----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:20:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.928707949999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.144044939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522909810000000 Atomic positions (fractional): *1 O 0.18872693267489 0.75000000000000 0.95075857581604 15.999 2 O 0.81127306732511 0.25000000000000 0.04924142418396 15.999 3 O 0.31127306732511 0.25000000000000 0.45075857581604 15.999 4 O 0.68872693267489 0.75000000000000 0.54924142418396 15.999 *5 O 0.22847493714124 0.95876759925636 0.15929526266292 15.999 6 O 0.77152506285876 0.45876759925636 0.84070473733708 15.999 7 O 0.72847493714124 0.54123240074364 0.34070473733708 15.999 8 O 0.27152506285876 0.04123240074364 0.65929526266292 15.999 9 O 0.77152506285876 0.04123240074364 0.84070473733708 15.999 10 O 0.22847493714124 0.54123240074364 0.15929526266292 15.999 11 O 0.27152506285876 0.45876759925636 0.65929526266292 15.999 12 O 0.72847493714124 0.95876759925636 0.34070473733708 15.999 *13 F 0.96582184336576 0.75000000000000 0.43616968857662 18.998 14 F 0.03417815663424 0.25000000000000 0.56383031142338 18.998 15 F 0.53417815663424 0.25000000000000 0.93616968857662 18.998 16 F 0.46582184336576 0.75000000000000 0.06383031142338 18.998 *17 P 0.74184983977048 0.25000000000000 0.91445600846423 30.974 18 P 0.25815016022952 0.75000000000000 0.08554399153577 30.974 19 P 0.24184983977048 0.25000000000000 0.58554399153577 30.974 20 P 0.75815016022952 0.75000000000000 0.41445600846423 30.974 *21 Rb 0.67242102612669 0.25000000000000 0.57768330563427 85.468 22 Rb 0.32757897387330 0.75000000000000 0.42231669436573 85.468 23 Rb 0.17242102612669 0.25000000000000 0.92231669436573 85.468 24 Rb 0.82757897387331 0.75000000000000 0.07768330563427 85.468 *25 Rb 0.50611070062582 0.25000000000000 0.21668739538830 85.468 26 Rb 0.49388929937418 0.75000000000000 0.78331260461170 85.468 27 Rb 0.00611070062582 0.25000000000000 0.28331260461170 85.468 28 Rb 0.99388929937418 0.75000000000000 0.71668739538830 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.928707949999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.144044939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522909810000000 Atomic positions (fractional): *1 O 0.18872693267489 0.75000000000000 0.95075857581604 15.999 > 1 2 O 0.81127306732511 0.25000000000000 0.04924142418396 15.999 > 2 3 O 0.31127306732511 0.25000000000000 0.45075857581604 15.999 > 3 4 O 0.68872693267489 0.75000000000000 0.54924142418396 15.999 > 4 *5 O 0.22847493714124 0.95876759925636 0.15929526266292 15.999 > 5 6 O 0.77152506285876 0.45876759925636 0.84070473733708 15.999 > 6 7 O 0.72847493714124 0.54123240074364 0.34070473733708 15.999 > 7 8 O 0.27152506285876 0.04123240074364 0.65929526266292 15.999 > 8 9 O 0.77152506285876 0.04123240074364 0.84070473733708 15.999 > 9 10 O 0.22847493714124 0.54123240074364 0.15929526266292 15.999 > 10 11 O 0.27152506285876 0.45876759925636 0.65929526266292 15.999 > 11 12 O 0.72847493714124 0.95876759925636 0.34070473733708 15.999 > 12 *13 F 0.96582184336576 0.75000000000000 0.43616968857662 18.998 > 13 14 F 0.03417815663424 0.25000000000000 0.56383031142338 18.998 > 14 15 F 0.53417815663424 0.25000000000000 0.93616968857662 18.998 > 15 16 F 0.46582184336576 0.75000000000000 0.06383031142338 18.998 > 16 *17 P 0.74184983977048 0.25000000000000 0.91445600846423 30.974 > 17 18 P 0.25815016022952 0.75000000000000 0.08554399153577 30.974 > 18 19 P 0.24184983977048 0.25000000000000 0.58554399153577 30.974 > 19 20 P 0.75815016022952 0.75000000000000 0.41445600846423 30.974 > 20 *21 Rb 0.67242102612669 0.25000000000000 0.57768330563427 85.468 > 21 22 Rb 0.32757897387330 0.75000000000000 0.42231669436573 85.468 > 22 23 Rb 0.17242102612669 0.25000000000000 0.92231669436573 85.468 > 23 24 Rb 0.82757897387331 0.75000000000000 0.07768330563427 85.468 > 24 *25 Rb 0.50611070062582 0.25000000000000 