ( 1.508 1.344 6.334) 6.649 14.472 ( 2.491 -5.246 1.003) 5.893 15.897 ( -6.208 12.142 2.170) 13.809 16.251 ( 2.105 -4.686 -3.767) 6.370 16.597 ( 11.072 3.407 3.074) 11.985 16.632 ( 14.434 3.852 2.250) 15.108 18.414 ( -5.184 0.886 2.176) 5.692 18.474 ( -6.175 -2.196 -1.394) 6.700 19.350 ( -4.734 5.889 0.355) 7.565 19.620 ( -2.765 -6.459 -12.389) 14.243 ======================= Grid point 277 (150/205) ======================= q-point: (-0.22 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( -4.007 13.439 7.080) 15.710 2.028 ( -7.263 13.216 12.919) 19.857 2.493 ( 0.955 -12.225 -3.710) 12.811 2.644 ( 5.239 -12.112 8.789) 15.855 3.532 ( -9.909 14.453 6.471) 18.680 3.550 ( -10.722 8.229 1.354) 13.584 3.874 ( -2.260 -4.730 -4.523) 6.924 3.939 ( -10.256 -4.645 7.648) 13.611 4.364 ( -8.835 11.572 0.366) 14.564 4.729 ( -6.027 -5.783 7.305) 11.096 4.899 ( -2.150 6.474 -10.264) 12.325 5.103 ( 3.332 -2.991 -7.117) 8.409 6.352 ( -2.982 3.706 -0.023) 4.757 6.538 ( -1.764 -2.053 -1.579) 3.133 6.888 ( -1.679 2.159 3.574) 4.500 7.208 ( 2.698 -10.125 -0.056) 10.478 7.621 ( -6.741 7.689 -2.979) 10.651 7.873 ( -6.291 -2.769 -4.557) 8.247 8.288 ( 0.101 8.728 -3.656) 9.464 8.562 ( 2.706 5.486 7.210) 9.455 8.810 ( 0.602 -0.456 5.090) 5.146 9.032 ( -2.922 -3.408 7.662) 8.880 9.273 ( 0.740 -0.032 4.383) 4.445 9.547 ( -15.675 -0.908 -20.412) 25.752 9.822 ( 5.021 7.720 10.321) 13.832 10.028 ( -4.577 -4.032 -0.915) 6.168 10.493 ( 10.814 13.263 1.491) 17.177 10.830 ( 9.352 0.478 1.033) 9.421 11.036 ( 15.547 -3.162 -8.189) 17.854 11.434 ( 4.981 -17.262 2.858) 18.192 11.847 ( -4.172 -7.540 -5.290) 10.112 11.982 ( 8.041 0.184 -4.856) 9.395 12.169 ( 6.043 -6.657 0.400) 9.000 12.225 ( 5.983 -11.011 2.777) 12.836 12.675 ( 1.380 -2.246 4.212) 4.968 12.769 ( -3.952 -5.023 4.916) 8.064 13.865 ( -6.247 6.043 -3.189) 9.258 14.095 ( -1.151 -1.947 -7.426) 7.762 14.394 ( 3.273 1.902 4.543) 5.914 14.546 ( 2.524 -5.211 2.603) 6.348 15.844 ( -2.546 13.880 2.936) 14.414 16.269 ( 4.526 -6.170 -4.045) 8.655 16.833 ( 10.522 4.437 5.435) 12.646 16.934 ( 16.256 1.688 3.166) 16.647 18.325 ( -7.154 0.236 1.168) 7.253 18.350 ( -5.563 -1.034 -0.942) 5.736 19.220 ( -8.473 5.535 -3.614) 10.747 19.394 ( -7.249 -1.353 -13.386) 15.283 ======================= Grid point 278 (151/205) ======================= q-point: (-0.11 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.922 ( -2.994 12.374 12.658) 17.953 2.131 ( -0.034 17.632 17.735) 25.008 2.461 ( -3.227 -11.568 1.191) 12.068 2.840 ( 4.018 -11.435 12.739) 17.584 3.327 ( -13.376 13.479 5.943) 19.897 3.506 ( 1.752 10.030 -6.758) 12.220 3.751 ( -5.395 -1.557 -4.810) 7.394 3.823 ( -9.989 -6.416 6.048) 13.324 4.251 ( -4.008 10.495 -0.060) 11.234 4.640 ( -2.578 -5.088 -5.044) 7.614 4.894 ( 1.145 3.759 5.264) 6.569 5.127 ( 5.150 -5.542 -3.944) 8.532 6.301 ( -0.900 3.451 -2.716) 4.483 6.480 ( -0.632 -2.750 -4.688) 5.472 6.873 ( -2.663 3.208 0.285) 4.179 7.238 ( 0.024 -10.989 -1.488) 11.089 7.559 ( 0.736 7.518 1.478) 7.697 7.803 ( 1.697 -3.969 -1.908) 4.719 8.252 ( 0.682 7.278 -3.625) 8.160 8.594 ( -7.054 -2.311 0.203) 7.426 8.776 ( -5.127 1.903 4.215) 6.905 9.045 ( -3.791 -0.445 -8.526) 9.341 9.154 ( -8.346 -5.911 1.131) 10.290 9.333 ( -4.077 -5.808 7.458) 10.294 9.843 ( -1.354 14.645 7.083) 16.324 10.225 ( 12.365 -0.138 7.746) 14.592 10.664 ( 6.356 8.402 -2.161) 10.755 10.988 ( 11.711 6.476 -0.821) 13.407 11.135 ( 6.793 -9.469 -9.674) 15.146 11.576 ( 12.131 -0.831 -5.147) 13.204 11.742 ( -4.376 -12.452 10.511) 16.872 12.027 ( -1.568 3.593 -3.902) 5.531 12.232 ( 0.829 -3.593 -2.670) 4.552 12.370 ( 4.231 -9.680 3.329) 11.077 12.648 ( -8.260 -5.083 -1.029) 9.754 12.747 ( 0.950 -9.668 2.399) 10.006 13.749 ( -3.885 5.657 -2.058) 7.165 14.002 ( -0.544 -3.069 -8.258) 8.827 14.480 ( 2.307 1.953 2.708) 4.058 14.594 ( 0.664 -4.432 1.685) 4.788 15.871 ( 0.701 14.382 4.835) 15.189 16.301 ( 3.693 -5.969 -4.806) 8.507 17.028 ( 4.291 5.503 6.290) 9.394 17.195 ( 9.409 -0.530 2.495) 9.749 18.236 ( -2.831 1.333 0.821) 3.235 18.297 ( 0.103 -1.534 0.721) 1.698 19.006 ( -7.737 7.727 -8.856) 14.071 19.148 ( -6.747 1.811 -10.301) 12.446 ======================= Grid point 279 (152/205) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -2.005 -9.650 13.164) 16.445 2.236 ( -2.005 9.650 13.164) 16.445 2.705 ( 0.561 -17.198 11.204) 20.534 2.705 ( 0.561 17.198 11.204) 20.534 3.509 ( -1.202 -10.582 1.175) 10.715 3.509 ( -1.202 10.582 1.175) 10.715 3.604 ( 0.893 -3.505 -8.160) 8.925 3.604 ( 0.893 3.505 -8.160) 8.925 4.446 ( -0.212 -9.425 1.727) 9.584 4.446 ( -0.212 9.425 1.727) 9.584 5.066 ( 4.463 -5.546 -0.320) 7.126 5.066 ( 4.463 5.546 -0.320) 7.126 6.371 ( 1.695 -4.796 -2.151) 5.522 6.371 ( 1.695 4.796 -2.151) 5.522 6.943 ( -2.378 -9.217 -6.899) 11.756 6.943 ( -2.378 9.217 -6.899) 11.756 7.772 ( 5.956 -5.276 -2.070) 8.222 7.772 ( 5.956 5.276 -2.070) 8.222 8.316 ( -3.709 -3.559 -4.542) 6.860 8.316 ( -3.709 3.559 -4.542) 6.860 8.839 ( -5.862 -4.800 1.863) 7.802 8.839 ( -5.862 4.800 1.863) 7.802 9.124 ( -3.494 -6.909 10.576) 13.107 9.124 ( -3.494 6.909 10.576) 13.107 10.298 ( 3.003 -12.279 4.883) 13.551 10.298 ( 3.003 12.279 4.883) 13.551 10.828 ( -0.042 -11.879 -4.196) 12.598 10.828 ( -0.042 11.879 -4.196) 12.598 11.545 ( 7.884 -15.097 8.173) 18.891 11.545 ( 7.884 15.097 8.173) 18.891 11.898 ( -0.822 -6.789 1.043) 6.917 11.898 ( -0.822 6.789 1.043) 6.917 12.151 ( -10.930 -8.469 -3.971) 14.386 12.151 ( -10.930 8.469 -3.971) 14.386 12.580 ( 4.467 -7.800 -4.296) 9.963 12.580 ( 4.467 7.800 -4.296) 9.963 13.803 ( -1.785 -5.878 -4.993) 7.916 13.803 ( -1.785 5.878 -4.993) 7.916 14.552 ( 0.213 -1.755 1.310) 2.201 14.552 ( 0.213 1.755 1.310) 2.201 16.156 ( 0.561 -8.104 -0.216) 8.127 16.156 ( 0.561 8.104 -0.216) 8.127 17.219 ( -2.710 -5.266 5.521) 8.096 17.219 ( -2.710 5.266 5.521) 8.096 18.305 ( 2.851 -2.294 1.797) 4.077 18.305 ( 2.851 2.294 1.797) 4.077 18.971 ( 1.092 -3.495 -10.039) 10.686 18.971 ( 1.092 3.495 -10.039) 10.686 ======================= Grid point 281 (153/205) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.381 ( 0.786 -5.791 17.292) 18.252 2.381 ( 0.786 5.791 17.292) 18.252 2.750 ( -2.968 -13.238 1.930) 13.703 2.750 ( -2.968 13.238 1.930) 13.703 3.535 ( 5.038 -6.507 -4.154) 9.219 3.535 ( 5.038 6.507 -4.154) 9.219 3.605 ( 4.843 -9.566 -1.577) 10.838 3.605 ( 4.843 9.566 -1.577) 10.838 4.482 ( 2.837 -7.416 -0.040) 7.940 4.482 ( 2.837 7.416 -0.040) 7.940 5.161 ( 7.756 -6.251 -0.726) 9.988 5.161 ( 7.756 6.251 -0.726) 9.988 6.397 ( 2.449 -5.283 -0.836) 5.883 6.397 ( 2.449 5.283 -0.836) 5.883 6.837 ( 0.384 -5.745 -7.775) 9.675 6.837 ( 0.384 5.745 -7.775) 9.675 7.794 ( 1.171 -2.648 -6.289) 6.924 7.794 ( 1.171 2.648 -6.289) 6.924 8.290 ( 3.712 -5.013 0.319) 6.246 8.290 ( 3.712 5.013 0.319) 6.246 8.815 ( -2.195 -8.191 5.653) 10.192 8.815 ( -2.195 8.191 5.653) 10.192 9.202 ( -0.735 -6.632 10.817) 12.709 9.202 ( -0.735 6.632 10.817) 12.709 10.334 ( -1.370 -6.977 1.187) 7.209 10.334 ( -1.370 6.977 1.187) 7.209 10.795 ( -0.501 -9.911 -2.063) 10.136 10.795 ( -0.501 9.911 -2.063) 10.136 11.456 ( -20.343 -7.374 -1.976) 21.728 11.456 ( -20.343 7.374 -1.976) 21.728 11.753 ( -15.034 -6.538 4.725) 17.061 11.753 ( -15.034 6.538 4.725) 17.061 12.233 ( 14.569 -6.876 4.430) 16.708 12.233 ( 14.569 6.876 4.430) 16.708 12.594 ( 4.141 -8.090 -8.056) 12.145 12.594 ( 4.141 8.090 -8.056) 12.145 13.737 ( -1.045 -3.882 -2.418) 4.691 13.737 ( -1.045 3.882 -2.418) 4.691 14.561 ( -0.315 -1.461 0.880) 1.734 14.561 ( -0.315 1.461 0.880) 1.734 16.138 ( -2.199 -4.646 -0.583) 5.174 16.138 ( -2.199 4.646 -0.583) 5.174 17.174 ( -8.518 -5.450 4.767) 11.179 17.174 ( -8.518 5.450 4.767) 11.179 18.345 ( 0.739 -1.298 0.040) 1.494 18.345 ( 0.739 1.298 0.040) 1.494 18.999 ( 11.902 -4.583 -7.161) 14.627 18.999 ( 11.902 4.583 -7.161) 14.627 ======================= Grid point 283 (154/205) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.564 ( 0.520 -5.911 7.722) 9.739 2.564 ( 0.520 5.911 7.722) 9.739 2.694 ( -2.350 -2.970 4.201) 5.656 2.694 ( -2.350 2.970 4.201) 5.656 3.582 ( 5.589 -9.917 -8.244) 14.055 3.582 ( 5.589 9.917 -8.244) 14.055 3.677 ( 2.642 -10.028 3.934) 11.091 3.677 ( 2.642 10.028 3.934) 11.091 4.546 ( 7.094 -4.767 -3.136) 9.104 4.546 ( 7.094 4.767 -3.136) 9.104 5.310 ( 10.654 -6.614 -2.309) 12.751 5.310 ( 10.654 6.614 -2.309) 12.751 6.417 ( 1.846 -4.837 -2.298) 5.664 6.417 ( 1.846 4.837 -2.298) 5.664 6.837 ( 4.329 -4.426 -0.480) 6.210 6.837 ( 4.329 4.426 -0.480) 6.210 7.745 ( 1.561 -0.505 -4.589) 4.873 7.745 ( 1.561 0.505 -4.589) 4.873 8.377 ( 3.647 -9.088 0.798) 9.825 8.377 ( 3.647 9.088 0.798) 9.825 8.862 ( -0.578 -7.926 7.462) 10.901 8.862 ( -0.578 7.926 7.462) 10.901 9.301 ( 1.318 -10.367 6.856) 12.499 9.301 ( 1.318 10.367 6.856) 12.499 10.306 ( -2.840 -1.777 0.761) 3.435 10.306 ( -2.840 1.777 0.761) 3.435 10.731 ( -4.876 -12.652 -3.530) 14.011 10.731 ( -4.876 12.652 -3.530) 14.011 11.084 ( -13.882 -7.513 -3.674) 16.206 11.084 ( -13.882 7.513 -3.674) 16.207 11.532 ( -19.208 -9.679 8.246) 23.035 11.532 ( -19.208 9.679 8.246) 23.035 12.377 ( -0.589 -6.749 -5.686) 8.845 12.377 ( -0.589 6.749 -5.686) 8.845 12.666 ( 10.661 -9.691 0.734) 14.426 12.666 ( 10.661 9.691 0.734) 14.426 13.732 ( 1.478 -4.471 0.811) 4.778 13.732 ( 1.478 4.471 0.811) 4.778 14.560 ( -0.490 -2.456 0.111) 2.507 14.560 ( -0.490 2.456 0.111) 2.507 16.081 ( -3.297 -4.331 -0.473) 5.464 16.081 ( -3.297 4.331 -0.473) 5.464 17.027 ( -12.825 -4.759 2.594) 13.923 17.027 ( -12.825 4.759 2.594) 13.923 18.369 ( 2.995 -1.306 -0.391) 3.291 18.369 ( 2.995 1.306 -0.391) 3.291 19.175 ( 14.130 -7.063 -4.418) 16.403 19.175 ( 14.130 7.063 -4.418) 16.403 ======================= Grid point 285 (155/205) ======================= q-point: ( 0.33 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.477 ( -3.780 -4.837 -8.830) 10.755 2.477 ( -3.780 4.837 -8.830) 10.755 2.793 ( -1.637 -3.862 8.378) 9.369 2.793 ( -1.637 3.862 8.378) 9.369 3.539 ( 1.357 -8.347 -6.992) 10.973 3.539 ( 1.357 8.347 -6.992) 10.973 3.796 ( 2.020 -8.805 9.507) 13.114 3.796 ( 2.020 8.805 9.507) 13.114 4.652 ( 8.655 -2.881 -3.961) 9.945 4.652 ( 8.655 2.881 -3.961) 9.945 5.443 ( 9.930 -6.336 -7.265) 13.840 5.443 ( 9.930 6.336 -7.265) 13.840 6.428 ( 2.032 -4.161 -1.631) 4.909 6.428 ( 2.032 4.161 -1.631) 4.909 6.932 ( 3.299 -8.060 3.911) 9.547 6.932 ( 3.299 8.060 3.911) 9.547 7.795 ( 7.146 -0.797 0.539) 7.211 7.795 ( 7.146 0.797 0.539) 7.211 8.412 ( 0.437 -9.409 -0.089) 9.420 8.412 ( 0.437 9.409 -0.089) 9.420 8.899 ( -4.840 -2.271 6.703) 8.575 8.899 ( -4.840 2.271 6.703) 8.575 9.378 ( 2.464 -11.887 1.660) 12.253 9.378 ( 2.464 11.887 1.660) 12.253 10.235 ( -2.933 -5.649 -4.146) 7.596 10.235 ( -2.933 5.649 -4.146) 7.596 10.628 ( -2.872 -13.708 0.531) 14.016 10.628 ( -2.872 13.708 0.531) 14.016 10.958 ( -1.322 -11.275 1.640) 11.470 10.958 ( -1.322 11.275 1.640) 11.470 11.274 ( -20.304 -10.082 8.507) 24.213 11.274 ( -20.304 10.082 8.507) 24.213 12.262 ( -0.875 -7.762 -8.935) 11.868 12.262 ( -0.875 7.762 -8.935) 11.868 12.810 ( 2.725 -5.873 0.909) 6.538 12.810 ( 2.725 5.873 0.909) 6.538 13.797 ( 3.499 -5.469 3.297) 7.281 13.797 ( 3.499 5.469 3.297) 7.281 14.543 ( -1.160 -3.983 -1.063) 4.283 14.543 ( -1.160 3.983 -1.063) 4.283 16.038 ( -1.132 -5.522 0.700) 5.681 16.038 ( -1.132 5.522 0.700) 5.681 16.809 ( -13.445 -3.067 -0.287) 13.794 16.809 ( -13.445 3.067 -0.287) 13.794 18.435 ( 3.878 -2.271 0.759) 4.558 18.435 ( 3.878 2.271 0.759) 4.558 19.359 ( 11.464 -8.693 -3.083) 14.714 19.359 ( 11.465 8.693 -3.083) 14.714 ======================= Grid point 287 (156/205) ======================= q-point: (-0.56 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -3.040 -3.160 -8.635) 9.684 2.324 ( -3.040 3.160 -8.635) 9.684 2.720 ( -6.704 -4.793 -6.839) 10.709 2.720 ( -6.704 4.793 -6.839) 10.709 3.562 ( 2.551 -2.389 4.475) 5.678 3.562 ( 2.551 2.389 4.475) 5.678 3.903 ( -2.045 -4.600 10.827) 11.940 3.903 ( -2.045 4.600 10.827) 11.940 4.731 ( 4.150 -1.218 -2.819) 5.162 4.731 ( 4.150 1.218 -2.819) 5.162 5.480 ( 5.619 -6.397 -12.291) 14.952 5.480 ( 5.619 6.397 -12.291) 14.952 6.456 ( 0.973 -4.374 2.019) 4.915 6.456 ( 0.973 4.374 2.019) 4.915 6.995 ( 0.234 -8.852 2.112) 9.103 6.995 ( 0.234 8.852 2.112) 9.103 7.989 ( 11.401 -1.417 4.571) 12.365 7.989 ( 11.401 1.417 4.571) 12.365 8.394 ( -1.569 -3.980 -2.060) 4.748 8.394 ( -1.569 3.980 -2.060) 4.748 8.843 ( -7.829 -7.432 6.173) 12.435 8.843 ( -7.829 7.432 6.173) 12.435 9.397 ( 1.358 -14.624 -4.376) 15.325 9.397 ( 1.358 14.624 -4.376) 15.325 10.188 ( 0.640 -11.282 -0.822) 11.330 10.188 ( 0.640 11.282 -0.822) 11.330 10.596 ( -0.553 -9.989 -2.449) 10.300 10.596 ( -0.553 9.989 -2.449) 10.300 10.985 ( -11.510 -14.767 8.549) 20.582 10.985 ( -11.510 14.767 8.549) 20.582 11.113 ( 1.885 -6.186 7.575) 9.960 11.113 ( 1.885 6.186 7.575) 9.960 12.224 ( 6.082 -8.134 -6.153) 11.875 12.224 ( 6.082 8.134 -6.153) 11.875 12.759 ( -6.338 -5.201 -4.059) 9.149 12.759 ( -6.338 5.201 -4.059) 9.149 13.912 ( 4.724 -4.918 5.353) 8.669 13.912 ( 4.724 4.918 5.353) 8.669 14.489 ( -3.141 -5.011 -2.569) 6.448 14.489 ( -3.141 5.011 -2.569) 6.448 16.072 ( 2.903 -5.760 2.593) 6.951 16.072 ( 2.903 5.760 2.593) 6.951 16.591 ( -9.453 -1.565 -2.538) 9.912 16.591 ( -9.453 1.565 -2.538) 9.912 18.494 ( 1.351 -2.963 1.387) 3.540 18.494 ( 1.351 2.963 1.387) 3.540 19.490 ( 7.152 -9.225 -2.722) 11.986 19.490 ( 7.152 9.225 -2.722) 11.986 ======================= Grid point 289 (157/205) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -0.802 -8.743 -5.959) 10.611 2.215 ( -0.802 8.743 -5.959) 10.611 2.504 ( -7.332 -6.912 -8.678) 13.298 2.504 ( -7.332 6.912 -8.678) 13.298 3.668 ( 2.340 -5.001 6.238) 8.331 3.668 ( 2.340 5.001 6.238) 8.331 3.941 ( -6.276 -0.891 10.780) 12.506 3.941 ( -6.276 0.891 10.780) 12.506 4.731 ( -2.824 -2.114 0.818) 3.622 4.731 ( -2.824 2.114 0.818) 3.622 5.382 ( -0.322 -5.235 -15.418) 16.286 5.382 ( -0.322 5.235 -15.418) 16.286 6.491 ( -1.503 -4.867 5.010) 7.145 6.491 ( -1.503 4.867 5.010) 7.145 6.995 ( -0.411 -8.901 -0.583) 8.929 6.995 ( -0.411 8.901 -0.583) 8.929 8.179 ( 0.583 -5.678 0.546) 5.734 8.179 ( 0.583 5.678 0.546) 5.734 8.336 ( 2.563 -3.066 -2.027) 4.481 8.336 ( 2.563 3.066 -2.027) 4.481 8.800 ( -5.575 -8.942 8.671) 13.646 8.800 ( -5.575 8.942 8.671) 13.646 9.375 ( 4.447 -13.280 -7.291) 15.789 9.375 ( 4.447 13.280 -7.291) 15.789 10.184 ( -4.227 -6.979 2.696) 8.593 10.184 ( -4.227 6.979 2.696) 8.593 10.589 ( 3.595 -6.470 -2.234) 7.731 10.589 ( 3.595 6.470 -2.234) 7.731 10.854 ( -8.705 -17.956 6.413) 20.960 10.854 ( -8.705 17.956 6.413) 20.960 11.361 ( 14.838 -8.532 6.168) 18.193 11.361 ( 14.838 8.532 6.168) 18.193 12.319 ( 7.185 -4.920 -3.944) 9.560 12.319 ( 7.185 4.920 -3.944) 9.560 12.564 ( -7.456 -4.882 -4.655) 10.055 12.564 ( -7.456 4.882 -4.655) 10.055 14.053 ( 4.577 -3.871 5.237) 7.960 14.053 ( 4.577 3.871 5.237) 7.960 14.393 ( -4.019 -5.517 -2.870) 7.404 14.393 ( -4.019 5.517 -2.870) 7.404 16.142 ( 0.132 -6.708 1.937) 6.983 16.142 ( 0.132 6.708 1.937) 6.983 16.493 ( 2.744 -0.139 -1.427) 3.096 16.493 ( 2.744 0.139 -1.427) 3.096 18.499 ( -2.506 -2.595 1.292) 3.832 18.499 ( -2.506 2.595 1.292) 3.832 19.538 ( 2.026 -8.545 -3.647) 9.509 19.538 ( 2.026 8.545 -3.647) 9.509 ======================= Grid point 291 (158/205) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -0.186 -11.959 -2.530) 12.225 2.170 ( -0.186 11.959 -2.530) 12.225 2.353 ( -3.773 -7.580 -0.065) 8.467 2.353 ( -3.773 7.580 -0.065) 8.467 3.738 ( 0.093 -7.765 2.413) 8.132 3.738 ( 0.093 7.765 2.413) 8.132 3.907 ( -9.595 -5.490 9.007) 14.259 3.907 ( -9.595 5.490 9.007) 14.259 4.669 ( -7.479 -5.274 5.158) 10.505 4.669 ( -7.479 5.274 5.158) 10.505 5.185 ( -3.411 -2.833 -15.082) 15.720 5.185 ( -3.411 2.833 -15.082) 15.720 6.494 ( -3.735 -5.183 3.971) 7.522 6.494 ( -3.735 5.183 3.971) 7.522 6.989 ( 0.846 -8.450 -0.709) 8.522 6.989 ( 0.846 8.450 -0.709) 8.522 7.997 ( -11.260 -7.597 -6.219) 14.939 7.997 ( -11.260 7.597 -6.219) 14.939 8.458 ( 6.252 -5.480 0.926) 8.365 8.458 ( 6.252 5.480 0.926) 8.365 8.817 ( -4.689 -9.915 11.056) 15.573 8.817 ( -4.689 9.915 11.056) 15.573 9.424 ( 9.361 -14.961 -7.099) 19.023 9.424 ( 9.361 14.961 -7.099) 19.023 10.059 ( -12.506 -7.165 2.115) 14.568 10.059 ( -12.506 7.165 2.115) 14.568 10.704 ( 11.038 -7.415 -0.225) 13.300 10.704 ( 11.038 7.415 -0.225) 13.300 10.840 ( 1.050 -25.521 2.907) 25.708 10.840 ( 1.050 25.521 2.907) 25.708 11.695 ( 17.757 -7.670 2.414) 19.493 11.695 ( 17.757 7.670 2.414) 19.493 12.192 ( -7.569 -3.860 -9.686) 12.885 12.192 ( -7.569 3.860 -9.686) 12.885 12.600 ( 5.055 -5.232 5.480) 9.108 12.600 ( 5.055 5.232 5.480) 9.108 14.108 ( -1.474 -4.722 -2.507) 5.546 14.108 ( -1.474 4.722 -2.507) 5.546 14.359 ( 1.616 -5.012 2.956) 6.039 14.359 ( 1.616 5.012 2.956) 6.039 16.111 ( -2.038 -8.687 -0.971) 8.976 16.111 ( -2.038 8.687 -0.971) 8.976 16.652 ( 12.474 -1.439 2.904) 12.888 16.652 ( 12.474 1.439 2.904) 12.888 18.437 ( -5.795 -1.411 0.800) 6.018 18.437 ( -5.795 1.411 0.800) 6.018 19.482 ( -2.997 -6.792 -5.710) 9.366 19.482 ( -2.997 6.792 -5.710) 9.366 ======================= Grid point 293 (159/205) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( -1.691 -10.219 2.609) 10.682 2.150 ( -1.691 10.219 2.609) 10.682 2.384 ( 0.847 -10.408 9.532) 14.139 2.384 ( 0.847 10.408 9.532) 14.139 3.704 ( -7.070 -4.646 2.239) 8.751 3.704 ( -7.070 4.646 2.239) 8.751 3.809 ( -7.159 -6.034 1.308) 9.453 3.809 ( -7.159 6.034 1.308) 9.453 4.581 ( -8.494 -8.998 3.881) 12.968 4.581 ( -8.494 8.998 3.881) 12.968 5.021 ( -0.506 -5.102 -7.935) 9.447 5.021 ( -0.506 5.102 -7.935) 9.447 6.448 ( -3.472 -5.329 -0.129) 6.362 6.448 ( -3.472 5.329 -0.129) 6.362 7.010 ( 1.147 -8.530 0.699) 8.635 7.010 ( 1.147 8.530 0.699) 8.635 7.777 ( -6.719 -6.564 -4.321) 10.339 7.777 ( -6.719 6.564 -4.321) 10.339 8.504 ( -0.196 -10.709 -2.186) 10.931 8.504 ( -0.196 10.709 -2.186) 10.931 8.865 ( -4.644 -9.937 14.039) 17.816 8.865 ( -4.644 9.937 14.039) 17.816 9.439 ( -1.125 -10.089 -12.978) 16.476 9.439 ( -1.125 10.089 -12.978) 16.476 9.941 ( -1.524 -4.718 8.173) 9.560 9.941 ( -1.524 4.718 8.173) 9.560 10.853 ( 8.590 -12.300 -8.099) 17.049 10.853 ( 8.590 12.300 -8.099) 17.049 10.979 ( 9.507 -17.923 7.637) 21.678 10.979 ( 9.507 17.923 7.637) 21.678 11.895 ( 4.470 -7.960 -7.413) 11.760 11.895 ( 4.470 7.960 -7.413) 11.760 12.112 ( 8.208 -0.768 1.078) 8.314 12.112 ( 8.208 0.768 1.078) 8.314 12.687 ( -2.538 -2.807 5.064) 6.322 12.687 ( -2.538 2.807 5.064) 6.322 14.005 ( -3.620 -6.492 -6.072) 9.598 14.005 ( -3.620 6.492 -6.072) 9.598 14.451 ( 3.265 -3.767 3.710) 6.214 14.451 ( 3.265 3.767 3.710) 6.214 16.096 ( 1.351 -10.510 -0.736) 10.622 16.096 ( 1.351 10.510 -0.736) 10.622 16.914 ( 12.389 -3.003 5.013) 13.698 16.914 ( 12.389 3.003 5.013) 13.698 18.334 ( -6.296 -0.567 0.374) 6.332 18.334 ( -6.296 0.567 0.374) 6.332 19.329 ( -6.358 -4.666 -7.998) 11.232 19.329 ( -6.358 4.666 -7.998) 11.232 ======================= Grid point 295 (160/205) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -2.353 -11.798 7.946) 14.418 2.170 ( -2.353 11.798 7.946) 14.418 2.539 ( 2.219 -16.599 14.237) 21.981 2.539 ( 2.219 16.599 14.237) 21.981 3.578 ( -9.845 -9.058 4.609) 14.150 3.578 ( -9.845 9.058 4.609) 14.150 3.701 ( -1.748 -4.802 -7.885) 9.396 3.701 ( -1.748 4.802 -7.885) 9.396 4.477 ( -5.108 -10.105 0.688) 11.343 4.477 ( -5.108 10.105 0.688) 11.343 5.007 ( 2.720 -6.077 -0.690) 6.694 5.007 ( 2.720 6.077 -0.690) 6.694 6.391 ( -1.024 -4.975 -2.711) 5.758 6.391 ( -1.024 4.975 -2.711) 5.758 7.016 ( -0.787 -9.768 -1.478) 9.911 7.016 ( -0.787 9.768 -1.478) 9.911 7.707 ( 1.744 -5.970 -1.394) 6.374 7.707 ( 1.744 5.970 -1.394) 6.374 8.434 ( -3.445 -10.015 -4.349) 11.449 8.434 ( -3.445 10.015 -4.349) 11.449 8.914 ( -6.455 -9.311 10.968) 15.769 8.914 ( -6.455 9.311 10.968) 15.769 9.190 ( -9.153 -7.412 -7.105) 13.754 9.190 ( -9.153 7.412 -7.105) 13.755 10.127 ( 7.608 -10.257 9.540) 15.941 10.127 ( 7.608 10.257 9.540) 15.941 10.869 ( 2.886 -12.315 -7.254) 14.581 10.869 ( 2.886 12.315 -7.254) 14.581 11.249 ( 14.381 -17.879 5.373) 23.566 11.249 ( 14.381 17.879 5.373) 23.566 11.884 ( 1.577 -12.032 -1.274) 12.201 11.884 ( 1.577 12.032 -1.274) 12.201 12.271 ( 5.598 -2.819 -2.232) 6.654 12.271 ( 5.598 2.819 -2.232) 6.654 12.616 ( -7.417 -2.284 1.010) 7.827 12.616 ( -7.417 2.284 1.010) 7.827 13.892 ( -2.251 -7.144 -5.998) 9.596 13.892 ( -2.251 7.144 -5.998) 9.596 14.522 ( 1.586 -2.552 2.037) 3.630 14.522 ( 1.586 2.552 2.037) 3.630 16.129 ( 2.460 -10.618 -0.147) 10.900 16.129 ( 2.460 10.618 -0.147) 10.900 17.136 ( 6.052 -4.574 5.815) 9.559 17.136 ( 6.052 4.574 5.815) 9.559 18.266 ( -1.362 -1.509 0.916) 2.229 18.266 ( -1.362 1.509 0.916) 2.229 19.126 ( -6.016 -3.710 -9.698) 12.000 19.126 ( -6.016 3.710 -9.698) 12.000 ======================= Grid point 324 (161/205) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( -0.404 0.000 8.184) 8.194 1.560 ( 2.240 0.000 5.416) 5.861 2.751 ( 0.240 0.000 -0.106) 0.262 2.803 ( -1.261 0.000 -5.286) 5.434 2.927 ( -0.116 0.000 4.355) 4.357 3.075 ( -1.824 0.000 -9.715) 9.885 3.614 ( -5.382 0.000 35.417) 35.823 4.151 ( 7.280 0.000 -17.167) 18.647 4.359 ( -3.292 0.000 6.334) 7.139 4.392 ( 3.056 0.000 -1.225) 3.293 5.136 ( -6.664 0.000 3.948) 7.746 5.265 ( 7.373 0.000 -9.017) 11.647 6.144 ( 1.600 0.000 1.392) 2.121 6.229 ( -1.047 0.000 -6.958) 7.037 7.096 ( 6.221 0.000 4.919) 7.931 7.242 ( -9.360 0.000 -8.835) 12.871 7.666 ( -6.261 0.000 3.257) 7.057 7.750 ( 4.874 0.000 -5.286) 7.190 8.401 ( 7.482 0.000 2.587) 7.917 8.433 ( -6.287 0.000 -0.932) 6.355 9.078 ( 0.679 0.000 14.374) 14.390 9.212 ( -9.334 0.000 3.550) 9.986 9.430 ( 19.883 0.000 7.744) 21.337 9.457 ( 1.062 0.000 -0.247) 1.091 9.576 ( -5.693 0.000 6.455) 8.607 9.968 ( -7.784 0.000 -17.527) 19.177 10.267 ( 6.959 0.000 6.271) 9.367 10.532 ( -3.168 0.000 -15.613) 15.932 11.004 ( 8.583 0.000 -2.552) 8.955 11.023 ( -8.794 0.000 -3.699) 9.540 11.717 ( 12.350 0.000 2.308) 12.564 11.787 ( -14.371 0.000 -4.588) 15.086 13.199 ( -12.533 0.000 0.803) 12.559 13.213 ( 11.417 0.000 -0.912) 11.453 13.455 ( 9.285 0.000 3.717) 10.001 13.496 ( -12.179 0.000 -0.800) 12.205 13.839 ( -19.787 0.000 0.709) 19.800 13.862 ( 18.783 0.000 -1.764) 18.866 14.802 ( 5.115 0.000 1.943) 5.472 14.828 ( -5.614 0.000 -0.835) 5.675 15.375 ( -9.465 0.000 11.196) 14.661 15.573 ( 11.394 0.000 -9.613) 14.907 16.783 ( -11.497 0.000 0.436) 11.505 16.812 ( 10.932 0.000 -2.357) 11.183 18.227 ( -4.151 0.000 -0.065) 4.152 18.234 ( 6.045 0.000 -0.674) 6.082 18.668 ( -18.357 0.000 1.175) 18.395 18.676 ( 20.076 0.000 0.411) 20.080 ======================= Grid point 325 (162/205) ======================= q-point: ( 0.11 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 16.091 0.000 0.573) 16.101 1.736 ( 16.084 0.000 -4.428) 16.682 2.782 ( 1.908 0.000 -3.937) 4.375 2.821 ( 5.180 0.000 5.806) 7.781 2.934 ( -3.078 0.000 -5.998) 6.742 2.961 ( -4.972 0.000 11.097) 12.160 3.913 ( 3.164 0.000 22.147) 22.372 4.083 ( 13.950 0.000 -27.752) 31.061 4.367 ( 0.449 0.000 0.314) 0.548 4.475 ( 5.988 0.000 -0.334) 5.997 5.023 ( -12.424 0.000 6.939) 14.231 5.262 ( 2.330 0.000 -7.824) 8.164 6.147 ( -1.108 0.000 -4.787) 4.913 6.199 ( 1.455 0.000 4.408) 4.642 7.053 ( -3.645 0.000 -4.676) 5.929 7.335 ( 11.061 0.000 10.339) 15.141 7.638 ( -1.968 0.000 5.974) 6.289 7.830 ( 8.992 0.000 -3.605) 9.688 8.244 ( -13.107 0.000 -2.281) 13.304 8.459 ( -3.874 0.000 -0.534) 3.911 9.065 ( -4.420 0.000 -3.729) 5.783 9.073 ( -17.841 0.000 9.400) 20.166 9.424 ( 5.077 0.000 -10.290) 11.474 9.431 ( -5.194 0.000 -0.122) 5.195 9.767 ( 4.392 0.000 -15.790) 16.389 9.936 ( 7.837 0.000 19.120) 20.663 10.408 ( 10.426 0.000 -14.696) 18.019 10.477 ( 4.126 0.000 12.839) 13.486 10.902 ( -2.066 0.000 -0.309) 2.089 11.176 ( 10.933 0.000 0.191) 10.935 11.493 ( -14.916 0.000 -0.936) 14.946 11.944 ( 8.613 0.000 5.761) 10.362 12.976 ( -14.054 0.000 1.033) 14.092 13.139 ( -19.454 0.000 2.326) 19.593 13.493 ( 11.962 0.000 0.261) 11.964 13.552 ( -13.858 0.000 0.156) 13.859 13.638 ( 7.469 0.000 3.338) 8.181 14.116 ( 11.059 0.000 -0.106) 11.060 14.691 ( -9.045 0.000 -0.195) 9.047 14.834 ( -5.044 0.000 0.875) 5.120 15.369 ( -1.015 0.000 8.237) 8.299 15.642 ( 8.863 0.000 -11.231) 14.307 16.575 ( -13.314 0.000 2.047) 13.471 16.918 ( 2.185 0.000 -1.235) 2.510 18.224 ( 4.385 0.000 1.294) 4.572 18.382 ( 12.178 0.000 -3.937) 12.798 18.415 ( -10.483 0.000 -0.557) 10.498 19.041 ( 22.983 0.000 -2.269) 23.095 ======================= Grid point 326 (163/205) ======================= q-point: ( 0.22 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.968 ( 20.385 0.000 -12.138) 23.725 2.034 ( 23.330 0.000 -7.517) 24.512 2.704 ( -7.067 0.000 -0.263) 7.072 2.870 ( -10.849 0.000 8.954) 14.067 2.932 ( 6.462 0.000 -1.948) 6.749 3.147 ( 11.704 0.000 16.369) 20.123 4.057 ( -0.878 0.000 -0.796) 1.185 4.110 ( 22.165 0.000 -27.082) 34.996 4.404 ( 2.991 0.000 2.279) 3.760 4.552 ( 5.718 0.000 -5.204) 7.731 4.887 ( -13.676 0.000 11.489) 17.861 5.188 ( -1.772 0.000 -7.634) 7.837 6.117 ( 0.928 0.000 0.037) 0.929 6.278 ( 1.496 0.000 5.495) 5.695 7.023 ( 0.882 0.000 2.068) 2.249 7.588 ( 6.810 0.000 4.372) 8.093 7.725 ( 1.417 0.000 10.512) 10.607 7.960 ( 9.751 0.000 -2.987) 10.198 7.968 ( -14.853 0.000 -2.792) 15.113 8.238 ( -15.903 0.000 -5.767) 16.917 8.839 ( -8.418 0.000 -0.812) 8.457 9.069 ( 8.165 0.000 -4.073) 9.125 9.304 ( -7.243 0.000 -3.184) 7.912 9.417 ( 1.949 0.000 -4.681) 5.071 9.730 ( 1.834 0.000 -5.231) 5.543 10.101 ( 1.424 0.000 7.580) 7.712 10.581 ( -8.776 0.000 14.133) 16.636 10.600 ( 17.012 0.000 -7.705) 18.675 10.967 ( 7.078 0.000 3.069) 7.715 11.108 ( -11.523 0.000 -1.382) 11.606 11.541 ( 11.309 0.000 8.729) 14.286 12.096 ( -0.601 0.000 8.845) 8.865 12.724 ( -16.228 0.000 -1.095) 16.265 12.862 ( -12.634 0.000 0.453) 12.642 13.376 ( -5.564 0.000 0.115) 5.565 13.702 ( 10.878 0.000 0.013) 10.878 13.773 ( 4.293 0.000 2.865) 5.161 14.222 ( 2.092 0.000 -0.758) 2.225 14.534 ( -9.869 0.000 1.807) 10.033 14.676 ( -10.821 0.000 -0.250) 10.824 15.487 ( 4.815 0.000 4.753) 6.765 15.652 ( 6.257 0.000 -11.654) 13.227 16.396 ( -10.648 0.000 3.425) 11.185 16.830 ( -10.191 0.000 -2.099) 10.405 18.325 ( -0.182 0.000 0.377) 0.419 18.434 ( 13.857 0.000 9.245) 16.658 18.530 ( 11.349 0.000 -7.229) 13.456 19.389 ( 21.846 0.000 -5.454) 22.516 ======================= Grid point 327 (164/205) ======================= q-point: ( 0.33 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 20.659 0.000 -15.048) 25.559 2.276 ( 16.317 0.000 -13.868) 21.414 2.581 ( -10.195 0.000 5.437) 11.554 2.705 ( -17.148 0.000 7.412) 18.681 3.097 ( 14.395 0.000 -0.180) 14.396 3.558 ( 12.840 0.000 19.023) 22.951 3.921 ( -7.461 0.000 -7.103) 10.301 4.279 ( 26.164 0.000 -22.116) 34.259 4.478 ( 1.851 0.000 2.143) 2.832 4.552 ( 1.832 0.000 -7.903) 8.113 4.785 ( -12.159 0.000 10.610) 16.137 5.052 ( -4.046 0.000 -9.005) 9.872 6.174 ( 2.407 0.000 4.325) 4.950 6.345 ( 0.623 0.000 3.575) 3.629 7.091 ( 1.232 0.000 6.340) 6.459 7.606 ( -7.381 0.000 -2.205) 7.703 7.656 ( -6.061 0.000 -6.235) 8.695 7.892 ( -16.065 0.000 -5.017) 16.830 7.944 ( 3.981 0.000 11.884) 12.533 8.094 ( 8.814 0.000 -2.968) 9.300 8.837 ( 6.090 0.000 -0.541) 6.114 9.060 ( -2.689 0.000 -9.915) 10.273 9.309 ( 14.568 0.000 -4.342) 15.201 9.399 ( -0.991 0.000 1.149) 1.518 9.683 ( -7.960 0.000 4.895) 9.345 10.183 ( -4.607 0.000 5.660) 7.298 10.539 ( -10.183 0.000 14.313) 17.566 10.608 ( 1.223 0.000 -9.636) 9.714 11.115 ( 3.526 0.000 5.049) 6.158 11.115 ( 8.941 0.000 3.383) 9.559 11.828 ( 11.027 0.000 7.893) 13.561 12.096 ( -7.135 0.000 6.786) 9.846 12.394 ( -18.341 0.000 -4.768) 18.950 12.678 ( -8.708 0.000 -5.571) 10.337 13.442 ( 10.004 0.000 6.307) 11.826 13.825 ( -0.568 