0.21668739538830 85.468 > 25 26 Rb 0.49388929937418 0.75000000000000 0.78331260461170 85.468 > 26 27 Rb 0.00611070062582 0.25000000000000 0.28331260461170 85.468 > 27 28 Rb 0.99388929937418 0.75000000000000 0.71668739538830 85.468 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.857415899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.288089879999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522909810000000 Atomic positions (fractional): *1 O 0.09436346633745 0.37500000000000 0.95075857581604 15.999 > 1 2 O 0.59436346633745 0.37500000000000 0.95075857581604 15.999 > 1 3 O 0.09436346633745 0.87500000000000 0.95075857581604 15.999 > 1 4 O 0.59436346633745 0.87500000000000 0.95075857581604 15.999 > 1 5 O 0.40563653366255 0.12500000000000 0.04924142418396 15.999 > 2 6 O 0.90563653366255 0.12500000000000 0.04924142418396 15.999 > 2 7 O 0.40563653366255 0.62500000000000 0.04924142418396 15.999 > 2 8 O 0.90563653366255 0.62500000000000 0.04924142418396 15.999 > 2 9 O 0.15563653366255 0.12500000000000 0.45075857581604 15.999 > 3 10 O 0.65563653366255 0.12500000000000 0.45075857581604 15.999 > 3 11 O 0.15563653366255 0.62500000000000 0.45075857581604 15.999 > 3 12 O 0.65563653366255 0.62500000000000 0.45075857581604 15.999 > 3 13 O 0.34436346633745 0.37500000000000 0.54924142418396 15.999 > 4 14 O 0.84436346633745 0.37500000000000 0.54924142418396 15.999 > 4 15 O 0.34436346633745 0.87500000000000 0.54924142418396 15.999 > 4 16 O 0.84436346633745 0.87500000000000 0.54924142418396 15.999 > 4 *17 O 0.11423746857062 0.47938379962818 0.15929526266292 15.999 > 5 18 O 0.61423746857062 0.47938379962818 0.15929526266292 15.999 > 5 19 O 0.11423746857062 0.97938379962818 0.15929526266292 15.999 > 5 20 O 0.61423746857062 0.97938379962818 0.15929526266292 15.999 > 5 21 O 0.38576253142938 0.22938379962818 0.84070473733708 15.999 > 6 22 O 0.88576253142938 0.22938379962818 0.84070473733708 15.999 > 6 23 O 0.38576253142938 0.72938379962818 0.84070473733708 15.999 > 6 24 O 0.88576253142938 0.72938379962818 0.84070473733708 15.999 > 6 25 O 0.36423746857062 0.27061620037182 0.34070473733708 15.999 > 7 26 O 0.86423746857062 0.27061620037182 0.34070473733708 15.999 > 7 27 O 0.36423746857062 0.77061620037182 0.34070473733708 15.999 > 7 28 O 0.86423746857062 0.77061620037182 0.34070473733708 15.999 > 7 29 O 0.13576253142938 0.02061620037182 0.65929526266292 15.999 > 8 30 O 0.63576253142938 0.02061620037182 0.65929526266292 15.999 > 8 31 O 0.13576253142938 0.52061620037182 0.65929526266292 15.999 > 8 32 O 0.63576253142938 0.52061620037182 0.65929526266292 15.999 > 8 33 O 0.38576253142938 0.02061620037182 0.84070473733708 15.999 > 9 34 O 0.88576253142938 0.02061620037182 0.84070473733708 15.999 > 9 35 O 0.38576253142938 0.52061620037182 0.84070473733708 15.999 > 9 36 O 0.88576253142938 0.52061620037182 0.84070473733708 15.999 > 9 37 O 0.11423746857062 0.27061620037182 0.15929526266292 15.999 > 10 38 O 0.61423746857062 0.27061620037182 0.15929526266292 15.999 > 10 39 O 0.11423746857062 0.77061620037182 0.15929526266292 15.999 > 10 40 O 0.61423746857062 0.77061620037182 0.15929526266292 15.999 > 10 41 O 0.13576253142938 0.22938379962818 0.65929526266292 15.999 > 11 42 O 0.63576253142938 0.22938379962818 0.65929526266292 15.999 > 11 43 O 0.13576253142938 0.72938379962818 0.65929526266292 15.999 > 11 44 O 0.63576253142938 0.72938379962818 0.65929526266292 15.999 > 11 45 O 0.36423746857062 0.47938379962818 0.34070473733708 15.999 > 12 46 O 0.86423746857062 0.47938379962818 0.34070473733708 15.999 > 12 47 O 0.36423746857062 0.97938379962818 0.34070473733708 15.999 > 12 48 O 0.86423746857062 0.97938379962818 0.34070473733708 15.999 > 12 *49 F 0.48291092168288 0.37500000000000 0.43616968857662 18.998 > 13 50 F 0.98291092168288 0.37500000000000 0.43616968857662 18.998 > 13 51 F 0.48291092168288 0.87500000000000 0.43616968857662 18.998 > 13 52 F 0.98291092168288 0.87500000000000 0.43616968857662 18.998 > 13 53 F 0.01708907831712 0.12500000000000 0.56383031142338 18.998 > 14 54 F 0.51708907831712 0.12500000000000 0.56383031142338 18.998 > 14 55 F 0.01708907831712 0.62500000000000 0.56383031142338 18.998 > 14 56 F 0.51708907831712 0.62500000000000 0.56383031142338 18.998 > 14 57 F 0.26708907831712 0.12500000000000 0.93616968857662 18.998 > 15 58 F 0.76708907831712 0.12500000000000 0.93616968857662 18.998 > 15 59 F 0.26708907831712 0.62500000000000 0.93616968857662 18.998 > 15 60 F 0.76708907831712 0.62500000000000 0.93616968857662 18.998 > 15 61 F 0.23291092168288 0.37500000000000 0.06383031142338 18.998 > 16 62 F 0.73291092168288 0.37500000000000 0.06383031142338 18.998 > 16 63 F 0.23291092168288 0.87500000000000 0.06383031142338 18.998 > 16 64 F 0.73291092168288 0.87500000000000 0.06383031142338 18.998 > 16 *65 P 0.37092491988524 0.12500000000000 0.91445600846423 30.974 > 17 66 P 0.87092491988524 0.12500000000000 0.91445600846423 30.974 > 17 67 P 0.37092491988524 0.62500000000000 0.91445600846423 30.974 > 17 68 P 0.87092491988524 0.62500000000000 0.91445600846423 30.974 > 17 69 P 0.12907508011476 0.37500000000000 0.08554399153577 30.974 > 18 70 P 0.62907508011476 0.37500000000000 0.08554399153577 30.974 > 18 71 P 0.12907508011476 0.87500000000000 0.08554399153577 30.974 > 18 72 P 0.62907508011476 0.87500000000000 0.08554399153577 30.974 > 18 73 P 0.12092491988524 0.12500000000000 0.58554399153577 30.974 > 19 74 P 0.62092491988524 0.12500000000000 0.58554399153577 30.974 > 19 75 P 0.12092491988524 0.62500000000000 0.58554399153577 30.974 > 19 76 P 0.62092491988524 0.62500000000000 0.58554399153577 30.974 > 19 77 P 0.37907508011476 0.37500000000000 0.41445600846423 30.974 > 20 78 P 0.87907508011476 0.37500000000000 0.41445600846423 30.974 > 20 79 P 0.37907508011476 0.87500000000000 0.41445600846423 30.974 > 20 80 P 0.87907508011476 0.87500000000000 0.41445600846423 30.974 > 20 *81 Rb 0.33621051306335 0.12500000000000 0.57768330563427 85.468 > 21 82 Rb 0.83621051306335 0.12500000000000 0.57768330563427 85.468 > 21 83 Rb 0.33621051306335 0.62500000000000 0.57768330563427 85.468 > 21 84 Rb 0.83621051306335 0.62500000000000 0.57768330563427 85.468 > 21 85 Rb 0.16378948693665 0.37500000000000 0.42231669436573 85.468 > 22 86 Rb 0.66378948693665 0.37500000000000 0.42231669436573 85.468 > 22 87 Rb 0.16378948693665 0.87500000000000 0.42231669436573 85.468 > 22 88 Rb 0.66378948693665 0.87500000000000 0.42231669436573 85.468 > 22 89 Rb 0.08621051306335 0.12500000000000 0.92231669436573 85.468 > 23 90 Rb 0.58621051306335 0.12500000000000 0.92231669436573 85.468 > 23 91 Rb 0.08621051306335 0.62500000000000 0.92231669436573 85.468 > 23 92 Rb 0.58621051306335 0.62500000000000 0.92231669436573 85.468 > 23 93 Rb 0.41378948693665 0.37500000000000 0.07768330563427 85.468 > 24 94 Rb 0.91378948693665 0.37500000000000 0.07768330563427 85.468 > 24 95 Rb 0.41378948693665 0.87500000000000 0.07768330563427 85.468 > 24 96 Rb 0.91378948693665 0.87500000000000 0.07768330563427 85.468 > 24 *97 Rb 0.25305535031291 0.12500000000000 0.21668739538830 85.468 > 25 98 Rb 0.75305535031291 0.12500000000000 0.21668739538830 85.468 > 25 99 Rb 0.25305535031291 0.62500000000000 0.21668739538830 85.468 > 25 100 Rb 0.75305535031291 0.62500000000000 0.21668739538830 85.468 > 25 101 Rb 0.24694464968709 0.37500000000000 0.78331260461170 85.468 > 26 102 Rb 0.74694464968709 0.37500000000000 0.78331260461170 85.468 > 26 103 Rb 0.24694464968709 0.87500000000000 0.78331260461170 85.468 > 26 104 Rb 0.74694464968709 0.87500000000000 0.78331260461170 85.468 > 26 105 Rb 0.00305535031291 0.12500000000000 0.28331260461170 85.468 > 27 106 Rb 0.50305535031291 0.12500000000000 0.28331260461170 85.468 > 27 107 Rb 0.00305535031291 0.62500000000000 0.28331260461170 85.468 > 27 108 Rb 0.50305535031291 0.62500000000000 0.28331260461170 85.468 > 27 109 Rb 0.49694464968709 0.37500000000000 0.71668739538830 85.468 > 28 110 