0.000 1.046) 1.191 13.841 ( 6.378 0.000 -1.619) 6.580 14.223 ( 2.904 0.000 -3.729) 4.726 14.403 ( -8.676 0.000 3.754) 9.454 14.521 ( -8.443 0.000 1.172) 8.524 15.569 ( 0.011 0.000 1.971) 1.971 15.631 ( 5.194 0.000 -11.176) 12.324 16.286 ( -6.446 0.000 3.710) 7.438 16.583 ( -13.603 0.000 -2.860) 13.900 18.378 ( 3.228 0.000 2.716) 4.219 18.616 ( 8.107 0.000 -8.699) 11.891 18.836 ( 14.538 0.000 18.473) 23.508 19.656 ( 18.009 0.000 -9.853) 20.528 ======================= Grid point 328 (165/205) ======================= q-point: ( 0.44 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.289 ( -6.808 0.000 0.338) 6.817 2.319 ( 4.055 0.000 -7.940) 8.915 2.508 ( 2.813 0.000 -4.187) 5.044 2.521 ( -2.928 0.000 0.520) 2.974 3.386 ( 18.412 0.000 -0.598) 18.422 3.645 ( -14.692 0.000 -0.876) 14.718 3.971 ( 8.168 0.000 16.698) 18.589 4.449 ( -4.923 0.000 -7.507) 8.977 4.467 ( -11.507 0.000 7.526) 13.749 4.519 ( 24.278 0.000 -17.326) 29.826 4.702 ( -3.417 0.000 3.483) 4.879 4.881 ( -4.267 0.000 -9.605) 10.510 6.260 ( 1.357 0.000 5.424) 5.591 6.371 ( 0.238 0.000 0.189) 0.304 7.175 ( -0.136 0.000 8.054) 8.056 7.416 ( -5.065 0.000 -5.605) 7.554 7.582 ( 0.806 0.000 -4.314) 4.388 7.625 ( -10.238 0.000 -2.010) 10.434 8.103 ( -0.043 0.000 10.314) 10.314 8.195 ( 5.519 0.000 -1.753) 5.791 8.893 ( 2.300 0.000 -6.432) 6.831 8.947 ( 2.977 0.000 -10.713) 11.120 9.433 ( -9.817 0.000 16.204) 18.946 9.560 ( 21.296 0.000 -9.336) 23.253 9.602 ( 0.111 0.000 4.397) 4.398 9.955 ( -18.155 0.000 -3.719) 18.532 10.575 ( -4.272 0.000 15.744) 16.314 10.683 ( 8.125 0.000 0.743) 8.159 11.168 ( -3.503 0.000 5.774) 6.753 11.302 ( 11.508 0.000 -5.018) 12.554 12.044 ( -2.442 0.000 0.654) 2.528 12.056 ( -0.514 0.000 2.205) 2.264 12.077 ( -3.334 0.000 1.901) 3.838 12.440 ( -9.587 0.000 -8.520) 12.825 13.713 ( 5.609 0.000 8.234) 9.963 13.810 ( -0.583 0.000 -0.183) 0.611 13.951 ( 12.397 0.000 0.653) 12.414 14.255 ( 1.972 0.000 -3.221) 3.777 14.313 ( -6.639 0.000 3.803) 7.651 14.372 ( -7.596 0.000 -2.403) 7.967 15.524 ( -7.726 0.000 3.490) 8.478 15.613 ( 4.981 0.000 -9.250) 10.506 16.254 ( -1.065 0.000 3.115) 3.292 16.378 ( -6.005 0.000 -2.772) 6.613 18.456 ( 0.951 0.000 4.616) 4.713 18.630 ( 3.864 0.000 -8.663) 9.485 19.227 ( 5.943 0.000 21.431) 22.240 19.777 ( 10.954 0.000 -16.327) 19.661 ======================= Grid point 329 (166/205) ======================= q-point: (-0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( -19.422 0.000 11.260) 22.450 2.173 ( -15.732 0.000 8.702) 17.978 2.586 ( 11.562 0.000 -5.626) 12.859 2.623 ( 15.160 0.000 -11.050) 18.760 3.347 ( -19.902 0.000 1.851) 19.988 3.672 ( 16.178 0.000 -2.332) 16.346 4.206 ( -9.195 0.000 16.651) 19.021 4.218 ( -13.069 0.000 -8.291) 15.477 4.242 ( -16.108 0.000 11.988) 20.079 4.653 ( 3.896 0.000 -12.769) 13.350 4.767 ( 5.837 0.000 2.826) 6.485 4.811 ( 11.950 0.000 -7.863) 14.305 6.324 ( 0.348 0.000 4.556) 4.569 6.354 ( -0.363 0.000 -3.554) 3.572 7.265 ( 1.448 0.000 9.206) 9.319 7.320 ( -0.700 0.000 -5.970) 6.010 7.513 ( -3.038 0.000 1.912) 3.590 7.609 ( 5.736 0.000 -0.216) 5.740 8.139 ( -4.683 0.000 5.315) 7.083 8.233 ( 1.186 0.000 -2.948) 3.178 8.830 ( -2.397 0.000 -1.154) 2.660 8.927 ( 5.132 0.000 -10.179) 11.400 9.318 ( -17.276 0.000 14.699) 22.683 9.579 ( -14.123 0.000 -2.757) 14.389 9.852 ( 16.363 0.000 6.462) 17.593 9.859 ( 22.557 0.000 -16.416) 27.898 10.633 ( -6.463 0.000 9.397) 11.405 10.761 ( 1.789 0.000 -3.381) 3.826 11.135 ( -7.660 0.000 8.020) 11.090 11.343 ( 3.412 0.000 -11.444) 11.942 12.014 ( 4.837 0.000 4.281) 6.460 12.066 ( 7.042 0.000 -0.883) 7.097 12.210 ( -7.273 0.000 -8.306) 11.041 12.282 ( 9.457 0.000 6.805) 11.651 13.769 ( -1.737 0.000 4.296) 4.634 13.805 ( -0.440 0.000 -0.358) 0.567 14.018 ( -18.298 0.000 -7.033) 19.603 14.188 ( -1.038 0.000 3.824) 3.963 14.312 ( 10.505 0.000 3.416) 11.047 14.375 ( 6.264 0.000 -2.948) 6.923 15.431 ( -9.571 0.000 9.398) 13.414 15.615 ( 3.853 0.000 -5.623) 6.817 16.322 ( 2.531 0.000 -3.667) 4.455 16.325 ( 6.428 0.000 2.543) 6.913 18.494 ( -2.656 0.000 5.592) 6.191 18.572 ( -0.892 0.000 -7.575) 7.627 19.438 ( -4.985 0.000 18.276) 18.944 19.669 ( -0.490 0.000 -23.864) 23.869 ======================= Grid point 330 (167/205) ======================= q-point: (-0.33 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( -21.777 0.000 15.007) 26.447 2.000 ( -18.608 0.000 13.924) 23.241 2.750 ( 12.352 0.000 -11.313) 16.750 2.775 ( 13.750 0.000 -0.827) 13.775 3.041 ( -19.394 0.000 6.313) 20.395 3.836 ( -18.658 0.000 -6.849) 19.875 3.884 ( 10.250 0.000 -5.539) 11.651 3.896 ( -29.412 0.000 16.403) 33.677 4.325 ( -5.557 0.000 14.495) 15.524 4.561 ( -0.369 0.000 -7.201) 7.210 4.923 ( 6.939 0.000 5.092) 8.607 4.967 ( 13.755 0.000 -8.664) 16.256 6.285 ( -1.671 0.000 -6.323) 6.540 6.365 ( 0.424 0.000 1.841) 1.890 7.234 ( -1.853 0.000 -7.172) 7.408 7.434 ( 3.240 0.000 14.038) 14.407 7.556 ( 6.539 0.000 2.493) 6.998 7.778 ( 10.092 0.000 6.063) 11.773 8.066 ( -6.554 0.000 0.742) 6.596 8.158 ( -3.827 0.000 -7.740) 8.635 8.846 ( -4.387 0.000 -6.159) 7.562 8.854 ( 0.666 0.000 9.863) 9.886 9.180 ( -11.980 0.000 7.152) 13.953 9.420 ( -2.034 0.000 -1.647) 2.617 9.995 ( 13.943 0.000 -22.287) 26.289 10.179 ( 11.292 0.000 7.032) 13.302 10.522 ( -9.939 0.000 0.214) 9.942 10.743 ( 4.750 0.000 -5.904) 7.577 11.090 ( -5.384 0.000 5.598) 7.767 11.242 ( -3.061 0.000 -8.376) 8.918 12.000 ( -7.786 0.000 -9.222) 12.069 12.206 ( 13.698 0.000 -3.334) 14.098 12.310 ( 18.983 0.000 3.601) 19.322 12.530 ( 9.842 0.000 8.729) 13.156 13.591 ( -16.421 0.000 -9.054) 18.752 13.793 ( -5.550 0.000 3.012) 6.315 13.808 ( 1.467 0.000 3.448) 3.747 14.138 ( -4.984 0.000 4.502) 6.716 14.459 ( 6.644 0.000 -2.218) 7.004 14.537 ( 10.171 0.000 -0.058) 10.171 15.400 ( -7.739 0.000 12.921) 15.061 15.614 ( 0.432 0.000 -2.775) 2.809 16.369 ( 7.566 0.000 -4.678) 8.896 16.527 ( 13.397 0.000 2.881) 13.703 18.455 ( -4.522 0.000 -5.445) 7.078 18.480 ( -5.618 0.000 5.599) 7.932 19.272 ( -15.042 0.000 -26.960) 30.872 19.434 ( -13.632 0.000 12.954) 18.805 ======================= Grid point 331 (168/205) ======================= q-point: (-0.22 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -20.058 0.000 16.323) 25.861 1.798 ( -22.378 0.000 15.122) 27.008 2.769 ( -0.810 0.000 -3.860) 3.944 2.900 ( -1.655 0.000 2.292) 2.827 2.987 ( 10.459 0.000 -1.729) 10.601 3.398 ( -18.559 0.000 -9.569) 20.881 3.595 ( -28.219 0.000 23.312) 36.603 4.018 ( 7.122 0.000 -0.383) 7.133 4.350 ( -7.992 0.000 14.125) 16.229 4.495 ( 0.238 0.000 -6.432) 6.436 5.078 ( 4.603 0.000 4.873) 6.703 5.096 ( 12.447 0.000 -9.611) 15.726 6.186 ( -1.533 0.000 -6.436) 6.616 6.366 ( -0.031 0.000 -2.631) 2.632 7.120 ( -2.525 0.000 -6.960) 7.404 7.553 ( -2.698 0.000 7.997) 8.440 7.820 ( 13.474 0.000 5.257) 14.463 7.894 ( -8.982 0.000 4.575) 10.080 7.987 ( -1.943 0.000 -8.348) 8.571 8.118 ( 14.702 0.000 5.493) 15.694 8.751 ( -1.427 0.000 2.573) 2.943 8.974 ( -4.140 0.000 6.765) 7.931 9.120 ( 0.136 0.000 12.523) 12.524 9.384 ( -2.187 0.000 -1.510) 2.658 9.904 ( 3.190 0.000 -20.376) 20.624 10.241 ( -2.428 0.000 -6.769) 7.192 10.441 ( -7.231 0.000 8.997) 11.543 10.818 ( 10.284 0.000 -7.942) 12.993 11.060 ( -8.643 0.000 -7.763) 11.618 11.101 ( 4.191 0.000 0.749) 4.258 11.750 ( -8.369 0.000 -11.909) 14.556 12.281 ( 0.247 0.000 -10.377) 10.380 12.695 ( 20.129 0.000 1.941) 20.222 12.801 ( 14.054 0.000 6.861) 15.639 13.389 ( 1.027 0.000 -0.888) 1.358 13.688 ( -9.564 0.000 1.208) 9.640 13.814 ( -3.544 0.000 -1.306) 3.777 14.177 ( 2.208 0.000 4.594) 5.097 14.559 ( 6.933 0.000 -0.732) 6.972 14.677 ( 8.753 0.000 -0.509) 8.767 15.410 ( -7.294 0.000 13.586) 15.420 15.562 ( -2.691 0.000 -3.211) 4.190 16.478 ( 10.901 0.000 -4.901) 11.952 16.786 ( 11.680 0.000 2.380) 11.920 18.345 ( -2.311 0.000 -1.938) 3.016 18.419 ( -7.415 0.000 4.487) 8.666 18.693 ( -22.115 0.000 -18.384) 28.759 19.258 ( -18.812 0.000 8.063) 20.467 ======================= Grid point 332 (169/205) ======================= q-point: (-0.11 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -13.941 0.000 14.229) 19.920 1.590 ( -16.207 0.000 12.526) 20.483 2.752 ( 0.520 0.000 0.281) 0.591 2.905 ( 1.400 0.000 -2.527) 2.889 2.961 ( -8.126 0.000 -7.596) 11.123 3.158 ( 1.576 0.000 -7.813) 7.970 3.463 ( -20.112 0.000 34.551) 39.978 4.123 ( 5.388 0.000 -0.427) 5.405 4.353 ( -6.879 0.000 11.890) 13.737 4.425 ( 0.472 0.000 -8.332) 8.345 5.159 ( -0.436 0.000 3.642) 3.668 5.199 ( 11.248 0.000 -10.005) 15.054 6.128 ( 0.619 0.000 -2.887) 2.953 6.313 ( -0.591 0.000 -6.322) 6.350 7.039 ( -0.007 0.000 -3.008) 3.008 7.478 ( -8.825 0.000 -3.129) 9.363 7.768 ( -8.903 0.000 2.813) 9.337 7.791 ( -1.257 0.000 -8.360) 8.454 8.187 ( 13.420 0.000 3.946) 13.988 8.411 ( 8.793 0.000 4.485) 9.870 8.941 ( -2.034 0.000 7.373) 7.648 8.946 ( 13.538 0.000 16.115) 21.046 9.312 ( -6.236 0.000 2.539) 6.733 9.337 ( 4.876 0.000 12.517) 13.433 9.735 ( -2.091 0.000 -14.400) 14.551 10.168 ( 1.667 0.000 -2.572) 3.065 10.285 ( -13.046 0.000 -4.838) 13.914 10.775 ( -5.561 0.000 -15.259) 16.240 10.926 ( 4.471 0.000 -3.120) 5.452 11.180 ( -2.100 0.000 0.543) 2.169 11.563 ( 3.935 0.000 -8.290) 9.177 12.067 ( -11.500 0.000 -7.231) 13.585 12.996 ( 15.141 0.000 -1.101) 15.181 13.130 ( 16.074 0.000 3.602) 16.472 13.469 ( -9.149 0.000 2.599) 9.511 13.578 ( 11.999 0.000 -2.295) 12.217 13.689 ( -8.323 0.000 -2.065) 8.575 14.132 ( -10.971 0.000 -1.551) 11.080 14.679 ( 6.788 0.000 1.084) 6.874 14.838 ( 6.415 0.000 0.429) 6.429 15.412 ( -8.654 0.000 12.928) 15.557 15.504 ( 3.593 0.000 -5.930) 6.934 16.636 ( 12.710 0.000 -4.053) 13.341 16.900 ( -1.090 0.000 0.568) 1.229 18.277 ( -10.337 0.000 -4.475) 11.264 18.323 ( -7.501 0.000 2.229) 7.825 18.399 ( 9.751 0.000 0.949) 9.797 18.980 ( -20.551 0.000 4.198) 20.976 ======================= Grid point 333 (170/205) ======================= q-point: ( 0.00 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 6.089 15.913 7.914) 18.786 1.743 ( -4.393 16.113 5.783) 17.675 2.827 ( -2.010 1.084 1.527) 2.747 2.847 ( 0.207 8.305 -2.770) 8.758 2.915 ( 0.463 0.337 2.662) 2.723 3.066 ( -1.844 -0.905 -10.396) 10.597 3.695 ( -4.604 7.414 30.771) 31.985 4.163 ( 6.434 -0.138 -11.969) 13.589 4.301 ( -2.530 -4.497 5.516) 7.553 4.352 ( 2.576 -3.036 -4.895) 6.310 5.115 ( -6.305 -1.839 4.151) 7.769 5.235 ( 7.440 -2.605 -8.203) 11.376 6.158 ( 1.342 1.432 1.669) 2.576 6.245 ( -0.863 1.569 -6.857) 7.087 7.032 ( 4.757 -5.792 5.646) 9.384 7.198 ( -8.140 -4.120 -10.052) 13.575 7.664 ( -0.140 -0.186 2.915) 2.924 7.739 ( -0.473 0.089 -4.938) 4.961 8.358 ( 11.061 -4.284 2.323) 12.087 8.396 ( -10.729 -3.388 -1.884) 11.408 8.943 ( -3.832 -8.209 11.289) 14.475 9.139 ( 5.183 -9.688 -7.720) 13.428 9.450 ( 5.650 6.451 14.817) 17.119 9.582 ( -5.852 3.242 6.858) 9.581 9.662 ( 0.792 10.518 8.041) 13.263 10.027 ( -0.867 5.550 -18.841) 19.661 10.377 ( 2.499 8.945 7.818) 12.140 10.643 ( -0.017 8.837 -15.622) 17.948 11.028 ( 5.071 3.643 0.340) 6.253 11.099 ( -6.143 6.840 -5.988) 10.972 11.739 ( 10.751 1.751 2.619) 11.203 11.815 ( -12.101 2.717 -4.865) 13.323 12.976 ( 3.446 -19.679 3.234) 20.239 13.026 ( -7.771 -16.381 -2.112) 18.253 13.307 ( -2.625 -13.842 3.131) 14.433 13.342 ( 2.958 -10.878 -0.586) 11.289 13.819 ( -10.012 -3.626 3.420) 11.184 13.892 ( 8.745 -0.773 -4.131) 9.702 14.649 ( 6.463 -7.184 4.521) 10.668 14.716 ( -5.908 -5.754 -2.400) 8.589 15.579 ( -1.927 14.875 12.775) 19.702 15.827 ( 2.754 16.110 -13.367) 21.114 16.854 ( -9.800 6.562 1.945) 11.953 16.908 ( 9.147 8.919 -3.532) 13.255 18.236 ( 4.850 0.678 0.514) 4.924 18.253 ( -3.848 1.954 -1.263) 4.497 18.669 ( 2.509 0.787 2.585) 3.687 18.713 ( -0.056 2.847 -1.979) 3.468 ======================= Grid point 334 (171/205) ======================= q-point: ( 0.11 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 8.032 9.892 -2.679) 13.021 1.990 ( 17.755 17.283 -1.073) 24.801 2.833 ( -1.199 3.882 -1.586) 4.361 2.868 ( 1.734 3.031 3.252) 4.772 2.930 ( -1.796 -0.440 -1.465) 2.359 2.985 ( 1.362 4.018 6.971) 8.160 3.941 ( 1.640 2.987 17.690) 18.015 4.101 ( 9.964 -0.192 -22.795) 24.878 4.338 ( 3.999 -0.892 0.225) 4.103 4.424 ( 6.637 -4.987 -0.611) 8.324 5.004 ( -11.473 -1.456 5.466) 12.792 5.252 ( 3.508 -0.807 -7.297) 8.137 6.153 ( -1.500 0.946 -2.996) 3.481 6.228 ( 2.073 2.461 2.732) 4.221 7.014 ( -2.853 -3.811 -5.093) 6.971 7.267 ( 10.582 -6.203 11.279) 16.664 7.616 ( -2.326 -0.383 0.902) 2.524 7.833 ( 8.513 -0.731 -0.036) 8.544 8.151 ( -13.515 -5.344 -1.945) 14.663 8.500 ( 0.225 0.230 1.536) 1.569 8.966 ( -6.550 -6.195 9.096) 12.807 9.058 ( -1.507 -5.569 -9.352) 10.989 9.361 ( -8.436 2.441 -7.583) 11.603 9.601 ( -3.836 9.715 7.199) 12.685 9.862 ( 4.763 9.239 -16.928) 19.865 9.963 ( 9.499 0.551 15.496) 18.185 10.425 ( -0.028 4.479 -5.091) 6.781 10.556 ( 0.375 4.539 1.986) 4.969 10.958 ( -0.485 4.929 -2.000) 5.341 11.243 ( 11.364 6.619 3.285) 13.555 11.521 ( -15.558 2.010 -1.749) 15.785 11.966 ( 9.198 2.319 5.027) 10.736 12.819 ( -12.367 -12.657 -0.191) 17.697 12.995 ( -11.419 -17.475 7.001) 22.018 13.223 ( -4.359 -15.471 0.403) 16.078 13.401 ( 5.090 -10.078 -1.992) 11.465 13.757 ( -0.904 2.190 3.450) 4.186 14.056 ( 10.419 -8.947 -1.166) 13.783 14.560 ( -8.105 -3.281 -3.939) 9.590 14.768 ( 2.386 -6.739 2.948) 7.732 15.552 ( -7.550 15.303 1.965) 17.177 15.841 ( 7.050 13.043 -3.319) 15.193 16.672 ( -12.918 9.023 2.871) 16.017 16.981 ( 0.869 5.798 -2.084) 6.222 18.231 ( 3.498 0.642 0.052) 3.557 18.334 ( 1.459 -1.591 -0.066) 2.160 18.514 ( 1.212 6.417 -3.112) 7.234 19.038 ( 21.997 -0.355 -2.034) 22.094 ======================= Grid point 335 (172/205) ======================= q-point: ( 0.22 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.937 ( 17.217 2.479 -9.241) 19.697 2.248 ( 18.938 13.534 -11.901) 26.143 2.698 ( -8.896 -0.980 -1.483) 9.072 2.894 ( -9.135 2.173 10.327) 13.958 2.994 ( 7.489 5.745 0.249) 