Rb 0.99694464968709 0.37500000000000 0.71668739538830 85.468 > 28 111 Rb 0.49694464968709 0.87500000000000 0.71668739538830 85.468 > 28 112 Rb 0.99694464968709 0.87500000000000 0.71668739538830 85.468 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2831583 0.0000000 0.0000000 0.0000000 2.3699037 0.0000000 0.0000000 0.0000000 2.3567230 -------------------------- Born effective charges -------------------------- 1 O -1.1532528 0.0000000 -0.3009965 0.0000000 -1.2279329 0.0000000 -0.2104450 0.0000000 -1.9359740 2 O -1.1532528 0.0000000 -0.3009965 0.0000000 -1.2279329 0.0000000 -0.2104450 0.0000000 -1.9359740 3 O -1.1532528 0.0000000 0.3009965 0.0000000 -1.2279329 0.0000000 0.2104450 0.0000000 -1.9359740 4 O -1.1532528 0.0000000 0.3009965 0.0000000 -1.2279329 0.0000000 0.2104450 0.0000000 -1.9359740 5 O -1.0526752 0.1219659 0.0362388 0.0591298 -1.8462253 -0.3748588 -0.0343841 -0.3757632 -1.4125297 6 O -1.0526752 -0.1219659 0.0362388 -0.0591298 -1.8462253 0.3748588 -0.0343841 0.3757632 -1.4125297 7 O -1.0526752 -0.1219659 -0.0362388 -0.0591298 -1.8462253 -0.3748588 0.0343841 -0.3757632 -1.4125297 8 O -1.0526752 0.1219659 -0.0362388 0.0591298 -1.8462253 0.3748588 0.0343841 0.3757632 -1.4125297 9 O -1.0526752 0.1219659 0.0362388 0.0591298 -1.8462253 -0.3748588 -0.0343841 -0.3757632 -1.4125297 10 O -1.0526752 -0.1219659 0.0362388 -0.0591298 -1.8462253 0.3748588 -0.0343841 0.3757632 -1.4125297 11 O -1.0526752 -0.1219659 -0.0362388 -0.0591298 -1.8462253 -0.3748588 0.0343841 -0.3757632 -1.4125297 12 O -1.0526752 0.1219659 -0.0362388 0.0591298 -1.8462253 0.3748588 0.0343841 0.3757632 -1.4125297 13 F -1.8114630 0.0000000 -0.1708860 0.0000000 -0.6185463 0.0000000 -0.1719970 0.0000000 -0.6971637 14 F -1.8114630 0.0000000 -0.1708860 0.0000000 -0.6185463 0.0000000 -0.1719970 0.0000000 -0.6971637 15 F -1.8114630 0.0000000 0.1708860 0.0000000 -0.6185463 0.0000000 0.1719970 0.0000000 -0.6971637 16 F -1.8114630 0.0000000 0.1708860 0.0000000 -0.6185463 0.0000000 0.1719970 0.0000000 -0.6971637 17 P 2.5473942 0.0000000 0.0583746 0.0000000 3.0355741 0.0000000 0.0597264 0.0000000 2.9442134 18 P 2.5473942 0.0000000 0.0583746 0.0000000 3.0355741 0.0000000 0.0597264 0.0000000 2.9442134 19 P 2.5473942 0.0000000 -0.0583746 0.0000000 3.0355741 0.0000000 -0.0597264 0.0000000 2.9442134 20 P 2.5473942 0.0000000 -0.0583746 0.0000000 3.0355741 0.0000000 -0.0597264 0.0000000 2.9442134 21 Rb 1.1942556 0.0000000 0.0422956 0.0000000 1.2712363 0.0000000 0.0487534 0.0000000 1.2327414 22 Rb 1.1942556 0.0000000 0.0422956 0.0000000 1.2712363 0.0000000 0.0487534 0.0000000 1.2327414 23 Rb 1.1942556 0.0000000 -0.0422956 0.0000000 1.2712363 0.0000000 -0.0487534 0.0000000 1.2327414 24 Rb 1.1942556 0.0000000 -0.0422956 0.0000000 1.2712363 0.0000000 -0.0487534 0.0000000 1.2327414 25 Rb 1.3284165 0.0000000 -0.0045783 0.0000000 1.2321194 0.0000000 0.0344853 0.0000000 1.2812422 26 Rb 1.3284165 0.0000000 -0.0045783 0.0000000 1.2321194 0.0000000 0.0344853 0.0000000 1.2812422 27 Rb 1.3284165 0.0000000 0.0045783 0.0000000 1.2321194 0.0000000 -0.0344853 0.0000000 1.2812422 28 Rb 1.3284165 0.0000000 0.0045783 0.0000000 1.2321194 0.0000000 -0.0344853 0.0000000 1.2812422 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.021 Solver_block: 200 / 480 - Time: 3.037 Solver_block: 300 / 480 - Time: 3.038 Solver_block: 400 / 480 - Time: 3.034 Solver_block: 480 / 480 - Time: 2.461 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.639 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 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: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:20:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:20:39]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.928707949999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.144044939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522909810000000 Atomic positions (fractional): 1 O 0.18872693267489 0.75000000000000 0.95075857581604 