9.442 3.204 ( 11.835 5.310 13.793) 18.934 4.029 ( -1.829 -3.459 -4.389) 5.880 4.102 ( 17.398 0.361 -17.314) 24.548 4.440 ( 6.281 3.162 0.160) 7.034 4.514 ( 6.455 -3.988 -4.965) 9.067 4.873 ( -11.534 -0.379 8.632) 14.412 5.207 ( 0.366 1.786 -7.941) 8.148 6.130 ( 0.998 1.352 0.387) 1.724 6.306 ( 1.706 2.545 5.216) 6.049 6.991 ( 1.274 -3.170 1.842) 3.881 7.530 ( 6.945 -5.443 5.977) 10.658 7.646 ( 2.728 -4.356 2.858) 5.881 7.883 ( -8.431 -5.343 -1.633) 10.114 8.005 ( 3.633 1.855 1.429) 4.322 8.375 ( -13.085 9.906 -3.229) 16.726 8.821 ( -8.325 -2.157 3.834) 9.416 9.061 ( 5.211 -0.930 -8.557) 10.062 9.228 ( 3.138 -3.762 -4.451) 6.619 9.536 ( -8.040 8.095 1.455) 11.502 9.818 ( 4.478 9.957 -9.615) 14.548 10.160 ( 0.302 2.596 8.054) 8.468 10.465 ( 8.863 -6.383 -5.602) 12.275 10.554 ( -7.314 -3.440 8.390) 11.650 11.002 ( 5.850 1.250 -1.233) 6.108 11.205 ( -12.404 7.412 3.527) 14.874 11.538 ( 7.512 -0.977 9.153) 11.881 12.138 ( 2.616 3.705 6.971) 8.316 12.578 ( -13.938 -10.167 -1.615) 17.327 12.871 ( -8.095 -3.179 2.793) 9.135 13.109 ( -7.102 -21.212 0.363) 22.372 13.519 ( 9.198 -12.641 -1.933) 15.752 13.795 ( -0.023 -0.992 3.158) 3.310 14.181 ( 3.640 -13.155 0.994) 13.686 14.388 ( -5.080 3.282 -4.779) 7.709 14.778 ( -4.037 -1.524 1.768) 4.663 15.470 ( -0.849 8.375 -2.068) 8.668 15.918 ( 3.381 14.131 -0.585) 14.541 16.491 ( -11.517 9.035 2.947) 14.932 16.867 ( -10.904 3.571 -2.788) 11.808 18.310 ( 1.766 -1.132 0.583) 2.177 18.401 ( 10.646 -1.295 3.173) 11.184 18.633 ( 11.844 7.626 -1.128) 14.132 19.372 ( 20.839 -1.614 -4.998) 21.490 ======================= Grid point 336 (173/205) ======================= q-point: ( 0.33 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 19.395 -1.290 -12.037) 22.863 2.370 ( 12.251 6.390 -16.398) 21.444 2.526 ( -11.961 -3.355 2.866) 12.749 2.769 ( -14.250 3.779 5.320) 15.673 3.184 ( 13.542 7.541 1.789) 15.603 3.588 ( 12.006 2.754 16.935) 20.941 3.894 ( -5.820 -2.558 -5.532) 8.427 4.287 ( 20.987 1.635 -12.411) 24.437 4.509 ( 0.464 0.039 -0.294) 0.551 4.530 ( 3.612 -0.815 -7.471) 8.338 4.784 ( -7.952 1.793 5.779) 9.992 5.111 ( -0.989 5.118 -9.743) 11.050 6.190 ( 2.545 1.631 4.316) 5.269 6.374 ( 0.777 2.809 3.512) 4.564 7.063 ( 1.463 -2.853 6.405) 7.163 7.588 ( -1.179 -5.365 -2.356) 5.977 7.613 ( -6.766 0.115 -3.580) 7.656 7.848 ( 4.571 -4.919 4.258) 7.951 8.005 ( -12.822 7.396 -2.746) 15.055 8.148 ( 1.270 4.728 -2.294) 5.406 8.882 ( 3.853 3.733 7.618) 9.318 9.019 ( 4.971 -2.796 -10.283) 11.759 9.317 ( 1.803 -6.196 2.824) 7.044 9.454 ( 4.753 10.611 -2.911) 11.985 9.767 ( -5.019 8.723 -1.519) 10.178 10.180 ( -7.312 -1.749 1.360) 7.641 10.433 ( -5.593 -6.401 6.023) 10.418 10.563 ( 3.122 -5.003 -0.892) 5.964 11.109 ( 8.600 -1.365 0.083) 8.708 11.163 ( -4.177 4.523 8.978) 10.886 11.722 ( 3.393 -10.207 8.242) 13.551 12.154 ( -6.233 3.891 3.102) 7.976 12.363 ( -8.566 -1.049 -1.292) 8.726 12.695 ( -11.001 0.165 -6.741) 12.903 13.123 ( 4.476 -26.111 7.234) 27.462 13.617 ( 4.955 -16.549 -4.599) 17.876 13.826 ( 1.848 -1.095 3.337) 3.969 14.201 ( 0.239 -8.633 -0.405) 8.646 14.336 ( 0.985 4.913 -1.101) 5.131 14.676 ( -8.848 2.855 -0.129) 9.298 15.482 ( 3.221 5.226 -0.150) 6.141 15.930 ( 0.115 14.561 -3.432) 14.961 16.349 ( -8.026 6.138 2.431) 10.392 16.607 ( -13.909 2.407 -3.301) 14.497 18.377 ( 3.507 -0.036 2.667) 4.406 18.577 ( 8.617 -2.724 -4.645) 10.161 18.910 ( 12.544 6.096 13.893) 19.686 19.628 ( 17.058 -2.620 -9.090) 19.506 ======================= Grid point 337 (174/205) ======================= q-point: ( 0.44 0.12 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( -7.977 -0.405 1.726) 8.172 2.353 ( 6.510 0.642 -8.521) 10.742 2.423 ( 4.138 -2.929 -3.841) 6.361 2.571 ( -6.527 0.882 -4.132) 7.775 3.457 ( 16.093 6.012 0.225) 17.181 3.658 ( -12.541 1.015 1.335) 12.653 3.985 ( 8.368 1.155 14.199) 16.522 4.396 ( -11.223 -4.147 0.295) 11.968 4.489 ( -1.483 1.883 -0.136) 2.401 4.557 ( 16.718 3.200 -9.453) 19.471 4.731 ( -0.409 4.011 -0.588) 4.075 4.975 ( -2.502 7.807 -11.201) 13.881 6.278 ( 1.394 1.793 5.495) 5.946 6.399 ( 0.071 2.775 -0.108) 2.778 7.153 ( -0.192 -2.753 9.037) 9.449 7.438 ( -4.071 -0.390 -7.048) 8.149 7.582 ( 1.852 2.424 -0.788) 3.151 7.725 ( -10.628 8.540 -3.326) 14.034 7.996 ( 4.146 -4.513 4.712) 7.731 8.172 ( 1.916 -3.086 -3.845) 5.290 8.930 ( -4.334 6.075 3.843) 8.394 9.058 ( 9.223 2.125 -10.109) 13.848 9.390 ( -3.543 -3.634 15.219) 16.043 9.614 ( 16.503 5.328 -9.966) 20.001 9.650 ( -4.517 5.783 2.890) 7.886 9.927 ( -14.728 -0.957 -5.370) 15.706 10.516 ( 1.546 -5.134 12.643) 13.732 10.663 ( 5.823 -2.413 2.258) 6.696 11.125 ( -8.812 -3.530 5.509) 10.976 11.231 ( 7.391 -6.505 -7.355) 12.289 11.854 ( 4.953 -9.690 7.942) 13.473 12.104 ( -1.688 1.638 3.586) 4.288 12.231 ( -5.454 8.131 -2.278) 10.053 12.418 ( -9.558 -2.702 -9.892) 14.018 13.301 ( 3.343 -28.412 10.378) 30.432 13.598 ( 1.004 -19.852 -7.573) 21.271 13.977 ( 9.766 0.496 5.574) 11.256 14.211 ( 0.785 -2.974 -1.324) 3.349 14.339 ( -1.497 1.767 1.222) 2.618 14.485 ( -9.659 4.195 -3.663) 11.150 15.564 ( 2.408 8.763 5.596) 10.672 15.842 ( -3.177 14.462 -7.816) 16.743 16.286 ( -1.628 2.796 2.281) 3.959 16.394 ( -6.481 1.756 -2.524) 7.174 18.457 ( 1.078 0.096 4.435) 4.565 18.616 ( 3.748 -1.201 -7.380) 8.364 19.248 ( 5.231 1.962 19.127) 19.926 19.745 ( 10.343 -2.956 -15.026) 18.480 ======================= Grid point 338 (175/205) ======================= q-point: (-0.44 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.106 ( -17.865 -0.211 12.452) 21.777 2.205 ( -16.055 2.556 6.105) 17.366 2.543 ( 10.384 -3.504 -9.724) 14.652 2.594 ( 15.548 -3.077 -6.704) 17.210 3.422 ( -16.623 6.304 2.912) 18.015 3.708 ( 14.060 3.040 -2.668) 14.630 4.132 ( -19.832 -3.473 1.408) 20.183 4.214 ( 0.288 -0.139 14.775) 14.778 4.353 ( -14.506 6.773 3.606) 16.410 4.697 ( 6.357 3.703 -14.544) 16.299 4.794 ( 6.484 1.881 5.267) 8.563 4.852 ( 3.976 5.409 -8.397) 10.751 6.339 ( -0.703 1.570 4.093) 4.440 6.380 ( 0.372 2.637 -2.873) 3.918 7.237 ( -2.311 -3.761 9.575) 10.543 7.337 ( 1.146 0.236 -5.801) 5.917 7.571 ( -3.828 5.930 -0.219) 7.062 7.682 ( 8.291 7.291 1.103) 11.096 8.067 ( -2.368 -3.198 1.988) 4.448 8.137 ( 1.854 -6.590 -5.112) 8.544 8.863 ( -7.979 3.380 6.344) 10.740 9.113 ( 8.674 9.665 -11.591) 17.407 9.345 ( -16.099 3.014 15.985) 22.886 9.556 ( -12.474 -1.706 -3.587) 13.091 9.806 ( 14.153 -0.462 1.045) 14.199 9.883 ( 19.113 1.197 -11.923) 22.559 10.586 ( -9.227 -4.380 7.179) 12.485 10.741 ( 3.383 -2.117 -3.827) 5.529 11.035 ( -7.181 -8.547 7.991) 13.729 11.270 ( 9.503 -5.748 -8.144) 13.773 11.991 ( -5.151 -2.085 -1.781) 5.835 12.127 ( 11.918 2.870 2.185) 12.451 12.205 ( -2.241 -1.388 0.699) 2.727 12.277 ( 5.821 0.604 0.028) 5.852 13.421 ( -1.308 -24.170 10.183) 26.260 13.497 ( -3.351 -25.305 -9.388) 27.197 14.080 ( -11.716 0.927 -4.606) 12.623 14.166 ( 2.914 -1.623 2.866) 4.398 14.323 ( -1.396 1.851 3.578) 4.264 14.447 ( 9.240 2.464 -0.595) 9.581 15.575 ( -11.145 12.198 6.862) 17.891 15.792 ( 8.159 14.145 -4.909) 17.052 16.335 ( 2.226 1.321 -2.613) 3.678 16.347 ( 6.146 2.031 2.184) 6.831 18.494 ( -2.607 0.005 5.278) 5.887 18.565 ( -1.079 -0.634 -6.896) 7.009 19.435 ( -4.984 -0.319 16.482) 17.222 19.651 ( -0.046 -1.674 -21.718) 21.782 ======================= Grid point 339 (176/205) ======================= q-point: (-0.33 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( -20.553 1.444 12.744) 24.226 2.043 ( -16.025 3.830 15.750) 22.793 2.650 ( 11.699 -5.756 -8.181) 15.393 2.801 ( 12.741 -0.573 -0.237) 12.756 3.173 ( -15.591 10.716 3.687) 19.275 3.768 ( -23.764 -1.822 1.105) 23.859 3.874 ( 7.925 -0.060 -2.592) 8.338 4.073 ( -20.673 11.262 4.605) 23.988 4.313 ( -5.641 -1.217 13.205) 14.411 4.598 ( -0.551 3.434 -8.717) 9.385 4.934 ( 12.347 -2.301 -8.569) 15.204 4.948 ( 3.936 2.271 7.113) 8.441 6.293 ( -2.235 0.978 -5.000) 5.563 6.396 ( 0.658 3.016 1.042) 3.258 7.192 ( -3.587 -4.225 -4.115) 6.903 7.427 ( 3.172 -1.705 9.809) 10.449 7.561 ( 2.107 1.175 1.515) 2.849 7.909 ( 13.828 10.722 5.932) 18.476 7.954 ( -5.261 -6.528 -5.547) 10.053 8.139 ( -1.038 -0.200 -0.685) 1.259 8.824 ( -4.617 -3.190 8.238) 9.968 9.045 ( -4.316 14.574 -10.312) 18.368 9.251 ( -10.723 8.681 12.262) 18.458 9.414 ( 0.526 -2.932 -3.103) 4.301 9.942 ( 7.157 -2.041 -14.172) 16.007 10.123 ( 11.960 -6.353 2.777) 13.825 10.455 ( -7.226 -6.376 1.407) 9.739 10.700 ( 3.046 -2.095 -8.693) 9.446 11.022 ( -4.978 -5.171 6.842) 9.916 11.340 ( 4.347 7.284 -7.145) 11.090 11.892 ( 0.017 -10.081 -8.666) 13.294 12.191 ( 7.982 0.577 -0.364) 8.011 12.367 ( 8.737 2.308 -1.797) 9.214 12.525 ( 14.178 -0.953 10.386) 17.601 13.274 ( -9.618 -25.061 -8.377) 28.120 13.487 ( -3.233 -21.019 8.775) 23.005 13.881 ( -5.188 1.766 -2.062) 5.855 14.175 ( -2.037 -2.966 1.762) 4.007 14.326 ( -0.945 0.436 0.219) 1.063 14.650 ( 9.969 0.074 2.319) 10.235 15.439 ( -9.794 9.522 4.940) 14.526 15.904 ( 6.315 18.084 -1.069) 19.185 16.402 ( 8.605 3.479 -2.937) 9.735 16.543 ( 13.157 1.631 3.189) 13.636 18.451 ( -4.735 -0.392 -5.063) 6.943 18.474 ( -5.810 -0.469 4.967) 7.658 19.287 ( -13.722 1.173 -22.266) 26.181 19.432 ( -12.200 -0.054 9.331) 15.359 ======================= Grid point 340 (177/205) ======================= q-point: (-0.22 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -17.876 3.924 13.964) 23.020 1.941 ( -16.963 10.233 18.292) 26.963 2.744 ( 7.388 -3.805 -5.647) 10.048 2.970 ( -4.059 6.266 5.480) 9.261 3.030 ( 5.023 4.593 -2.347) 7.199 3.371 ( -21.419 -0.169 -1.203) 21.454 3.732 ( -22.730 10.263 11.842) 27.608 4.006 ( 5.765 -0.579 -0.864) 5.858 4.320 ( -8.560 -2.740 13.152) 15.929 4.516 ( -0.494 1.908 -6.710) 6.994 5.039 ( 7.414 -3.974 -3.672) 9.178 5.088 ( 6.759 0.139 1.194) 6.865 6.197 ( -1.752 1.135 -5.857) 6.218 6.393 ( -0.220 2.463 -2.897) 3.809 7.077 ( -3.408 -4.072 -5.683) 7.777 7.508 ( -4.146 -3.709 5.878) 8.092 7.663 ( 1.491 -7.757 3.766) 8.751 7.880 ( 5.439 -3.544 -1.807) 6.739 8.053 ( -4.240 2.301 -3.224) 5.803 8.265 ( 15.967 13.781 7.998) 22.557 8.866 ( -2.108 0.041 8.561) 8.817 8.876 ( -2.645 3.070 -3.365) 5.267 9.178 ( -7.266 2.969 3.600) 8.636 9.484 ( 4.828 6.824 5.673) 10.102 9.814 ( -3.658 -3.534 -11.375) 12.461 10.270 ( 1.972 -6.944 0.578) 7.241 10.361 ( -4.958 0.397 -0.417) 4.991 10.751 ( 11.408 -2.891 -8.718) 14.646 10.985 ( -4.358 -2.556 0.999) 5.150 11.311 ( 3.758 11.512 -6.536) 13.761 11.742 ( -5.640 -1.159 -11.242) 12.631 12.289 ( -1.003 0.473 -8.684) 8.755 12.528 ( 14.073 -11.098 3.771) 18.315 12.850 ( 13.925 0.399 4.642) 14.684 13.135 ( 2.196 -22.022 -1.956) 22.218 13.459 ( -8.518 -16.392 4.626) 19.043 13.847 ( 0.898 -0.351 -1.770) 2.015 14.178 ( -1.865 -17.215 2.448) 17.488 14.306 ( 0.042 7.201 2.393) 7.588 14.789 ( 4.147 -2.998 0.751) 5.172 15.372 ( -4.750 9.812 7.510) 13.238 15.963 ( 3.781 19.705 -4.630) 20.591 16.555 ( 12.569 7.809 -3.336) 15.169 16.810 ( 12.163 2.330 3.076) 12.760 18.332 ( -3.963 -1.007 -1.821) 4.476 18.396 ( -7.571 -1.381 2.453) 8.078 18.782 ( -18.578 7.333 -15.870) 25.510 19.258 ( -17.512 0.022 6.612) 18.719 ======================= Grid point 341 (178/205) ======================= q-point: (-0.11 0.12 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -7.599 9.855 12.932) 17.947 1.829 ( -15.138 16.553 14.193) 26.545 2.806 ( 4.232 -0.480 -0.869) 4.346 2.901 ( -4.339 5.131 -0.493) 6.737 3.006 ( -7.958 4.240 -5.573) 10.600 3.153 ( 0.980 -0.616 -5.239) 5.365 3.571 ( -16.682 9.354 26.047) 32.314 4.101 ( 5.328 -2.150 0.593) 5.776 4.304 ( -7.374 -4.367 11.055) 13.988 4.429 ( -0.417 0.573 -9.281) 9.308 5.116 ( 2.928 -3.811 0.681) 4.855 5.182 ( 6.654 -1.380 -5.005) 8.440 6.141 ( 0.571 1.265 -2.606) 2.953 6.332 ( -1.052 1.775 -6.298) 6.627 6.990 ( -1.052 -4.572 -2.295) 5.223 7.422 ( -7.986 -3.868 -2.581) 9.241 7.644 ( -1.160 -6.052 -1.533) 6.350 7.877 ( -6.289 1.373 -4.501) 7.854 8.113 ( 12.764 -3.319 2.172) 13.367 8.501 ( 2.528 4.823 1.646) 5.689 8.884 ( -2.954 -5.453 8.407) 10.446 9.007 ( 10.507 3.106 7.785) 13.441 9.165 ( 3.052 -0.649 6.882) 7.556 9.622 ( 1.222 11.785 7.578) 14.064 9.653 ( -6.658 -1.224 -1.411) 6.915 10.212 ( -4.290 -4.173 -6.825) 9.078 10.303 ( 1.086 9.367 -1.652) 9.573 10.785 ( 2.367 -0.062 -13.293) 13.502 10.941 ( 2.635 2.206 -0.634) 3.494 11.319 ( -5.053 12.547 -3.305) 13.924 11.572 ( 4.999 -0.181 -7.615) 9.111 12.077 ( -11.197 0.892 -6.521) 12.987 12.801 ( 12.278 -15.046 1.979) 19.520 13.094 ( 11.817 -7.635 -2.045) 14.217 13.214 ( 1.937 -21.033 0.167) 21.123 13.346 ( -5.045 -11.989 3.906) 13.581 13.826 ( 0.974 2.889 -3.540) 4.672 14.047 ( -12.792 -13.066 0.058) 18.286 14.460 ( 8.677 -3.234 6.393) 11.252 14.805 ( -2.099 -6.147 -0.737) 6.537 15.441 ( 1.572 12.130 10.445) 16.084 15.931 ( 0.999 19.910 -9.713) 22.175 16.742 ( 13.189 9.997 -4.050) 17.039 16.945 ( 0.002 4.418 1.398) 4.634 18.237 ( -5.889 -1.527 -0.322) 6.092 18.343 ( -0.878 0.038 -0.949) 1.293 18.485 ( -1.631 7.574 -0.738) 7.783 18.990 ( -19.039 0.951 2.945) 19.289 ======================= Grid point 342 (179/205) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 7.450 16.775 9.519) 20.676 2.119 ( -6.489 18.788 5.495) 20.623 2.778 ( -1.293 -4.617 11.065) 12.059 3.002 ( -1.960 7.624 -1.492) 8.013 3.022 ( -1.328 0.167 -10.101) 10.189 3.068 ( 1.636 8.036 -6.481) 10.453 3.844 ( -0.328 2.977 18.935) 19.171 4.051 ( -3.566 -9.637 1.008) 10.324 4.231 ( 2.593 -0.707 4.172) 4.963 4.366 ( 3.416 4.671 -12.216) 13.518 5.073 ( -5.176 -1.838 4.554) 7.135 5.173 ( 6.976 -3.118 -6.122) 9.791 6.203 ( 0.887 3.015 2.320) 3.906 6.293 ( -0.206 3.134 -6.407) 7.135 6.891 ( 2.965 -7.031 5.583) 9.455 7.080 ( -6.708 -7.159 -12.652) 16.010 7.671 ( 5.305 1.182 4.544) 7.084 7.767 ( -3.482 1.721 -5.520) 6.750 8.263 ( 9.294 -3.723 2.148) 10.240 8.309 ( -11.454 -4.060 -2.998) 12.517 8.814 ( -3.553 -3.698 5.775) 7.723 8.928 ( 4.490 -8.795 -6.331) 11.730 9.507 ( 0.470 -1.731 15.475) 15.579 9.665 ( 0.291 -0.486 -0.029) 