15.999 2 O 0.81127306732511 0.25000000000000 0.04924142418396 15.999 3 O 0.31127306732511 0.25000000000000 0.45075857581604 15.999 4 O 0.68872693267489 0.75000000000000 0.54924142418396 15.999 5 O 0.22847493714124 0.95876759925636 0.15929526266292 15.999 6 O 0.77152506285876 0.45876759925636 0.84070473733708 15.999 7 O 0.72847493714124 0.54123240074364 0.34070473733708 15.999 8 O 0.27152506285876 0.04123240074364 0.65929526266292 15.999 9 O 0.77152506285876 0.04123240074364 0.84070473733708 15.999 10 O 0.22847493714124 0.54123240074364 0.15929526266292 15.999 11 O 0.27152506285876 0.45876759925636 0.65929526266292 15.999 12 O 0.72847493714124 0.95876759925636 0.34070473733708 15.999 13 F 0.96582184336576 0.75000000000000 0.43616968857662 18.998 14 F 0.03417815663424 0.25000000000000 0.56383031142338 18.998 15 F 0.53417815663424 0.25000000000000 0.93616968857662 18.998 16 F 0.46582184336576 0.75000000000000 0.06383031142338 18.998 17 P 0.74184983977048 0.25000000000000 0.91445600846423 30.974 18 P 0.25815016022952 0.75000000000000 0.08554399153577 30.974 19 P 0.24184983977048 0.25000000000000 0.58554399153577 30.974 20 P 0.75815016022952 0.75000000000000 0.41445600846423 30.974 21 Rb 0.67242102612669 0.25000000000000 0.57768330563427 85.468 22 Rb 0.32757897387330 0.75000000000000 0.42231669436573 85.468 23 Rb 0.17242102612669 0.25000000000000 0.92231669436573 85.468 24 Rb 0.82757897387331 0.75000000000000 0.07768330563427 85.468 25 Rb 0.50611070062582 0.25000000000000 0.21668739538830 85.468 26 Rb 0.49388929937418 0.75000000000000 0.78331260461170 85.468 27 Rb 0.00611070062582 0.25000000000000 0.28331260461170 85.468 28 Rb 0.99388929937418 0.75000000000000 0.71668739538830 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.857415899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.288089879999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522909810000000 Atomic positions (fractional): 1 O 0.09436346633745 0.37500000000000 0.95075857581604 15.999 > 1 2 O 0.59436346633745 0.37500000000000 0.95075857581604 15.999 > 1 3 O 0.09436346633745 0.87500000000000 0.95075857581604 15.999 > 1 4 O 0.59436346633745 0.87500000000000 0.95075857581604 15.999 > 1 5 O 0.40563653366255 0.12500000000000 0.04924142418396 15.999 > 5 6 O 0.90563653366255 0.12500000000000 0.04924142418396 15.999 > 5 7 O 0.40563653366255 0.62500000000000 0.04924142418396 15.999 > 5 8 O 0.90563653366255 0.62500000000000 0.04924142418396 15.999 > 5 9 O 0.15563653366255 0.12500000000000 0.45075857581604 15.999 > 9 10 O 0.65563653366255 0.12500000000000 0.45075857581604 15.999 > 9 11 O 0.15563653366255 0.62500000000000 0.45075857581604 15.999 > 9 12 O 0.65563653366255 0.62500000000000 0.45075857581604 15.999 > 9 13 O 0.34436346633745 0.37500000000000 0.54924142418396 15.999 > 13 14 O 0.84436346633745 0.37500000000000 0.54924142418396 15.999 > 13 15 O 0.34436346633745 0.87500000000000 0.54924142418396 15.999 > 13 16 O 0.84436346633745 0.87500000000000 0.54924142418396 15.999 > 13 17 O 0.11423746857062 0.47938379962818 0.15929526266292 15.999 > 17 18 O 0.61423746857062 0.47938379962818 0.15929526266292 15.999 > 17 19 O 0.11423746857062 0.97938379962818 0.15929526266292 15.999 > 17 20 O 0.61423746857062 0.97938379962818 0.15929526266292 15.999 > 17 21 O 0.38576253142938 0.22938379962818 0.84070473733708 15.999 > 21 22 O 0.88576253142938 0.22938379962818 0.84070473733708 15.999 > 21 23 O 0.38576253142938 0.72938379962818 0.84070473733708 15.999 > 21 24 O 0.88576253142938 0.72938379962818 0.84070473733708 15.999 > 21 25 O 0.36423746857062 0.27061620037182 0.34070473733708 15.999 > 25 26 O 0.86423746857062 0.27061620037182 0.34070473733708 15.999 > 25 27 O 0.36423746857062 0.77061620037182 0.34070473733708 15.999 > 25 28 O 0.86423746857062 0.77061620037182 0.34070473733708 15.999 > 25 29 O 0.13576253142938 0.02061620037182 0.65929526266292 15.999 > 29 30 O 0.63576253142938 0.02061620037182 0.65929526266292 15.999 > 29 31 O 0.13576253142938 0.52061620037182 0.65929526266292 15.999 > 29 32 O 0.63576253142938 0.52061620037182 0.65929526266292 15.999 > 29 33 O 0.38576253142938 0.02061620037182 0.84070473733708 15.999 > 33 34 O 0.88576253142938 0.02061620037182 0.84070473733708 15.999 > 33 35 O 0.38576253142938 0.52061620037182 0.84070473733708 15.999 > 33 36 O 0.88576253142938 0.52061620037182 0.84070473733708 15.999 > 33 37 O 0.11423746857062 0.27061620037182 0.15929526266292 15.999 > 37 38 O 0.61423746857062 0.27061620037182 0.15929526266292 15.999 > 37 39 O 0.11423746857062 0.77061620037182 0.15929526266292 15.999 > 37 40 O 0.61423746857062 0.77061620037182 0.15929526266292 15.999 > 37 41 O 0.13576253142938 0.22938379962818 0.65929526266292 15.999 > 41 42 O 0.63576253142938 0.22938379962818 0.65929526266292 15.999 > 41 43 O 0.13576253142938 0.72938379962818 0.65929526266292 15.999 > 41 44 O 0.63576253142938 0.72938379962818 0.65929526266292 15.999 > 41 45 O 0.36423746857062 0.47938379962818 0.34070473733708 15.999 > 45 46 O 0.86423746857062 0.47938379962818 0.34070473733708 15.999 > 45 47 O 0.36423746857062 0.97938379962818 0.34070473733708 15.999 > 45 48 O 0.86423746857062 0.97938379962818 0.34070473733708 15.999 > 45 49 F 0.48291092168288 0.37500000000000 0.43616968857662 18.998 > 49 50 F 0.98291092168288 0.37500000000000 0.43616968857662 18.998 > 49 51 F 0.48291092168288 0.87500000000000 0.43616968857662 18.998 > 49 52 F 0.98291092168288 0.87500000000000 0.43616968857662 18.998 > 49 53 F 0.01708907831712 0.12500000000000 0.56383031142338 18.998 > 53 54 F 0.51708907831712 0.12500000000000 0.56383031142338 18.998 > 53 55 F 0.01708907831712 0.62500000000000 0.56383031142338 18.998 > 53 56 F 0.51708907831712 0.62500000000000 0.56383031142338 18.998 > 53 57 F 0.26708907831712 0.12500000000000 0.93616968857662 18.998 > 57 58 F 0.76708907831712 0.12500000000000 0.93616968857662 18.998 > 57 59 F 0.26708907831712 0.62500000000000 0.93616968857662 18.998 > 57 60 F 0.76708907831712 0.62500000000000 0.93616968857662 18.998 > 57 61 F 0.23291092168288 0.37500000000000 0.06383031142338 18.998 > 61 62 F 0.73291092168288 0.37500000000000 0.06383031142338 18.998 > 61 63 F 0.23291092168288 0.87500000000000 0.06383031142338 18.998 > 61 64 F 0.73291092168288 0.87500000000000 0.06383031142338 18.998 > 61 65 P 0.37092491988524 0.12500000000000 0.91445600846423 30.974 > 65 66 P 0.87092491988524 0.12500000000000 0.91445600846423 30.974 > 65 67 P 0.37092491988524 0.62500000000000 0.91445600846423 30.974 > 65 68 P 0.87092491988524 0.62500000000000 0.91445600846423 30.974 > 65 69 P 0.12907508011476 0.37500000000000 0.08554399153577 30.974 > 69 70 P 0.62907508011476 0.37500000000000 0.08554399153577 30.974 > 69 71 P 0.12907508011476 0.87500000000000 0.08554399153577 30.974 > 69 72 P 0.62907508011476 0.87500000000000 0.08554399153577 30.974 > 69 73 P 0.12092491988524 0.12500000000000 0.58554399153577 30.974 > 73 74 P 0.62092491988524 0.12500000000000 0.58554399153577 30.974 > 73 75 P 0.12092491988524 0.62500000000000 0.58554399153577 30.974 > 73 76 P 0.62092491988524 0.62500000000000 0.58554399153577 30.974 > 73 77 P 0.37907508011476 0.37500000000000 0.41445600846423 30.974 > 77 78 P 0.87907508011476 0.37500000000000 0.41445600846423 30.974 > 77 79 P 0.37907508011476 0.87500000000000 0.41445600846423 30.974 > 77 80 P 0.87907508011476 0.87500000000000 0.41445600846423 30.974 > 77 81 Rb 0.33621051306335 0.12500000000000 0.57768330563427 85.468 > 81 82 Rb 0.83621051306335 0.12500000000000 0.57768330563427 85.468 > 81 83 Rb 0.33621051306335 0.62500000000000 0.57768330563427 85.468 > 81 84 Rb 0.83621051306335 0.62500000000000 0.57768330563427 85.468 > 81 85 Rb 0.16378948693665 0.37500000000000 0.42231669436573 85.468 > 85 86 Rb 0.66378948693665 0.37500000000000 0.42231669436573 85.468 > 85 87 Rb 0.16378948693665 0.87500000000000 0.42231669436573 85.468 > 85 88 Rb 0.66378948693665 0.87500000000000 