0.568 9.877 ( -4.404 12.726 15.855) 20.802 10.188 ( 3.092 9.086 -15.578) 18.298 10.560 ( -3.097 7.766 8.577) 11.978 10.805 ( 6.901 5.794 -14.371) 16.962 11.171 ( 8.871 9.992 4.209) 14.009 11.312 ( -12.320 13.396 -9.634) 20.593 11.775 ( 11.676 1.947 5.382) 13.003 11.890 ( -9.824 4.069 -6.011) 12.215 12.536 ( -4.976 -20.445 7.594) 22.370 12.659 ( -1.546 -16.703 -5.164) 17.551 12.930 ( -4.193 -21.374 7.273) 22.964 13.048 ( 5.963 -17.478 -4.771) 19.074 13.731 ( -1.984 -3.204 4.391) 5.787 13.833 ( 1.787 -3.440 -6.206) 7.318 14.584 ( 2.646 -0.864 3.800) 4.710 14.646 ( -2.509 -2.171 -2.484) 4.145 15.864 ( 1.114 11.844 10.776) 16.051 16.075 ( -0.804 7.708 -11.320) 13.718 17.026 ( -6.894 9.269 4.870) 12.537 17.124 ( 5.588 10.300 -5.138) 12.795 18.259 ( 3.832 1.592 1.875) 4.553 18.302 ( -3.235 2.428 -2.610) 4.813 18.704 ( 4.213 2.597 2.792) 5.683 18.780 ( -1.602 3.263 -4.875) 6.081 ======================= Grid point 343 (180/205) ======================= q-point: ( 0.11 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.052 ( 0.188 15.481 -3.424) 15.856 2.345 ( 14.071 15.729 0.790) 21.119 2.837 ( -4.985 -2.068 -3.323) 6.338 2.897 ( -2.888 -2.136 7.237) 8.079 3.003 ( 3.235 8.225 1.653) 8.992 3.134 ( 7.951 9.142 0.751) 12.139 3.974 ( -0.862 -7.674 -3.622) 8.529 4.037 ( 3.243 -0.099 6.239) 7.032 4.293 ( 5.538 -4.801 -3.397) 8.079 4.408 ( 9.842 5.740 -4.196) 12.142 4.985 ( -7.417 0.282 2.612) 7.869 5.233 ( 6.183 -1.018 -6.022) 8.691 6.194 ( -1.715 3.126 -1.701) 3.950 6.292 ( 2.937 3.679 1.156) 4.848 6.908 ( -1.234 -6.010 -5.641) 8.334 7.105 ( 9.296 -8.973 12.185) 17.759 7.653 ( -1.958 3.146 -5.321) 6.484 7.793 ( 3.247 -2.543 1.916) 4.548 8.095 ( -8.612 0.307 0.455) 8.629 8.451 ( 5.458 -3.119 4.159) 7.538 8.815 ( -2.101 -6.694 3.398) 7.795 8.945 ( 5.036 -4.816 -4.648) 8.376 9.424 ( -13.127 1.798 -2.191) 13.430 9.771 ( 5.923 -1.138 -0.856) 6.092 9.989 ( -1.736 8.646 14.909) 17.322 10.090 ( 4.166 11.317 -11.550) 16.698 10.548 ( -8.154 5.183 7.456) 12.204 10.678 ( -3.852 8.337 -12.556) 15.557 11.056 ( -4.114 3.907 -4.478) 7.228 11.421 ( 4.110 8.441 8.375) 12.581 11.557 ( -15.821 2.768 -3.690) 16.479 12.038 ( 9.703 4.048 2.678) 10.850 12.535 ( -5.411 -21.873 11.367) 25.237 12.557 ( -6.004 -11.553 -3.110) 13.386 12.917 ( -4.302 -16.280 2.539) 17.029 13.103 ( 7.499 -18.459 -4.938) 20.527 13.736 ( -2.078 -2.825 2.584) 4.356 13.859 ( 5.780 -6.777 -1.826) 9.092 14.556 ( -3.946 0.614 -2.676) 4.807 14.662 ( 1.883 -3.477 2.362) 4.606 15.849 ( -7.262 12.177 -1.855) 14.299 16.052 ( 3.654 6.980 1.460) 8.013 16.903 ( -11.971 12.115 4.700) 17.668 17.125 ( -2.175 7.131 -3.141) 8.090 18.251 ( 1.314 1.470 -1.495) 2.474 18.325 ( 0.719 0.444 0.893) 1.230 18.657 ( 4.781 7.289 -2.551) 9.083 19.025 ( 19.277 -0.964 -1.475) 19.357 ======================= Grid point 344 (181/205) ======================= q-point: ( 0.22 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 8.296 8.829 -8.869) 15.015 2.508 ( 12.026 11.096 -13.806) 21.409 2.660 ( -8.123 -2.586 -5.256) 10.015 2.932 ( -7.222 0.811 10.423) 12.706 3.140 ( 7.118 7.547 5.858) 11.914 3.349 ( 12.038 8.539 8.512) 17.038 3.898 ( -0.681 -8.798 -7.380) 11.504 4.157 ( 8.808 3.722 -0.354) 9.568 4.377 ( 6.274 -7.441 -2.856) 10.143 4.519 ( 6.745 2.902 -3.409) 8.096 4.917 ( -2.419 5.140 0.747) 5.730 5.252 ( 4.865 2.225 -8.556) 10.090 6.179 ( 1.310 3.548 0.541) 3.821 6.371 ( 2.484 3.398 4.356) 6.058 6.904 ( 2.173 -4.718 1.733) 5.476 7.363 ( 5.553 -10.514 8.318) 14.511 7.618 ( 3.660 1.314 -4.457) 5.915 7.793 ( -2.826 -3.256 0.669) 4.363 8.045 ( -0.415 3.421 2.581) 4.305 8.554 ( -1.053 6.868 4.772) 8.430 8.763 ( -3.321 -1.631 3.485) 5.083 9.045 ( 7.228 -8.365 -0.105) 11.055 9.150 ( -9.884 4.246 -8.363) 13.626 9.760 ( -1.184 9.977 -5.003) 11.224 10.074 ( 5.968 -2.168 -4.983) 8.071 10.100 ( -0.690 9.397 -0.309) 9.428 10.448 ( -4.048 4.031 -2.678) 6.310 10.531 ( -9.608 1.420 5.488) 11.156 11.010 ( 2.547 -0.512 -4.207) 4.944 11.257 ( -11.509 -4.317 5.386) 13.420 11.544 ( -7.889 3.713 12.273) 15.055 12.194 ( 6.817 -2.261 2.380) 7.567 12.368 ( -10.474 -10.521 -3.234) 15.194 12.589 ( -2.719 -15.474 6.949) 17.179 12.822 ( -6.003 -9.470 -1.613) 11.328 13.201 ( 7.841 -17.565 -4.362) 19.724 13.728 ( -1.300 -3.551 2.935) 4.787 13.960 ( 5.822 -6.632 1.046) 8.887 14.466 ( -3.095 2.735 -2.444) 4.799 14.692 ( -0.519 -4.548 0.597) 4.617 15.723 ( -3.579 12.729 -2.352) 13.430 16.111 ( 0.295 4.740 2.615) 5.421 16.727 ( -13.199 12.290 3.116) 18.301 16.963 ( -12.214 5.074 -3.820) 13.766 18.298 ( 3.732 0.238 0.443) 3.766 18.388 ( 7.334 -0.275 0.685) 7.371 18.806 ( 11.454 8.846 1.446) 14.545 19.324 ( 18.220 -2.989 -3.637) 18.818 ======================= Grid point 345 (182/205) ======================= q-point: ( 0.33 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 12.774 1.478 -10.186) 16.405 2.457 ( -10.989 -1.733 -0.963) 11.167 2.507 ( 7.662 5.059 -18.559) 20.706 2.814 ( -12.512 0.212 -0.048) 12.514 3.349 ( 10.560 7.324 5.118) 13.833 3.662 ( 7.704 4.141 12.598) 15.337 3.824 ( -0.391 -3.756 -0.551) 3.817 4.344 ( 6.112 -0.353 5.579) 8.283 4.418 ( 5.974 -1.974 -5.597) 8.421 4.574 ( 4.218 2.708 -3.251) 5.975 4.895 ( 1.521 8.166 -4.849) 9.618 5.230 ( 4.541 5.584 -11.869) 13.881 6.244 ( 2.863 3.732 4.174) 6.289 6.449 ( 1.608 3.882 3.496) 5.466 6.979 ( 1.251 -4.677 5.765) 7.528 7.417 ( -1.836 -10.275 -1.822) 10.596 7.651 ( 4.643 2.934 -4.187) 6.906 7.810 ( 3.318 1.320 3.538) 5.027 8.089 ( 1.169 3.782 2.167) 4.512 8.362 ( -14.519 13.013 -3.910) 19.885 8.910 ( 6.239 0.779 -1.472) 6.458 9.021 ( -1.291 -1.107 8.054) 8.231 9.138 ( 3.257 -6.863 3.798) 8.493 9.712 ( 2.521 11.969 -4.853) 13.159 9.980 ( -8.454 3.460 -3.697) 9.854 10.115 ( 8.135 2.748 -11.561) 14.401 10.336 ( -9.993 -0.899 3.418) 10.599 10.489 ( 0.075 -1.964 4.916) 5.294 11.047 ( 6.093 -4.818 -5.240) 9.370 11.254 ( -6.877 2.702 14.615) 16.376 11.468 ( -8.790 -11.264 9.518) 17.168 12.158 ( -8.731 -5.241 -0.689) 10.206 12.351 ( 6.014 -7.803 2.638) 10.198 12.499 ( -10.147 -17.784 -2.139) 20.587 12.737 ( -3.011 -3.723 0.042) 4.788 13.234 ( 2.677 -18.963 -7.317) 20.501 13.789 ( 4.186 -1.226 5.301) 6.864 14.067 ( 4.766 -4.874 2.119) 7.139 14.405 ( -2.195 2.079 -1.364) 3.317 14.645 ( -4.194 -3.185 -2.176) 5.698 15.702 ( 1.864 12.339 1.462) 12.564 16.123 ( -0.428 3.993 0.301) 4.027 16.526 ( -12.152 9.996 0.502) 15.743 16.681 ( -14.111 4.443 -4.354) 15.421 18.382 ( 4.039 0.674 2.324) 4.709 18.527 ( 7.692 -2.119 -1.906) 8.203 19.052 ( 10.241 7.234 9.365) 15.649 19.554 ( 14.578 -4.383 -6.876) 16.704 ======================= Grid point 346 (183/205) ======================= q-point: ( 0.44 0.25 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.259 ( -13.333 -2.645 5.559) 14.685 2.290 ( 13.987 -2.966 -8.735) 16.755 2.448 ( 3.995 2.572 -12.704) 13.563 2.557 ( -11.371 -1.761 -6.341) 13.138 3.580 ( 11.855 4.979 1.621) 12.960 3.679 ( -8.556 0.967 5.078) 9.996 4.010 ( 7.712 1.264 10.314) 12.940 4.294 ( -10.551 -5.346 2.855) 12.168 4.554 ( 0.622 4.435 2.519) 5.138 4.650 ( 11.017 5.455 -1.482) 12.382 4.865 ( 1.879 8.330 -6.180) 10.541 5.151 ( 1.452 8.061 -14.556) 16.702 6.338 ( 1.564 4.137 6.020) 7.471 6.482 ( 0.074 4.947 -0.311) 4.957 7.051 ( -1.378 -6.442 8.945) 11.109 7.334 ( -0.771 -8.417 -7.748) 11.466 7.722 ( 6.643 9.206 0.075) 11.353 7.889 ( -1.103 6.203 -0.793) 6.350 8.053 ( -2.162 10.277 -0.131) 10.503 8.176 ( -3.652 5.041 -2.361) 6.658 8.972 ( 3.970 -7.892 -1.932) 9.043 9.011 ( -3.172 -0.222 1.780) 3.644 9.307 ( 0.798 -4.471 14.908) 15.585 9.701 ( 0.972 2.165 -8.431) 8.759 9.831 ( -5.855 9.621 1.935) 11.427 10.053 ( 1.274 13.850 -12.302) 18.568 10.383 ( 8.498 -6.259 9.114) 13.945 10.585 ( 4.777 -5.021 2.724) 7.446 11.052 ( -13.076 -3.467 1.301) 13.590 11.071 ( -3.887 -7.336 -5.063) 9.724 11.660 ( 11.476 -9.158 14.482) 20.623 12.070 ( -6.764 -8.299 5.480) 12.027 12.284 ( -4.917 -10.747 -8.593) 14.612 12.366 ( -4.272 4.052 -4.772) 7.579 12.771 ( 3.030 -18.388 8.726) 20.577 13.151 ( -1.857 -21.305 -10.326) 23.748 13.960 ( 7.448 -1.077 6.639) 10.035 14.150 ( 2.413 -2.832 0.143) 3.723 14.355 ( -3.341 0.190 1.621) 3.718 14.518 ( -5.096 -0.099 -5.182) 7.269 15.805 ( 4.445 12.111 6.478) 14.436 16.087 ( -2.141 7.851 -5.216) 9.666 16.362 ( -4.825 4.822 0.384) 6.832 16.453 ( -7.604 3.722 -2.760) 8.905 18.463 ( 1.373 0.611 3.790) 4.077 18.586 ( 3.178 -1.652 -4.594) 5.825 19.301 ( 4.098 3.084 13.477) 14.420 19.664 ( 8.678 -4.753 -11.499) 15.170 ======================= Grid point 347 (184/205) ======================= q-point: (-0.44 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.097 ( -14.954 -0.832 10.517) 18.301 2.261 ( -14.136 2.864 3.784) 14.911 2.450 ( 11.615 -6.248 -13.158) 18.630 2.514 ( 11.466 -3.468 -1.106) 12.030 3.558 ( -10.619 6.074 3.656) 12.768 3.766 ( 10.105 1.904 -2.830) 10.665 4.085 ( -16.023 -1.007 3.091) 16.349 4.200 ( 0.977 -1.332 10.029) 10.164 4.507 ( -9.659 8.214 5.021) 13.638 4.776 ( 9.197 3.684 -14.763) 17.779 4.869 ( -2.821 5.652 10.087) 11.902 5.006 ( 0.227 7.812 -12.134) 14.433 6.396 ( -2.616 4.068 4.297) 6.470 6.464 ( 1.402 5.335 -2.484) 6.050 7.107 ( -4.613 -7.812 10.078) 13.560 7.266 ( 3.646 -7.214 -8.006) 11.377 7.745 ( -7.250 10.027 -2.408) 12.605 7.887 ( 10.030 11.233 -0.194) 15.061 8.078 ( -3.770 5.179 -3.475) 7.288 8.124 ( 4.727 6.274 2.703) 8.308 8.853 ( -12.196 -3.899 5.687) 14.010 9.141 ( 13.230 -6.576 -6.861) 16.290 9.422 ( -6.286 2.002 18.168) 19.329 9.531 ( -8.680 -1.890 -5.890) 10.659 9.900 ( 8.893 9.508 1.381) 13.092 9.998 ( 6.767 11.604 -13.430) 18.995 10.467 ( -14.458 -6.459 1.750) 15.932 10.659 ( 5.523 -6.207 -4.880) 9.636 10.855 ( -6.119 -7.279 11.184) 14.680 11.168 ( 19.287 -3.119 -5.700) 20.353 11.881 ( -11.999 -10.604 -5.847) 17.047 12.035 ( 13.855 -10.086 13.298) 21.692 12.217 ( -3.525 0.281 -6.222) 7.157 12.297 ( 7.374 0.439 0.543) 7.407 12.920 ( -2.199 -22.874 6.747) 23.949 12.985 ( -1.641 -20.647 -6.294) 21.648 14.059 ( -6.791 -1.161 -1.394) 7.029 14.138 ( 3.001 -1.345 -0.830) 3.392 14.348 ( -3.237 0.530 4.804) 5.817 14.462 ( 5.813 -0.714 -1.632) 6.079 15.839 ( -10.863 12.032 4.830) 16.914 16.066 ( 10.165 10.329 -5.011) 15.333 16.377 ( 2.106 2.852 -0.944) 3.669 16.404 ( 6.273 3.312 2.258) 7.444 18.496 ( -2.473 0.274 4.332) 4.996 18.549 ( -1.586 -0.881 -4.955) 5.277 19.430 ( -4.555 0.011 11.591) 12.455 19.603 ( 0.667 -2.903 -16.275) 16.545 ======================= Grid point 348 (185/205) ======================= q-point: (-0.33 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.945 ( -14.607 2.774 10.483) 18.192 2.143 ( -11.671 5.782 16.216) 20.799 2.530 ( 10.153 -6.200 -7.253) 13.933 2.743 ( 11.721 -4.977 4.780) 13.602 3.400 ( -9.830 10.089 0.257) 14.088 3.791 ( -20.931 3.994 2.127) 21.415 3.862 ( 5.801 -1.395 -5.030) 7.803 4.266 ( -6.566 -2.700 11.388) 13.420 4.327 ( -15.653 12.041 3.222) 20.010 4.683 ( 0.167 4.079 -13.830) 14.420 4.904 ( 3.371 0.397 -1.475) 3.701 5.014 ( 0.593 3.315 6.710) 7.508 6.333 ( -3.540 3.046 -3.309) 5.724 6.481 ( 0.339 4.848 -0.170) 4.863 7.067 ( -4.837 -7.093 0.048) 8.585 7.327 ( 4.890 -7.945 3.165) 9.852 7.612 ( -6.229 4.052 -0.542) 7.450 7.903 ( -2.732 2.114 -6.209) 7.105 8.107 ( 3.387 6.780 0.549) 7.599 8.272 ( 11.267 13.161 5.102) 18.061 8.753 ( -5.788 -0.971 7.945) 9.877 9.213 ( 1.946 -11.744 -8.553) 14.659 9.340 ( -5.934 9.332 -11.089) 15.661 9.507 ( -3.018 10.679 16.744) 20.087 9.945 ( -8.768 -3.787 3.302) 10.106 10.002 ( 7.588 2.803 -8.964) 12.074 10.314 ( -0.530 -4.409 4.193) 6.108 10.674 ( 8.643 -1.578 -10.076) 13.369 10.915 ( -1.619 -4.676 8.236) 9.608 11.478 ( 13.779 5.132 -6.671) 16.146 11.655 ( 1.999 -11.638 -9.983) 15.463 12.162 ( 2.775 -4.616 -0.137) 5.388 12.365 ( 2.747 -4.319 3.626) 6.273 12.413 ( 10.452 -13.345 2.742) 17.172 12.778 ( -2.540 -16.641 -3.975) 17.297 13.065 ( -1.313 -17.237 9.607) 19.777 13.885 ( -6.918 0.266 -4.202) 8.098 14.116 ( -3.376 -2.032 -2.826) 4.849 14.364 ( 0.577 1.543 2.979) 3.404 14.597 ( 6.283 -3.693 2.587) 7.734 15.696 ( -7.977 12.835 2.458) 15.311 16.162 ( 5.566 5.678 -3.985) 8.894 16.527 ( 13.707 8.314 0.476) 16.039 16.597 ( 12.533 3.547 4.131) 13.665 18.442 ( -5.075 -0.330 -3.855) 6.382 18.465 ( -6.088 -0.342 3.670) 7.117 19.310 ( -11.296 1.128 -11.875) 16.428 19.432 ( -8.667 -0.118 1.105) 8.738 ======================= Grid point 349 (186/205) ======================= q-point: (-0.22 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -9.264 9.651 12.308) 18.178 2.150 ( -10.683 9.854 20.788) 25.365 2.629 ( 6.652 -6.902 -2.269) 9.851 2.981 ( 8.841 -3.621 5.659) 11.104 3.244 ( -6.291 12.038 -3.489) 14.024 3.439 ( -20.741 7.055 0.512) 21.914 3.845 ( -4.633 -1.936 -2.070) 5.432 4.104 ( -9.633 11.521 3.191) 15.353 4.240 ( -9.313 -4.952 10.131) 14.625 4.564 ( -1.086 2.329 -8.352) 8.738 4.961 ( 4.484 -2.428 -0.977) 5.192 5.096 ( 1.414 0.450 5.333) 5.536 6.237 ( -2.392 2.807 -4.612) 5.905 6.452 ( -1.350 2.763 -3.587) 4.725 6.972 ( -4.292 -5.235 -3.138) 7.462 7.415 ( -0.375 -7.385 1.754) 7.600 7.543 ( -2.652 -1.458 3.256) 4.445 7.833 ( 1.173 -1.434 -3.077) 3.592 8.095 ( -0.417 3.478 -2.766) 4.463 8.550 ( 9.914 10.639 5.013) 15.382 8.812 ( -0.599 3.619 5.253) 6.406 9.076 ( -3.819 8.400 -9.821) 13.476 9.097 ( -4.937 -10.017 -4.152) 11.914 9.632 ( -0.555 6.211 9.875) 11.678 9.845 ( -9.516 2.597 9.116) 13.432 10.085 ( 6.300 -4.090 2.706) 7.983 10.397 ( 5.108 2.819 1.228) 5.962 10.759 ( 12.229 1.452 -12.714) 17.700 10.953 ( 0.469 -0.007 2.736) 2.776 11.423 ( 3.807 -2.360 -10.585) 11.493 11.755 ( 7.262 4.319 -9.106) 12.422 12.249 ( -8.616 -9.959 -2.504) 13.404 12.300 ( 9.925 -8.559 2.920) 13.427 12.643 ( 8.126 -20.583 2.387) 22.257 12.799 ( 5.078 -6.429 -0.206) 8.195 13.088 ( -6.538 -16.751 7.434) 19.457 13.777 ( -2.290 -2.856 -1.837) 4.095 14.008 ( -4.531 -2.708 -3.899) 6.563 14.414 ( 1.857 3.431 2.920) 4.873 14.687 ( 2.018 -5.124 1.118) 5.619 15.646 ( -2.207 13.806 5.259) 