0.42231669436573 85.468 > 85 89 Rb 0.08621051306335 0.12500000000000 0.92231669436573 85.468 > 89 90 Rb 0.58621051306335 0.12500000000000 0.92231669436573 85.468 > 89 91 Rb 0.08621051306335 0.62500000000000 0.92231669436573 85.468 > 89 92 Rb 0.58621051306335 0.62500000000000 0.92231669436573 85.468 > 89 93 Rb 0.41378948693665 0.37500000000000 0.07768330563427 85.468 > 93 94 Rb 0.91378948693665 0.37500000000000 0.07768330563427 85.468 > 93 95 Rb 0.41378948693665 0.87500000000000 0.07768330563427 85.468 > 93 96 Rb 0.91378948693665 0.87500000000000 0.07768330563427 85.468 > 93 97 Rb 0.25305535031291 0.12500000000000 0.21668739538830 85.468 > 97 98 Rb 0.75305535031291 0.12500000000000 0.21668739538830 85.468 > 97 99 Rb 0.25305535031291 0.62500000000000 0.21668739538830 85.468 > 97 100 Rb 0.75305535031291 0.62500000000000 0.21668739538830 85.468 > 97 101 Rb 0.24694464968709 0.37500000000000 0.78331260461170 85.468 > 101 102 Rb 0.74694464968709 0.37500000000000 0.78331260461170 85.468 > 101 103 Rb 0.24694464968709 0.87500000000000 0.78331260461170 85.468 > 101 104 Rb 0.74694464968709 0.87500000000000 0.78331260461170 85.468 > 101 105 Rb 0.00305535031291 0.12500000000000 0.28331260461170 85.468 > 105 106 Rb 0.50305535031291 0.12500000000000 0.28331260461170 85.468 > 105 107 Rb 0.00305535031291 0.62500000000000 0.28331260461170 85.468 > 105 108 Rb 0.50305535031291 0.62500000000000 0.28331260461170 85.468 > 105 109 Rb 0.49694464968709 0.37500000000000 0.71668739538830 85.468 > 109 110 Rb 0.99694464968709 0.37500000000000 0.71668739538830 85.468 > 109 111 Rb 0.49694464968709 0.87500000000000 0.71668739538830 85.468 > 109 112 Rb 0.99694464968709 0.87500000000000 0.71668739538830 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.2831583 0.0000000 0.0000000 0.0000000 2.3699037 0.0000000 0.0000000 0.0000000 2.3567230 -------------------------- Born effective charges -------------------------- 1 O -1.1532528 0.0000000 -0.3009965 0.0000000 -1.2279329 0.0000000 -0.2104450 0.0000000 -1.9359740 2 O -1.1532528 0.0000000 -0.3009965 0.0000000 -1.2279329 0.0000000 -0.2104450 0.0000000 -1.9359740 3 O -1.1532528 0.0000000 0.3009965 0.0000000 -1.2279329 0.0000000 0.2104450 0.0000000 -1.9359740 4 O -1.1532528 0.0000000 0.3009965 0.0000000 -1.2279329 0.0000000 0.2104450 0.0000000 -1.9359740 5 O -1.0526752 0.1219659 0.0362388 0.0591298 -1.8462253 -0.3748588 -0.0343841 -0.3757632 -1.4125297 6 O -1.0526752 -0.1219659 0.0362388 -0.0591298 -1.8462253 0.3748588 -0.0343841 0.3757632 -1.4125297 7 O -1.0526752 -0.1219659 -0.0362388 -0.0591298 -1.8462253 -0.3748588 0.0343841 -0.3757632 -1.4125297 8 O -1.0526752 0.1219659 -0.0362388 0.0591298 -1.8462253 0.3748588 0.0343841 0.3757632 -1.4125297 9 O -1.0526752 0.1219659 0.0362388 0.0591298 -1.8462253 -0.3748588 -0.0343841 -0.3757632 -1.4125297 10 O -1.0526752 -0.1219659 0.0362388 -0.0591298 -1.8462253 0.3748588 -0.0343841 0.3757632 -1.4125297 11 O -1.0526752 -0.1219659 -0.0362388 -0.0591298 -1.8462253 -0.3748588 0.0343841 -0.3757632 -1.4125297 12 O -1.0526752 0.1219659 -0.0362388 0.0591298 -1.8462253 0.3748588 0.0343841 0.3757632 -1.4125297 13 F -1.8114630 0.0000000 -0.1708860 0.0000000 -0.6185463 0.0000000 -0.1719970 0.0000000 -0.6971637 14 F -1.8114630 0.0000000 -0.1708860 0.0000000 -0.6185463 0.0000000 -0.1719970 0.0000000 -0.6971637 15 F -1.8114630 0.0000000 0.1708860 0.0000000 -0.6185463 0.0000000 0.1719970 0.0000000 -0.6971637 16 F -1.8114630 0.0000000 0.1708860 0.0000000 -0.6185463 0.0000000 0.1719970 0.0000000 -0.6971637 17 P 2.5473942 0.0000000 0.0583746 0.0000000 3.0355741 0.0000000 0.0597264 0.0000000 2.9442134 18 P 2.5473942 0.0000000 0.0583746 0.0000000 3.0355741 0.0000000 0.0597264 0.0000000 2.9442134 19 P 2.5473942 0.0000000 -0.0583746 0.0000000 3.0355741 0.0000000 -0.0597264 0.0000000 2.9442134 20 P 2.5473942 0.0000000 -0.0583746 0.0000000 3.0355741 0.0000000 -0.0597264 0.0000000 2.9442134 21 Rb 1.1942556 0.0000000 0.0422956 0.0000000 1.2712363 