14.938 16.198 ( 4.542 4.092 -5.935) 8.521 16.770 ( 14.276 10.781 -0.773) 17.906 16.884 ( 14.105 4.782 3.777) 15.364 18.318 ( -5.630 -0.187 -1.547) 5.842 18.375 ( -6.655 -0.757 1.614) 6.890 18.946 ( -13.928 7.880 -12.448) 20.274 19.259 ( -14.220 -0.041 2.570) 14.451 ======================= Grid point 350 (187/205) ======================= q-point: (-0.11 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 325 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( -0.283 15.366 12.116) 19.571 2.166 ( -10.472 15.391 16.510) 24.883 2.706 ( 1.411 -6.877 4.081) 8.120 3.099 ( -6.252 10.139 -2.118) 12.098 3.105 ( 3.103 -0.022 -7.131) 7.776 3.164 ( -7.886 7.466 -2.617) 11.171 3.743 ( -8.149 3.051 11.532) 14.446 4.071 ( -1.803 0.679 4.210) 4.630 4.190 ( -5.690 -5.103 7.353) 10.606 4.462 ( -0.919 2.520 -8.759) 9.160 5.035 ( 4.139 -3.156 0.831) 5.271 5.150 ( 1.261 -1.679 0.119) 2.103 6.182 ( 0.280 2.855 -1.831) 3.403 6.376 ( -1.748 2.154 -5.616) 6.264 6.879 ( -2.544 -5.197 -1.891) 6.087 7.325 ( -6.748 -7.038 -7.794) 12.483 7.563 ( 1.363 -0.413 3.628) 3.897 7.842 ( 0.810 -3.526 -2.818) 4.586 8.109 ( 5.272 2.450 -0.795) 5.867 8.544 ( -8.188 -0.200 -5.721) 9.991 8.792 ( -0.309 -1.837 4.347) 4.729 8.954 ( -2.506 -6.488 -4.376) 8.217 9.259 ( 10.510 5.194 10.857) 15.979 9.661 ( -4.110 2.146 7.364) 8.702 9.830 ( -7.586 5.606 15.014) 17.731 10.211 ( 7.197 5.292 -4.583) 10.040 10.498 ( 3.960 9.568 2.163) 10.579 10.788 ( 7.842 0.755 -12.060) 14.406 11.021 ( 6.617 4.911 -1.256) 8.335 11.510 ( 13.277 -3.160 -1.818) 13.769 11.634 ( -9.033 14.376 -10.208) 19.810 12.084 ( -8.024 -1.605 -2.064) 8.439 12.482 ( 4.887 -14.555 4.500) 15.999 12.720 ( 3.556 -18.880 -6.650) 20.330 12.898 ( 2.243 -18.057 4.355) 18.710 13.023 ( -4.357 -15.838 2.926) 16.685 13.741 ( -2.482 -5.380 1.581) 6.132 13.900 ( -2.295 -1.893 -5.296) 6.075 14.492 ( 3.242 2.484 3.657) 5.482 14.695 ( -0.948 -4.441 -0.842) 4.618 15.722 ( 2.271 13.376 8.628) 16.078 16.180 ( 1.650 5.438 -8.936) 10.589 16.973 ( 9.430 10.142 -0.633) 13.863 17.079 ( 5.562 7.916 -0.190) 9.676 18.230 ( -3.132 0.689 0.796) 3.304 18.335 ( 1.014 -0.582 0.051) 1.170 18.666 ( -6.686 9.405 -4.124) 12.255 19.013 ( -15.337 1.099 -0.299) 15.380 ======================= Grid point 351 (188/205) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( 2.724 10.433 13.589) 17.347 2.482 ( -3.472 15.435 1.931) 15.938 2.673 ( -0.090 -4.840 15.122) 15.878 2.948 ( -1.632 -5.543 -11.146) 12.555 3.221 ( -3.105 13.084 -1.282) 13.509 3.262 ( 3.390 9.442 -6.820) 12.131 3.721 ( 3.477 -11.505 7.063) 13.940 3.820 ( -4.070 -13.049 -1.287) 13.729 4.336 ( -0.914 7.816 5.951) 9.866 4.458 ( 3.562 2.895 -7.049) 8.411 5.055 ( -2.893 0.284 3.830) 4.808 5.117 ( 5.143 -2.234 -2.994) 6.357 6.283 ( 0.744 4.572 2.982) 5.509 6.364 ( 0.732 3.022 -4.292) 5.300 6.772 ( 1.049 -3.802 1.651) 4.276 6.919 ( -4.569 -8.061 -12.162) 15.290 7.701 ( 3.107 1.322 2.827) 4.404 7.773 ( 0.715 -1.423 -4.498) 4.772 8.231 ( 3.070 0.555 0.898) 3.246 8.271 ( -6.319 0.138 -3.145) 7.060 8.806 ( -5.493 3.042 2.476) 6.749 8.835 ( 3.864 0.284 -1.026) 4.008 9.396 ( 0.659 -7.908 11.976) 14.367 9.517 ( -3.080 -11.888 0.807) 12.307 10.164 ( -0.469 13.215 11.116) 17.275 10.340 ( 1.005 4.778 -7.326) 8.804 10.680 ( -1.843 4.253 5.338) 7.069 10.857 ( 3.535 -1.337 -11.765) 12.357 11.409 ( 13.892 12.859 8.341) 20.686 11.596 ( -14.988 12.782 -10.522) 22.333 11.834 ( 14.943 3.185 6.089) 16.447 11.950 ( -9.081 0.676 -4.852) 10.318 12.202 ( -11.389 -10.879 11.672) 19.603 12.397 ( 1.956 -9.223 -6.774) 11.609 12.518 ( -0.016 -15.831 6.120) 16.972 12.680 ( 3.883 -16.641 -8.804) 19.223 13.706 ( -0.656 0.476 2.092) 2.244 13.776 ( -0.450 -2.197 -5.304) 5.759 14.571 ( 0.665 -0.609 1.980) 2.176 14.601 ( -0.531 -2.186 -1.057) 2.486 16.055 ( 1.197 6.913 5.613) 8.985 16.165 ( -0.823 1.592 -5.839) 6.108 17.200 ( -4.160 7.012 5.311) 9.730 17.278 ( 2.125 4.151 -2.440) 5.263 18.299 ( 2.524 2.165 2.300) 4.043 18.339 ( -0.552 0.967 -1.500) 1.868 18.769 ( 2.043 3.401 -0.271) 3.977 18.830 ( -0.769 1.308 -5.997) 6.186 ======================= Grid point 352 (189/205) ======================= q-point: ( 0.11 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( -3.422 13.778 -4.292) 14.831 2.597 ( 7.842 8.275 4.519) 12.263 2.778 ( -3.294 -3.761 -11.150) 12.220 2.830 ( -0.628 -3.926 14.400) 14.939 3.197 ( 2.055 10.894 -0.629) 11.104 3.347 ( 8.982 11.819 0.683) 14.860 3.735 ( -0.137 -13.357 -5.366) 14.395 3.902 ( 6.714 -12.330 6.147) 15.326 4.338 ( -0.087 6.448 -0.965) 6.520 4.491 ( 5.325 1.196 -3.991) 6.761 5.036 ( 0.336 4.525 -0.111) 4.539 5.205 ( 7.846 -2.068 -4.343) 9.203 6.281 ( -1.262 5.205 -1.502) 5.563 6.370 ( 2.814 3.310 -0.486) 4.372 6.792 ( 0.492 -4.444 -3.468) 5.659 6.918 ( 7.000 -8.770 9.705) 14.836 7.695 ( -1.399 0.617 -5.039) 5.266 7.744 ( -0.630 -2.239 -0.237) 2.338 8.169 ( -1.393 6.354 0.914) 6.569 8.407 ( 9.848 -2.478 3.887) 10.873 8.762 ( -2.242 2.978 3.481) 5.100 8.900 ( 3.426 1.349 -0.828) 3.774 9.380 ( -6.534 -5.903 0.256) 8.810 9.582 ( 4.992 -13.050 2.825) 14.255 10.237 ( -2.065 10.380 3.863) 11.266 10.280 ( 1.462 6.581 -4.544) 8.130 10.636 ( -8.556 4.482 3.925) 10.426 10.816 ( 2.064 1.841 -7.450) 7.947 11.156 ( -18.526 8.231 -7.062) 21.467 11.493 ( -20.583 -0.221 -1.331) 20.628 11.710 ( -3.139 9.466 7.075) 12.227 12.017 ( -6.281 -8.553 0.933) 10.653 12.277 ( 6.530 -0.463 10.679) 12.526 12.385 ( 2.743 -4.321 -4.780) 7.003 12.570 ( -0.361 -16.368 0.091) 16.372 12.722 ( 10.917 -16.456 -3.347) 20.029 13.703 ( -1.753 0.104 1.384) 2.236 13.773 ( 3.012 -2.655 0.825) 4.099 14.559 ( -2.086 -0.081 -0.868) 2.261 14.604 ( 0.702 -2.409 0.518) 2.562 16.040 ( -4.908 6.580 -2.054) 8.462 16.137 ( 0.299 1.629 1.542) 2.263 17.121 ( -10.418 8.391 4.334) 14.061 17.234 ( -5.436 2.921 -1.817) 6.433 18.291 ( 0.074 2.251 -2.004) 3.014 18.338 ( 0.478 0.376 -0.317) 0.686 18.802 ( 8.011 6.597 -1.288) 10.457 18.992 ( 15.543 -2.446 -0.914) 15.761 ======================= Grid point 353 (190/205) ======================= q-point: ( 0.22 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( 0.637 10.002 -9.208) 13.610 2.585 ( -5.440 -4.735 -8.877) 11.437 2.702 ( 5.913 7.700 -11.338) 14.927 2.912 ( -4.379 -2.676 6.273) 8.105 3.292 ( 4.821 7.609 7.049) 11.438 3.554 ( 10.038 11.184 6.960) 16.561 3.691 ( 1.197 -10.623 -3.791) 11.343 4.072 ( 4.819 -11.438 7.489) 14.496 4.372 ( 7.170 5.958 -3.140) 9.837 4.542 ( 5.160 -0.801 -2.660) 5.860 5.065 ( 5.231 8.215 -5.303) 11.089 5.275 ( 7.998 -0.595 -8.607) 11.765 6.273 ( 1.863 5.404 -0.012) 5.716 6.422 ( 2.702 0.756 1.570) 3.215 6.836 ( 3.087 -0.576 3.755) 4.895 7.126 ( 4.486 -11.815 7.643) 14.769 7.660 ( 3.462 2.147 -3.806) 5.575 7.742 ( 1.219 -2.022 1.622) 2.864 8.178 ( 0.717 9.304 1.209) 9.410 8.604 ( 4.427 -5.804 4.835) 8.755 8.815 ( 3.332 7.557 7.322) 11.037 8.914 ( -0.799 1.867 -0.174) 2.038 9.264 ( -5.385 3.409 -3.624) 7.332 9.656 ( 3.822 -15.419 -2.799) 16.130 10.162 ( -2.882 9.190 -6.832) 11.808 10.258 ( 0.620 1.089 -8.306) 8.400 10.545 ( -9.959 4.215 10.746) 15.246 10.691 ( -6.826 15.175 -6.788) 17.971 10.923 ( -3.542 -7.623 -2.085) 8.661 11.193 ( -12.077 -0.326 5.573) 13.305 11.637 ( -18.002 3.648 12.690) 22.325 11.896 ( -7.193 -18.085 1.237) 19.502 12.226 ( -5.632 -4.742 -5.580) 9.238 12.423 ( -2.584 -9.420 -5.468) 11.194 12.651 ( 8.183 -2.010 4.057) 9.352 12.892 ( 8.044 -11.189 -0.970) 13.814 13.714 ( 0.545 2.018 3.773) 4.313 13.860 ( 4.302 -3.951 3.334) 6.725 14.507 ( -2.474 1.663 -1.513) 3.343 14.611 ( -0.117 -3.484 -0.616) 3.540 15.942 ( -3.265 8.519 -1.658) 9.273 16.141 ( -1.786 -1.204 1.925) 2.889 16.941 ( -14.027 7.950 1.963) 16.242 17.045 ( -13.208 2.366 -3.136) 13.780 18.320 ( 4.231 1.743 -0.249) 4.582 18.381 ( 5.595 -0.609 -0.388) 5.642 18.983 ( 11.414 8.185 1.790) 14.159 19.248 ( 15.066 -4.542 -1.594) 15.816 ======================= Grid point 354 (191/205) ======================= q-point: ( 0.33 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( 3.666 3.933 -9.500) 10.916 2.398 ( -7.712 -3.829 -5.310) 10.116 2.616 ( 3.093 4.999 -18.228) 19.152 2.782 ( -9.496 -2.857 -6.500) 11.857 3.471 ( 6.707 5.009 7.493) 11.234 3.676 ( -2.041 -4.172 5.781) 7.415 3.833 ( 9.266 6.175 9.301) 14.508 4.191 ( -0.703 -9.447 7.348) 11.988 4.513 ( 9.979 5.807 0.834) 11.576 4.620 ( 6.239 1.158 -1.369) 6.491 5.081 ( 5.713 9.212 -10.416) 15.033 5.301 ( 7.732 0.549 -13.214) 15.320 6.340 ( 3.300 5.328 3.684) 7.270 6.497 ( 2.871 -0.086 3.419) 4.465 6.920 ( 0.892 0.143 4.156) 4.253 7.192 ( -0.087 -10.864 -0.929) 10.904 7.736 ( 8.712 5.049 -2.004) 10.267 7.853 ( 7.445 1.309 5.264) 9.212 8.223 ( 2.220 8.878 2.080) 9.385 8.554 ( -10.212 2.128 -1.193) 10.499 8.872 ( -3.594 -2.230 3.850) 5.719 9.018 ( 3.555 6.878 3.736) 8.597 9.150 ( -2.671 3.617 1.274) 4.674 9.678 ( 3.821 -15.376 -4.439) 16.454 10.014 ( -4.414 5.487 -6.101) 9.318 10.223 ( 8.066 2.447 -9.552) 12.739 10.458 ( -9.054 1.160 5.564) 10.690 10.561 ( -4.371 18.190 -2.136) 18.829 10.901 ( 2.284 -8.046 -2.552) 8.744 11.220 ( 2.518 -3.550 13.027) 13.735 11.395 ( -23.390 1.356 10.419) 25.641 11.783 ( -10.379 -25.142 5.042) 27.664 12.118 ( -1.333 -5.264 -1.732) 5.700 12.312 ( 0.371 -11.400 -7.704) 13.764 12.731 ( -1.735 2.262 -1.686) 3.312 12.930 ( -0.186 -9.672 -4.451) 10.648 13.807 ( 4.194 2.926 6.367) 8.166 13.978 ( 4.697 -4.149 4.428) 7.673 14.444 ( -2.986 2.295 -1.880) 4.209 14.579 ( -1.808 -3.375 -2.878) 4.789 15.919 ( 1.360 8.565 1.159) 8.749 16.134 ( -0.439 -2.014 1.446) 2.518 16.702 ( -14.292 6.381 -0.704) 15.667 16.762 ( -14.138 2.851 -4.227) 15.029 18.407 ( 4.501 1.717 1.480) 5.040 18.487 ( 6.177 -1.835 -0.560) 6.468 19.198 ( 9.102 6.917 5.019) 12.486 19.453 ( 11.649 -5.420 -3.497) 13.316 ======================= Grid point 355 (192/205) ======================= q-point: ( 0.44 0.38 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -0.853 -2.348 -2.772) 3.731 2.241 ( -1.039 -2.974 -5.072) 5.971 2.490 ( 2.481 1.461 -13.944) 14.239 2.525 ( -10.598 -0.932 -7.236) 12.867 3.650 ( 7.303 2.047 3.311) 8.276 3.691 ( -3.866 -0.010 6.233) 7.335 4.045 ( 4.159 2.355 8.910) 10.111 4.191 ( -6.141 -4.539 5.172) 9.223 4.657 ( 1.859 5.152 4.656) 7.189 4.742 ( 6.750 2.590 3.460) 8.015 5.047 ( 3.233 8.894 -10.998) 14.509 5.255 ( 3.960 1.336 -16.201) 16.732 6.441 ( 1.959 5.529 6.419) 8.696 6.566 ( 1.072 1.996 1.935) 2.979 6.948 ( -1.756 -2.076 4.420) 5.190 7.144 ( 0.059 -9.097 -6.650) 11.269 7.911 ( 11.631 9.067 1.032) 14.784 8.040 ( 6.062 7.382 3.678) 10.236 8.248 ( -1.730 6.303 -1.430) 6.690 8.345 ( -8.616 7.622 -1.426) 11.591 8.848 ( -6.106 -1.115 6.899) 9.280 9.006 ( 4.930 3.859 -10.195) 11.963 9.186 ( -3.459 -7.771 12.671) 15.262 9.606 ( -4.328 -13.064 -10.760) 17.469 10.042 ( 3.976 8.743 7.815) 12.383 10.271 ( 5.668 9.992 -6.528) 13.213 10.435 ( -0.815 -7.746 3.874) 8.700 10.479 ( 1.453 10.693 -4.063) 11.530 10.942 ( 9.469 -2.259 -6.703) 11.819 11.061 ( -25.063 4.114 6.537) 26.226 11.460 ( 9.841 -11.367 10.353) 18.255 11.661 ( -12.462 -25.600 9.022) 29.867 12.136 ( 5.712 -3.099 -0.651) 6.531 12.329 ( 4.585 -8.126 -3.339) 9.910 12.603 ( -5.476 -0.345 -3.299) 6.402 12.808 ( -6.516 -11.201 -7.569) 15.007 13.966 ( 5.504 1.908 7.091) 9.177 14.095 ( 3.555 -2.795 2.995) 5.424 14.369 ( -3.778 1.614 -0.534) 4.143 14.491 ( -3.083 -2.485 -5.340) 6.648 16.010 ( 4.924 7.597 4.561) 10.137 16.159 ( 1.642 0.188 -0.280) 1.676 16.471 ( -8.565 4.834 -2.234) 10.086 16.522 ( -8.976 2.383 -3.119) 9.796 18.483 ( 1.642 1.361 2.543) 3.318 18.551 ( 2.350 -1.703 -1.705) 3.366 19.372 ( 3.843 3.838 6.512) 8.480 19.560 ( 6.529 -5.131 -6.455) 10.518 ======================= Grid point 356 (193/205) ======================= q-point: (-0.44 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -8.487 0.470 4.800) 9.762 2.283 ( 5.004 -7.257 -5.520) 10.401 2.335 ( -4.582 2.486 1.102) 5.329 2.460 ( 4.631 -2.354 -2.079) 5.596 3.659 ( -5.000 3.923 2.311) 6.763 3.773 ( 5.932 -1.198 -1.872) 6.335 4.089 ( -10.188 1.221 4.870) 11.358 4.165 ( -0.739 -1.911 6.554) 6.867 4.679 ( -6.147 8.013 6.356) 11.933 4.839 ( 2.636 1.615 -3.826) 4.919 4.993 ( -2.529 5.810 1.165) 6.443 5.115 ( -0.799 2.112 -14.179) 14.357 6.497 ( -3.941 5.304 4.393) 7.935 6.572 ( 1.122 4.056 -1.455) 4.452 6.968 ( -3.335 -4.493 6.725) 8.748 7.093 ( 3.428 -8.286 -6.723) 11.207 7.954 ( -10.574 10.182 -3.184) 15.021 8.107 ( 5.111 10.010 -3.416) 11.747 8.227 ( -2.313 4.811 0.403) 5.353 8.305 ( 6.618 8.000 2.601) 10.703 8.811 ( -5.986 2.490 8.365) 10.583 9.015 ( 6.623 -0.639 -9.091) 11.266 9.310 ( -1.868 -12.630 14.022) 18.964 9.448 ( 2.994 -7.301 -8.419) 11.539 10.125 ( -3.487 8.458 3.741) 9.884 10.281 ( 3.495 13.557 -10.950) 17.773 10.374 ( -7.612 -3.276 3.767) 9.103 10.541 ( 4.659 -1.452 -4.258) 6.476 10.770 ( -11.522 0.336 9.901) 15.196 11.173 ( 23.234 3.801 -4.771) 24.021 11.529 ( -9.687 -21.750 3.618) 24.083 11.738 ( 13.797 -18.336 3.387) 23.195 12.202 ( -7.895 -0.281 -8.423) 11.548 12.281 ( 5.209 -1.987 1.110) 5.685 12.590 ( -5.018 -8.149 0.119) 9.570 12.685 ( 6.376 -9.804 2.488) 11.956 14.067 ( -3.358 1.861 -0.210) 3.845 14.119 ( 1.979 -0.406 -2.038) 2.869 14.350 ( -2.034 -0.078 4.591) 5.022 14.423 ( 2.793 -2.843 -1.814) 4.379 16.042 ( -8.122 7.602 2.171) 11.334 16.182 ( 3.998 1.450 -3.266) 5.362 16.446 ( 5.006 3.315 0.191) 6.008 16.470 ( 7.297 2.589 2.126) 8.030 18.505 ( -2.412 0.568 2.733) 3.690 18.532 ( -2.137 -0.747 -2.208) 3.162 19.441 ( -3.100 1.149 4.905) 5.915 19.538 ( 0.501 -3.208 -9.419) 9.963 ======================= Grid point 357 (194/205) ======================= q-point: (-0.33 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -5.538 5.616 8.059) 11.277 2.267 ( -5.599 4.646 12.386) 14.364 2.393 ( 6.195 -5.799 -1.688) 8.652 2.612 ( 7.862 -7.293 8.612) 13.754 3.571 ( -4.813 6.973 -2.709) 8.895 3.807 ( 2.802 -4.037 -6.080) 7.817 3.910 ( -15.063 6.877 2.500) 16.746 4.176 ( -6.310 -5.425 6.733) 10.704 4.565 ( -11.984 10.096 2.148) 15.817 4.741 ( -0.840 1.275 -15.101) 15.178 4.955 ( -3.822 3.762 3.667) 6.496 5.054 ( -2.354 0.192 6.625) 7.033 6.416 ( -4.947 4.816 -2.332) 7.287 6.557 ( -2.061 1.223 -2.092) 3.181 6.955 ( -2.492 -2.361 1.814) 3.883 7.143 ( 4.311 -8.895 1.103) 9.946 7.736 ( -9.876 7.725 -2.416) 12.769 7.960 ( -8.751 0.940 -5.925) 10.610 8.260 ( 0.526 8.418 -1.490) 8.565 8.500 ( 10.333 6.775 4.392) 13.113 8.860 ( 0.302 7.046 10.399) 12.565 8.996 ( 2.337 -1.110 -8.158) 8.558 9.349 ( 2.505 -8.465 -2.754) 9.247 9.536 ( -1.037 -9.507 3.207) 10.086 9.935 ( -9.892 6.172 1.529) 11.759 10.149 ( -8.658 4.662 -2.514) 10.150 10.396 ( 4.018 12.813 5.593) 14.546 10.648 ( 12.548 2.177 -4.413) 13.479 10.820 ( 3.283 -5.407 4.820) 7.953 11.413 ( -3.226 -13.349 -4.236) 14.372 11.547 ( 23.849 1.480 -5.231) 24.460 11.912 ( 4.558 -20.864 -9.190) 23.250 12.086 ( 2.905 -5.731 3.690) 7.409 12.219 ( -4.882 -9.654 -0.445) 10.828 12.664 ( 5.190 0.717 4.960) 7.214 12.828 ( 2.384 -7.167 5.852) 9.554 13.929 ( -5.865 3.807 -5.689) 9.014 14.074 ( -3.033 -2.278 -5.260) 6.485 14.391 ( 1.949 1.445 3.887) 4.582 14.515 ( 3.953 -4.162 3.308) 6.625 15.926 ( -5.134 9.446 0.617) 10.769 16.180 ( 1.758 -2.557 -3.285) 4.519 16.670 ( 15.413 4.103 3.627) 16.357 16.679 ( 12.925 4.232 3.014) 13.930 18.440 ( -5.513 0.188 -1.762) 5.791 18.458 ( -6.086 -0.357 2.062) 6.436 19.339 ( -8.469 1.789 -5.756) 10.395 19.419 ( -6.116 -1.278 -3.327) 7.079 ======================= Grid point 358 (195/205) ======================= q-point: (-0.22 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.062 ( -1.921 10.218 10.866) 15.039 2.349 ( -4.124 7.925 18.857) 20.866 2.482 ( 2.737 -5.306 3.484) 6.913 2.848 ( 7.154 -9.006 10.253) 15.409 3.452 ( -3.032 8.422 -7.114) 11.433 3.640 ( -17.233 11.429 0.024) 20.679 3.748 ( -1.283 -6.200 -7.493) 9.810 4.086 ( -11.454 -8.819 5.910) 15.618 4.369 ( -9.076 11.047 -0.827) 14.321 4.589 ( -1.614 -0.398 -9.391) 9.537 4.966 ( -0.821 2.770 5.064) 5.831 5.093 ( -2.549 -1.173 8.045) 8.520 6.313 ( -3.265 4.448 -3.260) 6.409 6.475 ( -3.010 -1.179 -3.789) 4.981 6.914 ( -2.879 0.651 -2.040) 3.588 7.207 ( 1.527 -11.060 -1.061) 11.215 7.605 ( -4.450 5.522 1.565) 7.263 7.796 ( -3.639 -2.585 -3.568) 5.715 8.222 ( -0.811 8.916 -3.143) 9.489 8.651 ( 1.490 -3.301 0.854) 3.721 8.880 ( -3.887 1.384 1.048) 4.256 9.021 ( -0.972 7.574 -6.534) 10.050 9.213 ( -1.618 4.513 -6.439) 8.028 9.512 ( -5.492 -14.598 12.543) 20.015 9.979 ( -4.980 9.073 8.146) 13.171 10.103 ( 8.298 1.192 7.795) 11.447 10.550 ( 7.191 11.075 4.370) 13.909 10.788 ( 10.160 4.590 -8.251) 13.870 10.923 ( 6.887 -5.791 -1.927) 9.202 11.350 ( 5.942 -3.183 -9.164) 11.376 11.835 ( 14.779 -2.701 -4.383) 15.650 11.877 ( 0.571 -14.262 -0.553) 14.284 12.159 ( 4.513 -6.274 0.798) 7.770 12.309 ( 6.466 -13.266 5.377) 15.707 12.708 ( -3.323 -0.539 -1.018) 3.517 12.855 ( -5.013 -7.107 3.326) 9.311 13.793 ( -3.844 3.612 -4.113) 6.689 13.958 ( -2.823 -2.846 -6.536) 7.667 14.465 ( 2.344 1.994 2.881) 4.215 14.588 ( 1.602 -4.445 1.722) 5.029 15.899 ( -0.061 10.657 2.654) 10.983 16.196 ( 3.660 -3.334 -3.513) 6.071 16.934 ( 12.182 5.333 3.879) 13.852 16.980 ( 15.878 3.466 2.262) 16.409 18.325 ( -5.851 0.750 -0.625) 5.932 18.361 ( -6.353 -0.683 1.446) 6.551 19.091 ( -10.617 6.140 -8.602) 14.980 19.247 ( -10.881 -1.385 -2.080) 11.164 ======================= Grid point 359 (196/205) ======================= q-point: (-0.11 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 324 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( 1.358 11.598 12.777) 17.310 2.472 ( -4.003 14.441 16.015) 21.933 2.552 ( -0.542 -7.247 8.257) 11.000 3.004 ( 2.943 -7.878 0.607) 8.431 3.328 ( -1.182 9.078 -10.461) 13.901 3.372 ( -11.857 12.916 -0.752) 17.549 3.660 ( -1.373 -7.849 -1.116) 8.046 3.937 ( -10.442 -11.727 3.382) 16.062 4.293 ( -1.665 9.708 3.316) 10.393 4.499 ( -0.245 0.135 -5.630) 5.637 5.014 ( 1.266 1.194 3.359) 3.783 5.113 ( -2.231 -2.003 3.564) 4.658 6.258 ( -0.305 4.462 -0.732) 4.532 6.402 ( -1.326 -0.241 -2.854) 3.156 6.820 ( -3.103 0.574 -4.592) 5.572 7.130 ( -4.363 -10.943 -9.677) 15.245 7.613 ( 1.784 3.818 3.530) 5.497 7.766 ( 2.267 -3.709 -1.918) 4.751 8.195 ( 0.998 6.027 -2.123) 6.468 8.507 ( -11.649 -4.606 -6.401) 14.067 8.820 ( -1.348 3.826 -2.235) 4.631 8.887 ( -3.865 3.388 -1.264) 5.293 9.266 ( 0.389 -4.101 8.941) 9.844 9.543 ( -3.860 -12.211 7.561) 14.872 10.045 ( -0.718 13.883 13.383) 19.296 10.317 ( 7.510 2.659 0.657) 7.994 10.655 ( 0.605 4.323 1.399) 4.583 10.877 ( 9.739 5.934 -10.519) 15.515 11.058 ( 13.749 0.971 2.405) 13.992 11.491 ( 17.375 1.377 -2.261) 17.575 11.863 ( -3.153 2.056 -5.184) 6.406 11.978 ( 3.427 -3.041 3.588) 5.819 12.243 ( -0.245 -7.969 4.407) 9.110 12.437 ( 3.589 -11.706 2.452) 12.486 12.560 ( -8.250 -7.816 -5.943) 12.824 12.747 ( -5.734 -11.482 -2.205) 13.022 13.719 ( -1.887 2.160 -0.965) 3.026 13.855 ( -1.378 -2.684 -6.629) 7.284 14.527 ( 1.860 1.085 2.192) 3.073 14.611 ( 0.144 -3.718 0.119) 3.723 15.963 ( 2.570 9.917 4.680) 11.263 16.209 ( 2.149 -1.743 -4.651) 5.412 17.137 ( 5.948 6.142 4.127) 9.494 17.208 ( 8.840 3.620 -0.543) 9.568 18.257 ( -1.587 1.748 1.408) 2.748 18.320 ( 0.393 -0.957 1.381) 1.725 18.847 ( -7.894 7.748 -6.001) 12.584 19.021 ( -11.479 -0.728 -3.798) 12.113 ======================= Grid point 360 (197/205) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( 0.340 -6.494 15.147) 16.484 2.527 ( 0.340 6.494 15.147) 16.484 2.784 ( -1.853 -10.588 -4.465) 11.639 2.784 ( -1.853 10.588 -4.465) 11.639 3.460 ( 1.963 -6.685 -0.836) 7.017 3.460 ( 1.963 6.685 -0.836) 7.017 3.536 ( -1.543 -10.485 -2.447) 10.877 3.536 ( -1.543 10.485 -2.447) 10.877 4.456 ( 0.836 -3.201 -0.063) 3.309 4.456 ( 0.836 3.201 -0.063) 3.309 5.078 ( 1.330 -1.639 0.831) 2.269 5.078 ( 1.330 1.639 0.831) 2.269 6.370 ( 1.155 -2.894 1.495) 3.455 6.370 ( 1.155 2.894 1.495) 3.455 6.777 ( -1.871 -4.605 -7.355) 8.877 6.777 ( -1.871 4.605 -7.355) 8.877 7.731 ( 2.003 -1.926 -1.518) 3.167 7.731 ( 2.003 1.926 -1.518) 3.167 8.263 ( -1.345 -1.497 -1.179) 2.332 8.263 ( -1.345 1.497 -1.179) 2.332 8.877 ( -1.448 -0.267 1.868) 2.379 8.877 ( -1.448 0.267 1.868) 2.379 9.308 ( -1.535 -3.807 5.785) 7.093 9.308 ( -1.535 3.807 5.785) 7.093 10.354 ( 0.360 -4.245 1.362) 4.473 10.354 ( 0.360 4.245 1.362) 4.473 10.771 ( 0.699 -5.278 -1.764) 5.608 10.771 ( 0.699 5.278 -1.764) 5.608 11.673 ( 7.363 -10.122 4.616) 13.341 11.673 ( 7.363 10.122 4.616) 13.341 11.886 ( -5.245 -6.001 -3.028) 8.526 11.886 ( -5.245 6.001 -3.028) 8.526 12.189 ( -5.786 -8.620 8.174) 13.214 12.189 ( -5.786 8.620 8.174) 13.214 12.434 ( 3.872 -5.865 -9.676) 11.959 12.434 ( 3.872 5.865 -9.676) 11.959 13.735 ( -0.772 -1.938 -1.886) 2.812 13.735 ( -0.772 1.938 -1.886) 2.812 14.569 ( 0.122 -0.704 0.433) 0.835 14.569 ( 0.122 0.704 0.433) 0.835 16.153 ( 0.191 -2.664 -0.130) 2.674 16.153 ( 0.191 2.664 -0.130) 2.674 17.296 ( -1.156 -2.120 2.180) 3.253 17.296 ( -1.156 2.120 2.180) 3.253 18.337 ( 1.391 -1.173 1.124) 2.139 18.337 ( 1.391 1.173 1.124) 2.139 18.826 ( 0.279 -1.705 -4.296) 4.631 18.826 ( 0.279 1.705 -4.296) 4.631 ======================= Grid point 362 (198/205) ======================= q-point: ( 0.11 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.598 ( -2.669 -8.748 -5.270) 10.556 2.598 ( -2.669 8.748 -5.270) 10.556 2.757 ( 1.803 -3.146 7.551) 8.376 2.757 ( 1.803 3.146 7.551) 8.376 3.450 ( 1.344 -13.194 -3.855) 13.812 3.450 ( 1.344 13.194 -3.855) 13.812 3.621 ( 8.035 -13.768 3.214) 16.262 3.621 ( 8.035 13.768 3.214) 16.262 4.455 ( 0.816 -4.222 -1.795) 4.660 4.455 ( 0.816 4.222 -1.795) 4.660 5.138 ( 6.188 -4.497 -2.423) 8.024 5.138 ( 6.188 4.497 -2.423) 8.024 6.380 ( 0.335 -3.079 -2.026) 3.701 6.380 ( 0.335 3.079 -2.026) 3.701 6.777 ( 3.926 -3.774 3.629) 6.544 6.777 ( 3.926 3.774 3.629) 6.544 7.706 ( -1.054 -1.139 -2.556) 2.990 7.706 ( -1.054 1.139 -2.556) 2.990 8.309 ( 4.958 -6.501 1.546) 8.321 8.309 ( 4.958 6.501 1.546) 8.321 8.899 ( 1.332 -5.906 2.731) 6.641 8.899 ( 1.332 5.906 2.731) 6.641 9.338 ( 0.133 -6.928 2.054) 7.227 9.338 ( 0.133 6.928 2.054) 7.227 10.346 ( -1.687 -0.492 -0.615) 1.861 10.346 ( -1.687 0.492 -0.615) 1.861 10.751 ( -1.450 -6.005 -1.525) 6.364 10.751 ( -1.450 6.006 -1.525) 6.364 11.381 ( -22.851 -10.712 -4.033) 25.557 11.381 ( -22.851 10.712 -4.033) 25.557 11.868 ( -9.836 -5.873 5.563) 12.735 11.868 ( -9.836 5.873 5.563) 12.735 12.316 ( 3.049 -6.004 -1.605) 6.922 12.316 ( 3.049 6.004 -1.605) 6.922 12.460 ( 12.408 -9.158 0.175) 15.423 12.460 ( 12.408 9.158 0.175) 15.423 13.728 ( 0.431 -1.881 1.468) 2.425 13.728 ( 0.431 1.881 1.468) 2.425 14.567 ( -0.427 -1.074 -0.271) 1.187 14.567 ( -0.427 1.074 -0.271) 1.187 16.129 ( -2.491 -2.305 -0.275) 3.405 16.129 ( -2.491 2.305 -0.275) 3.405 17.236 ( -8.221 -2.747 1.438) 8.787 17.236 ( -8.221 2.747 1.438) 8.787 18.330 ( 0.017 -1.225 -1.590) 2.007 18.330 ( 0.017 1.225 -1.590) 2.007 18.920 ( 11.625 -4.673 -0.712) 12.549 18.920 ( 11.625 4.673 -0.712) 12.549 ======================= Grid point 364 (199/205) ======================= q-point: ( 0.22 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( -3.156 -8.109 -10.259) 13.452 2.453 ( -3.156 8.109 -10.259) 13.452 2.832 ( 0.140 -5.029 -2.076) 5.442 2.832 ( 0.140 5.029 -2.076) 5.442 3.470 ( 2.766 -9.866 1.944) 10.429 3.470 ( 2.766 9.866 1.944) 10.429 3.812 ( 7.422 -12.992 7.272) 16.636 3.812 ( 7.422 12.992 7.272) 16.636 4.487 ( 5.653 -4.408 -1.682) 7.363 4.487 ( 5.653 4.408 -1.682) 7.363 5.213 ( 8.012 -5.488 -7.722) 12.407 5.213 ( 8.012 5.488 -7.722) 12.407 6.381 ( 2.148 -4.382 -0.579) 4.915 6.381 ( 2.148 4.382 -0.579) 4.915 6.914 ( 4.008 -7.888 6.455) 10.952 6.914 ( 4.008 7.888 6.455) 10.952 7.701 ( 3.315 -1.957 -0.250) 3.858 7.701 ( 3.315 1.957 -0.250) 3.858 8.396 ( 2.546 -11.347 1.506) 11.726 8.396 ( 2.546 11.347 1.506) 11.726 8.981 ( 2.113 -3.460 5.540) 6.864 8.981 ( 2.113 3.460 5.540) 6.864 9.346 ( 1.294 -10.462 -2.392) 10.810 9.346 ( 1.294 10.462 -2.392) 10.810 10.255 ( -5.122 -0.781 -6.767) 8.522 10.255 ( -5.122 0.781 -6.767) 8.522 10.691 ( -3.988 -9.498 0.615) 10.320 10.691 ( -3.988 9.498 0.615) 10.320 11.071 ( -10.287 -13.837 1.839) 17.340 11.071 ( -10.287 13.837 1.839) 17.340 11.681 ( -17.532 -2.732 6.394) 18.860 11.681 ( -17.532 2.732 6.394) 18.860 12.220 ( -3.427 -5.790 -8.186) 10.596 12.220 ( -3.427 5.790 -8.186) 10.596 12.721 ( 9.787 -6.198 3.218) 12.024 12.721 ( 9.787 6.198 3.218) 12.024 13.781 ( 2.373 -3.843 4.154) 6.137 13.781 ( 2.373 3.844 4.154) 6.137 14.548 ( -0.883 -2.524 -1.264) 2.958 14.548 ( -0.883 2.524 -1.264) 2.958 16.078 ( -2.836 -4.827 0.099) 5.599 16.078 ( -2.836 4.827 0.099) 5.599 17.047 ( -13.877 -2.394 -0.689) 14.099 17.047 ( -13.877 2.394 -0.689) 14.099 18.358 ( 4.650 -1.624 -0.713) 4.976 18.358 ( 4.650 1.624 -0.713) 4.976 19.135 ( 12.574 -6.472 0.501) 14.151 19.135 ( 12.574 6.472 0.501) 14.151 ======================= Grid point 366 (200/205) ======================= q-point: ( 0.33 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.301 ( -3.167 -5.252 -8.580) 10.547 2.301 ( -3.167 5.252 -8.580) 10.547 2.710 ( -3.531 -4.085 -13.299) 14.354 2.710 ( -3.531 4.085 -13.299) 14.354 3.573 ( 2.575 -5.130 7.557) 9.489 3.573 ( 2.575 5.130 7.557) 9.489 3.998 ( 3.842 -9.103 9.111) 13.440 3.998 ( 3.842 9.103 9.111) 13.440 4.604 ( 7.777 -2.746 0.874) 8.293 4.604 ( 7.777 2.746 0.874) 8.293 5.243 ( 7.559 -5.895 -12.763) 15.962 5.243 ( 7.559 5.895 -12.763) 15.962 6.445 ( 3.356 -4.363 3.323) 6.430 6.445 ( 3.356 4.363 3.323) 6.430 7.000 ( 0.879 -7.205 1.667) 7.448 7.000 ( 0.879 7.205 1.667) 7.448 7.831 ( 10.192 -3.429 2.746) 11.099 7.831 ( 10.192 3.429 2.746) 11.099 8.422 ( -1.507 -10.039 1.325) 10.238 8.422 ( -1.507 10.039 1.325) 10.238 9.013 ( -5.118 -8.374 5.574) 11.287 9.013 ( -5.118 8.374 5.574) 11.287 9.335 ( 1.015 -14.526 -5.825) 15.683 9.335 ( 1.015 14.526 -5.825) 15.683 10.138 ( 1.755 -7.417 -4.069) 8.639 10.138 ( 1.755 7.417 -4.069) 8.639 10.625 ( -4.903 -10.542 -0.691) 11.647 10.625 ( -4.903 10.542 -0.691) 11.647 11.032 ( 0.796 -16.940 3.001) 17.222 11.032 ( 0.796 16.940 3.001) 17.222 11.447 ( -18.398 -5.861 9.602) 21.565 11.447 ( -18.398 5.861 9.602) 21.565 12.107 ( 0.398 -5.370 -5.902) 7.989 12.107 ( 0.398 5.370 -5.902) 7.989 12.799 ( -1.286 -4.301 -2.376) 5.079 12.799 ( -1.286 4.301 -2.376) 5.079 13.889 ( 4.054 -4.497 6.040) 8.552 13.889 ( 4.054 4.497 6.040) 8.552 14.506 ( -1.903 -3.542 -2.804) 4.902 14.506 ( -1.903 3.542 -2.804) 4.902 16.059 ( 0.390 -5.167 1.329) 5.349 16.059 ( 0.390 5.167 1.329) 5.349 16.780 ( -14.487 -1.310 -2.558) 14.770 16.780 ( -14.487 1.310 -2.558) 14.770 18.447 ( 5.085 -2.056 0.446) 5.503 18.447 ( 5.085 2.056 0.446) 5.503 19.333 ( 9.578 -6.240 0.596) 11.447 19.333 ( 9.578 6.240 0.596) 11.447 ======================= Grid point 368 (201/205) ======================= q-point: ( 0.44 -0.50 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.184 ( -1.834 -1.705 -5.363) 5.919 2.184 ( -1.834 1.705 -5.363) 5.919 2.512 ( -3.931 -0.712 -10.510) 11.243 2.512 ( -3.931 0.712 -10.510) 11.243 3.679 ( 1.845 -1.012 5.062) 5.482 3.679 ( 1.845 1.012 5.062) 5.482 4.108 ( -0.971 -3.629 7.605) 8.482 4.108 ( -0.971 3.629 7.605) 8.482 4.742 ( 3.838 -2.481 5.278) 6.982 4.742 ( 3.838 2.481 5.278) 6.982 5.204 ( 4.167 -5.743 -14.841) 16.450 5.204 ( 4.167 5.743 -14.841) 16.450 6.542 ( 1.949 -3.723 5.563) 6.972 6.542 ( 1.949 3.723 5.563) 6.972 6.989 ( -0.816 -5.477 -2.494) 6.073 6.989 ( -0.816 5.477 -2.494) 6.073 8.073 ( 12.555 -5.183 4.095) 14.186 8.073 ( 12.555 5.183 4.095) 14.186 8.353 ( -6.146 -5.258 -2.163) 8.373 8.353 ( -6.146 5.258 -2.163) 8.373 8.983 ( -5.500 -11.151 8.578) 15.105 8.983 ( -5.500 11.151 8.578) 15.105 9.249 ( 0.062 -17.865 -10.197) 20.571 9.249 ( 0.062 17.865 -10.197) 20.571 10.224 ( 5.081 -10.131 3.868) 11.975 10.224 ( 5.081 10.131 3.868) 11.975 10.516 ( -3.395 -9.084 -4.573) 10.722 10.516 ( -3.395 9.084 -4.573) 10.722 11.097 ( 1.565 -14.868 1.348) 15.010 11.097 ( 1.565 14.868 1.348) 15.010 11.273 ( -10.028 -10.378 7.878) 16.442 11.273 ( -10.028 10.378 7.878) 16.442 12.158 ( 8.325 -5.639 0.381) 10.062 12.158 ( 8.325 5.639 0.381) 10.062 12.657 ( -8.493 -4.716 -6.232) 11.542 12.657 ( -8.493 4.716 -6.232) 11.542 14.028 ( 4.337 -3.596 6.065) 8.278 14.028 ( 4.337 3.596 6.065) 8.278 14.425 ( -3.221 -3.511 -3.896) 6.155 14.425 ( -3.221 3.511 -3.896) 6.155 16.122 ( 3.990 -3.554 2.471) 5.887 16.122 ( 3.990 3.554 2.471) 5.887 16.536 ( -9.547 -1.231 -2.988) 10.079 16.536 ( -9.547 1.231 -2.988) 10.079 18.516 ( 1.853 -1.723 0.705) 2.627 18.516 ( 1.853 1.723 0.705) 2.627 19.459 ( 4.728 -4.624 -0.358) 6.623 19.459 ( 4.728 4.624 -0.358) 6.623 ======================= Grid point 370 (202/205) ======================= q-point: (-0.44 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.671 -5.157 -1.156) 5.327 2.141 ( 0.671 5.157 -1.156) 5.327 2.404 ( -1.742 -3.228 -0.042) 3.669 2.404 ( -1.742 3.228 -0.042) 3.669 3.728 ( 0.691 -2.885 0.051) 2.967 3.728 ( 0.691 2.885 0.051) 2.967 4.125 ( -4.829 -1.975 5.646) 7.688 4.125 ( -4.829 1.976 5.646) 7.688 4.812 ( -2.818 -4.316 5.079) 7.236 4.812 ( -2.818 4.316 5.079) 7.236 5.094 ( -0.985 -3.574 -10.267) 10.915 5.094 ( -0.985 3.574 -10.267) 10.915 6.587 ( -2.450 -2.639 2.561) 4.419 6.587 ( -2.450 2.639 2.561) 4.419 6.961 ( 0.855 -3.804 -1.206) 4.081 6.961 ( 0.855 3.804 -1.206) 4.081 8.146 ( -11.143 -7.297 -3.270) 13.715 8.146 ( -11.143 7.297 -3.270) 13.715 8.322 ( 9.719 -5.994 0.621) 11.435 8.322 ( 9.719 5.994 0.621) 11.435 8.999 ( -4.965 -14.947 10.872) 19.138 8.999 ( -4.965 14.947 10.872) 19.138 9.202 ( 7.429 -14.666 -9.388) 18.932 9.202 ( 7.429 14.666 -9.388) 18.932 10.254 ( -7.725 -6.371 2.569) 10.338 10.254 ( -7.725 6.371 2.569) 10.338 10.499 ( 7.993 -6.940 -4.072) 11.342 10.499 ( 7.993 6.940 -4.072) 11.342 11.018 ( -11.136 -21.272 8.295) 25.403 11.018 ( -11.136 21.272 8.295) 25.403 11.390 ( 16.229 -13.051 -3.237) 21.075 11.390 ( 16.229 13.051 -3.237) 21.075 12.228 ( -4.362 -2.530 -5.398) 7.387 12.228 ( -4.362 2.530 -5.398) 7.387 12.551 ( 4.339 -3.110 3.527) 6.398 12.551 ( 4.339 3.110 3.527) 6.398 14.107 ( -0.356 -1.308 -0.860) 1.606 14.107 ( -0.356 1.308 -0.860) 1.606 14.366 ( 0.155 -2.052 1.089) 2.328 14.366 ( 0.155 2.052 1.089) 2.328 16.155 ( -3.063 -3.546 -0.665) 4.733 16.155 ( -3.063 3.546 -0.665) 4.733 16.491 ( 7.157 -0.701 1.293) 7.307 16.491 ( 7.157 0.701 1.293) 7.307 18.518 ( -2.404 -0.649 0.523) 2.544 18.518 ( -2.404 0.649 0.523) 2.544 19.478 ( -1.001 -2.486 -2.272) 3.513 19.478 ( -1.001 2.486 -2.272) 3.513 ======================= Grid point 372 (203/205) ======================= q-point: (-0.33 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 1.582 -8.302 3.732) 9.238 2.176 ( 1.582 8.302 3.732) 9.238 2.458 ( 1.397 -7.417 10.501) 12.932 2.458 ( 1.397 7.417 10.501) 12.932 3.702 ( -0.773 -5.916 -4.844) 7.686 3.702 ( -0.773 5.916 -4.844) 7.686 4.052 ( -9.581 -6.619 3.727) 12.227 4.052 ( -9.581 6.619 3.727) 12.227 4.716 ( -6.789 -4.218 -6.223) 10.130 4.716 ( -6.789 4.218 -6.223) 10.130 5.025 ( -3.663 -2.685 5.153) 6.869 5.025 ( -3.663 2.685 5.153) 6.869 6.516 ( -4.904 -4.350 -2.364) 6.969 6.516 ( -4.904 4.350 -2.364) 6.969 6.992 ( 1.640 -5.272 1.311) 5.675 6.992 ( 1.640 5.272 1.311) 5.675 7.895 ( -11.532 -6.621 -4.191) 13.942 7.895 ( -11.532 6.621 -4.191) 13.942 8.451 ( 4.503 -9.299 -1.247) 10.407 8.451 ( 4.503 9.299 -1.247) 10.407 9.032 ( -1.721 -14.004 8.048) 16.243 9.032 ( -1.721 14.004 8.048) 16.243 9.277 ( 6.900 -13.376 -5.050) 15.876 9.277 ( 6.900 13.376 -5.050) 15.876 10.094 ( -9.319 -7.482 1.337) 12.026 10.094 ( -9.319 7.482 1.337) 12.026 10.635 ( 9.782 -8.805 -2.509) 13.399 10.635 ( 9.782 8.805 -2.509) 13.399 10.989 ( -1.427 -24.113 7.232) 25.215 10.989 ( -1.427 24.113 7.232) 25.215 11.630 ( 16.378 -7.576 -8.142) 19.797 11.630 ( 16.378 7.576 -8.142) 19.797 12.070 ( -3.147 -3.698 -2.338) 5.389 12.070 ( -3.147 3.698 -2.338) 5.389 12.718 ( 4.485 -4.051 5.831) 8.398 12.718 ( 4.485 4.051 5.831) 8.398 14.014 ( -4.055 -3.741 -6.403) 8.452 14.014 ( -4.055 3.741 -6.403) 8.452 14.437 ( 2.780 -3.143 4.266) 5.984 14.437 ( 2.780 3.143 4.266) 5.984 16.086 ( -1.696 -6.277 -1.487) 6.670 16.086 ( -1.696 6.277 -1.487) 6.670 16.718 ( 14.176 -0.542 3.654) 14.650 16.718 ( 14.176 0.542 3.654) 14.650 18.449 ( -5.894 -0.539 0.322) 5.927 18.449 ( -5.894 0.539 0.322) 5.927 19.382 ( -6.228 -2.176 -4.253) 7.849 19.382 ( -6.228 2.176 -4.253) 7.849 ======================= Grid point 374 (204/205) ======================= q-point: (-0.22 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( 0.866 -9.146 8.669) 12.632 2.261 ( 0.866 9.146 8.669) 12.632 2.628 ( 2.394 -11.769 14.424) 18.770 2.628 ( 2.394 11.769 14.424) 18.770 3.609 ( -1.814 -7.185 -8.561) 11.323 3.609 ( -1.814 7.185 -8.561) 11.323 3.877 ( -13.434 -11.206 1.519) 17.560 3.877 ( -13.434 11.206 1.519) 17.560 4.535 ( -5.062 -5.080 -6.250) 9.513 4.535 ( -5.062 5.080 -6.250) 9.513 5.041 ( -3.321 -3.654 8.353) 9.703 5.041 ( -3.321 3.654 8.353) 9.703 6.409 ( -3.658 -4.544 -2.902) 6.515 6.409 ( -3.658 4.544 -2.902) 6.515 7.006 ( -0.407 -7.808 -2.188) 8.119 7.006 ( -0.407 7.808 -2.188) 8.119 7.719 ( -4.875 -4.925 -1.818) 7.164 7.719 ( -4.875 4.925 -1.818) 7.164 8.445 ( -1.646 -12.115 -3.377) 12.684 8.445 ( -1.646 12.115 -3.377) 12.684 9.068 ( -3.050 -9.183 1.079) 9.736 9.068 ( -3.050 9.183 1.079) 9.736 9.261 ( -3.410 -4.198 0.409) 5.423 9.261 ( -3.410 4.198 0.409) 5.423 10.098 ( 4.380 -2.505 8.336) 9.745 10.098 ( 4.380 2.505 8.336) 9.745 10.738 ( 5.841 -8.720 -3.940) 11.211 10.738 ( 5.841 8.720 -3.940) 11.211 11.089 ( 7.387 -20.121 2.088) 21.536 11.089 ( 7.387 20.121 2.088) 21.536 11.774 ( 10.419 -6.369 -4.524) 13.022 11.774 ( 10.419 6.369 -4.524) 13.022 12.127 ( 7.164 -3.837 1.526) 8.269 12.127 ( 7.164 3.837 1.526) 8.269 12.749 ( -5.509 -3.715 0.866) 6.701 12.749 ( -5.509 3.715 0.866) 6.701 13.883 ( -3.207 -4.393 -6.178) 8.231 13.883 ( -3.207 4.393 -6.178) 8.231 14.512 ( 1.818 -2.900 2.546) 4.266 14.512 ( 1.818 2.900 2.546) 4.266 16.084 ( 2.147 -7.334 -0.495) 7.658 16.084 ( 2.147 7.334 -0.495) 7.658 17.002 ( 13.715 -1.275 3.757) 14.278 17.002 ( 13.715 1.275 3.757) 14.278 18.344 ( -6.075 -0.982 0.678) 6.191 18.344 ( -6.075 0.982 0.678) 6.191 19.194 ( -9.478 -3.838 -5.467) 11.595 19.194 ( -9.478 3.838 -5.467) 11.595 ======================= Grid point 376 (205/205) ======================= q-point: (-0.11 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.32e-04 2.32e-04 2.32e-04 2.32e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.378 ( 0.087 -8.595 12.895) 15.498 2.378 ( 0.087 8.595 12.895) 15.498 2.781 ( 0.596 -13.573 8.270) 15.905 2.781 ( 0.596 13.573 8.270) 15.905 3.491 ( -0.779 -7.637 -8.276) 11.288 3.491 ( -0.779 7.637 -8.276) 11.288 3.665 ( -10.953 -14.111 -0.007) 17.863 3.665 ( -10.953 14.111 -0.007) 17.863 4.450 ( -0.419 -5.049 -1.611) 5.317 4.450 ( -0.419 5.049 -1.611) 5.317 5.063 ( -2.133 -2.848 4.787) 5.964 5.063 ( -2.133 2.848 4.787) 5.964 6.353 ( -0.738 -4.180 -0.357) 4.260 6.353 ( -0.738 4.180 -0.357) 4.260 6.919 ( -3.233 -8.507 -8.185) 12.240 6.919 ( -3.233 8.507 -8.185) 12.240 7.690 ( 2.016 -3.667 -0.361) 4.200 7.690 ( 2.016 3.667 -0.361) 4.200 8.354 ( -4.571 -8.766 -3.338) 10.434 8.354 ( -4.571 8.766 -3.338) 10.434 8.939 ( -6.207 -4.502 -2.483) 8.060 8.939 ( -6.207 4.502 -2.483) 8.060 9.271 ( -2.428 -10.079 8.152) 13.189 9.271 ( -2.428 10.079 8.152) 13.189 10.281 ( 4.691 -6.965 6.163) 10.416 10.281 ( 4.691 6.965 6.163) 10.416 10.769 ( 2.652 -8.467 -3.273) 9.457 10.769 ( 2.652 8.467 -3.273) 9.457 11.323 ( 18.358 -16.945 2.539) 25.111 11.323 ( 18.358 16.945 2.539) 25.111 11.908 ( 5.047 -7.466 1.816) 9.193 11.908 ( 5.047 7.466 1.816) 9.193 12.238 ( 2.174 -6.466 0.776) 6.866 12.238 ( 2.174 6.466 0.776) 6.866 12.567 ( -10.453 -5.571 -5.674) 13.134 12.567 ( -10.453 5.571 -5.674) 13.134 13.788 ( -1.618 -3.774 -4.523) 6.109 13.788 ( -1.618 3.774 -4.523) 6.109 14.553 ( 0.873 -1.853 1.185) 2.366 14.553 ( 0.873 1.853 1.185) 2.366 16.127 ( 2.583 -6.079 -0.032) 6.605 16.127 ( 2.583 6.079 -0.032) 6.605 17.223 ( 7.241 -1.951 2.822) 8.013 17.223 ( 7.241 1.951 2.822) 8.013 18.294 ( -0.570 -1.630 1.878) 2.551 18.294 ( -0.570 1.630 1.878) 2.551 18.972 ( -8.986 -4.231 -5.848) 11.526 18.972 ( -8.986 4.231 -5.848) 11.526 =================== 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 3/31104 10.0 924.662 839.641 999.232 0.000 0.143 0.000 3/31104 20.0 568.396 510.049 489.633 0.000 -31.618 0.000 3/31104 30.0 283.402 257.746 245.291 0.000 -19.530 0.000 3/31104 40.0 173.905 155.007 147.418 0.000 -11.922 0.000 3/31104 50.0 120.136 105.027 99.825 0.000 -8.032 0.000 3/31104 60.0 88.477 76.218 72.335 0.000 -5.795 0.000 3/31104 70.0 67.931 57.878 54.919 0.000 -4.395 0.000 3/31104 80.0 53.840 45.486 43.250 0.000 -3.467 0.000 3/31104 90.0 43.811 36.763 35.099 0.000 -2.823 0.000 3/31104 100.0 36.464 30.427 29.206 0.000 -2.359 0.000 3/31104 110.0 30.946 25.703 24.820 0.000 -2.013 0.000 3/31104 120.0 26.710 22.100 21.470 0.000 -1.747 0.000 3/31104 130.0 23.393 19.295 18.853 0.000 -1.539 0.000 3/31104 140.0 20.748 17.070 16.767 0.000 -1.372 0.000 3/31104 150.0 18.604 15.275 15.076 0.000 -1.236 0.000 3/31104 160.0 16.841 13.805 13.682 0.000 -1.123 0.000 3/31104 170.0 15.372 12.585 12.518 0.000 -1.028 0.000 3/31104 180.0 14.132 11.558 11.534 0.000 -0.948 0.000 3/31104 190.0 13.074 10.685 10.692 0.000 -0.879 0.000 3/31104 200.0 12.163 9.934 9.965 0.000 -0.819 0.000 3/31104 210.0 11.371 9.283 9.331 0.000 -0.766 0.000 3/31104 220.0 10.676 8.713 8.774 0.000 -0.720 0.000 3/31104 230.0 10.063 8.211 8.281 0.000 -0.680 0.000 3/31104 240.0 9.518 7.765 7.841 0.000 -0.643 0.000 3/31104 250.0 9.030 7.366 7.448 0.000 -0.611 0.000 3/31104 260.0 8.592 7.007 7.093 0.000 -0.581 0.000 3/31104 270.0 8.195 6.683 6.771 0.000 -0.554 0.000 3/31104 280.0 7.834 6.389 6.478 0.000 -0.530 0.000 3/31104 290.0 7.505 6.121 6.211 0.000 -0.508 0.000 3/31104 300.0 7.204 5.875 5.965 0.000 -0.487 0.000 3/31104 310.0 6.927 5.649 5.739 0.000 -0.469 0.000 3/31104 320.0 6.671 5.440 5.530 0.000 -0.451 0.000 3/31104 330.0 6.434 5.247 5.336 0.000 -0.435 0.000 3/31104 340.0 6.214 5.068 5.156 0.000 -0.420 0.000 3/31104 350.0 6.009 4.901 4.988 0.000 -0.407 0.000 3/31104 360.0 5.818 4.745 4.831 0.000 -0.394 0.000 3/31104 370.0 5.639 4.599 4.684 0.000 -0.381 0.000 3/31104 380.0 5.471 4.463 4.546 0.000 -0.370 0.000 3/31104 390.0 5.313 4.334 4.416 0.000 -0.359 0.000 3/31104 400.0 5.165 4.213 4.294 0.000 -0.349 0.000 3/31104 410.0 5.024 4.099 4.178 0.000 -0.340 0.000 3/31104 420.0 4.892 3.991 4.069 0.000 -0.331 0.000 3/31104 430.0 4.767 3.889 3.966 0.000 -0.322 0.000 3/31104 440.0 4.648 3.792 3.867 0.000 -0.314 0.000 3/31104 450.0 4.535 3.700 3.774 0.000 -0.306 0.000 3/31104 460.0 4.427 3.612 3.685 0.000 -0.299 0.000 3/31104 470.0 4.325 3.529 3.601 0.000 -0.292 0.000 3/31104 480.0 4.228 3.449 3.520 0.000 -0.285 0.000 3/31104 490.0 4.135 3.373 3.443 0.000 -0.279 0.000 3/31104 500.0 4.046 3.301 3.370 0.000 -0.273 0.000 3/31104 510.0 3.961 3.232 3.299 0.000 -0.267 0.000 3/31104 520.0 3.879 3.165 3.232 0.000 -0.262 0.000 3/31104 530.0 3.801 3.102 3.167 0.000 -0.256 0.000 3/31104 540.0 3.726 3.041 3.105 0.000 -0.251 0.000 3/31104 550.0 3.654 2.982 3.045 0.000 -0.246 0.000 3/31104 560.0 3.585 2.926 2.988 0.000 -0.242 0.000 3/31104 570.0 3.519 2.871 2.933 0.000 -0.237 0.000 3/31104 580.0 3.455 2.819 2.880 0.000 -0.233 0.000 3/31104 590.0 3.393 2.769 2.829 0.000 -0.229 0.000 3/31104 600.0 3.334 2.720 2.779 0.000 -0.225 0.000 3/31104 610.0 3.276 2.674 2.732 0.000 -0.221 0.000 3/31104 620.0 3.221 2.628 2.686 0.000 -0.217 0.000 3/31104 630.0 3.168 2.585 2.641 0.000 -0.213 0.000 3/31104 640.0 3.116 2.543 2.598 0.000 -0.210 0.000 3/31104 650.0 3.066 2.502 2.557 0.000 -0.207 0.000 3/31104 660.0 3.018 2.462 2.517 0.000 -0.203 0.000 3/31104 670.0 2.971 2.424 2.478 0.000 -0.200 0.000 3/31104 680.0 2.925 2.387 2.440 0.000 -0.197 0.000 3/31104 690.0 2.881 2.351 2.403 0.000 -0.194 0.000 3/31104 700.0 2.839 2.317 2.368 0.000 -0.191 0.000 3/31104 710.0 2.797 2.283 2.333 0.000 -0.188 0.000 3/31104 720.0 2.757 2.250 2.300 0.000 -0.186 0.000 3/31104 730.0 2.718 2.218 2.267 0.000 -0.183 0.000 3/31104 740.0 2.680 2.187 2.236 0.000 -0.180 0.000 3/31104 750.0 2.643 2.157 2.205 0.000 -0.178 0.000 3/31104 760.0 2.607 2.128 2.175 0.000 -0.175 0.000 3/31104 770.0 2.573 2.099 2.146 0.000 -0.173 0.000 3/31104 780.0 2.539 2.072 2.118 0.000 -0.171 0.000 3/31104 790.0 2.506 2.045 2.091 0.000 -0.169 0.000 3/31104 800.0 2.474 2.019 2.064 0.000 -0.166 0.000 3/31104 810.0 2.442 1.993 2.038 0.000 -0.164 0.000 3/31104 820.0 2.412 1.968 2.012 0.000 -0.162 0.000 3/31104 830.0 2.382 1.944 1.988 0.000 -0.160 0.000 3/31104 840.0 2.353 1.920 1.963 0.000 -0.158 0.000 3/31104 850.0 2.325 1.897 1.940 0.000 -0.156 0.000 3/31104 860.0 2.297 1.874 1.917 0.000 -0.154 0.000 3/31104 870.0 2.270 1.852 1.894 0.000 -0.153 0.000 3/31104 880.0 2.244 1.831 1.872 0.000 -0.151 0.000 3/31104 890.0 2.218 1.810 1.851 0.000 -0.149 0.000 3/31104 900.0 2.193 1.789 1.830 0.000 -0.147 0.000 3/31104 910.0 2.168 1.769 1.809 0.000 -0.146 0.000 3/31104 920.0 2.144 1.750 1.789 0.000 -0.144 0.000 3/31104 930.0 2.121 1.731 1.770 0.000 -0.143 0.000 3/31104 940.0 2.098 1.712 1.751 0.000 -0.141 0.000 3/31104 950.0 2.075 1.693 1.732 0.000 -0.139 0.000 3/31104 960.0 2.053 1.675 1.714 0.000 -0.138 0.000 3/31104 970.0 2.032 1.658 1.696 0.000 -0.137 0.000 3/31104 980.0 2.010 1.641 1.678 0.000 -0.135 0.000 3/31104 990.0 1.990 1.624 1.661 0.000 -0.134 0.000 3/31104 1000.0 1.970 1.607 1.644 0.000 -0.132 0.000 3/31104 Thermal conductivity related properties were written into "kappa-m989.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:04:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|