0.0000000 0.0487534 0.0000000 1.2327414 22 Rb 1.1942556 0.0000000 0.0422956 0.0000000 1.2712363 0.0000000 0.0487534 0.0000000 1.2327414 23 Rb 1.1942556 0.0000000 -0.0422956 0.0000000 1.2712363 0.0000000 -0.0487534 0.0000000 1.2327414 24 Rb 1.1942556 0.0000000 -0.0422956 0.0000000 1.2712363 0.0000000 -0.0487534 0.0000000 1.2327414 25 Rb 1.3284165 0.0000000 -0.0045783 0.0000000 1.2321194 0.0000000 0.0344853 0.0000000 1.2812422 26 Rb 1.3284165 0.0000000 -0.0045783 0.0000000 1.2321194 0.0000000 0.0344853 0.0000000 1.2812422 27 Rb 1.3284165 0.0000000 0.0045783 0.0000000 1.2321194 0.0000000 -0.0344853 0.0000000 1.2812422 28 Rb 1.3284165 0.0000000 0.0045783 0.0000000 1.2321194 0.0000000 -0.0344853 0.0000000 1.2812422 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000008 (yzy) -0.00000008 (yzy) -0.00000008 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:21:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:21:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.928707949999999 0.000000000000000 0.000000000000000 b 0.000000000000000 6.144044939999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522909810000000 Atomic positions (fractional): 1 O 0.18872693267489 0.75000000000000 0.95075857581604 15.999 2 O 0.81127306732511 0.25000000000000 0.04924142418396 15.999 3 O 0.31127306732511 0.25000000000000 0.45075857581604 15.999 4 O 0.68872693267489 0.75000000000000 0.54924142418396 15.999 5 O 0.22847493714124 0.95876759925636 0.15929526266292 15.999 6 O 0.77152506285876 0.45876759925636 0.84070473733708 15.999 7 O 0.72847493714124 0.54123240074364 0.34070473733708 15.999 8 O 0.27152506285876 0.04123240074364 0.65929526266292 15.999 9 O 0.77152506285876 0.04123240074364 0.84070473733708 15.999 10 O 0.22847493714124 0.54123240074364 0.15929526266292 15.999 11 O 0.27152506285876 0.45876759925636 0.65929526266292 15.999 12 O 0.72847493714124 0.95876759925636 0.34070473733708 15.999 13 F 0.96582184336576 0.75000000000000 0.43616968857662 18.998 14 F 0.03417815663424 0.25000000000000 0.56383031142338 18.998 15 F 0.53417815663424 0.25000000000000 0.93616968857662 18.998 16 F 0.46582184336576 0.75000000000000 0.06383031142338 18.998 17 P 0.74184983977048 0.25000000000000 0.91445600846423 30.974 18 P 0.25815016022952 0.75000000000000 0.08554399153577 30.974 19 P 0.24184983977048 0.25000000000000 0.58554399153577 30.974 20 P 0.75815016022952 0.75000000000000 0.41445600846423 30.974 21 Rb 0.67242102612669 0.25000000000000 0.57768330563427 85.468 22 Rb 0.32757897387330 0.75000000000000 0.42231669436573 85.468 23 Rb 0.17242102612669 0.25000000000000 0.92231669436573 85.468 24 Rb 0.82757897387331 0.75000000000000 0.07768330563427 85.468 25 Rb 0.50611070062582 0.25000000000000 0.21668739538830 85.468 26 Rb 0.49388929937418 0.75000000000000 0.78331260461170 85.468 27 Rb 0.00611070062582 0.25000000000000 0.28331260461170 85.468 28 Rb 0.99388929937418 0.75000000000000 0.71668739538830 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.857415899999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.288089879999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.522909810000000 Atomic positions (fractional): 1 O 0.09436346633745 0.37500000000000 0.95075857581604 15.999 > 1 2 O 0.59436346633745 0.37500000000000 0.95075857581604 15.999 > 1 3 O 0.09436346633745 0.87500000000000 0.95075857581604 15.999 > 1 4 O 0.59436346633745 0.87500000000000 0.95075857581604 15.999 > 1 5 O 0.40563653366255 0.12500000000000 0.04924142418396 15.999 > 5 6 O 0.90563653366255 0.12500000000000 0.04924142418396 15.999 > 5 7 O 0.40563653366255 0.62500000000000 0.04924142418396 15.999 > 5 8 O 0.90563653366255 0.62500000000000 0.04924142418396 15.999 > 5 9 O 0.15563653366255 0.12500000000000 0.45075857581604 15.999 > 9 10 O 0.65563653366255 0.12500000000000 0.45075857581604 15.999 > 9 11 O 0.15563653366255 0.62500000000000 0.45075857581604 15.999 > 9 12 O 0.65563653366255 0.62500000000000 0.45075857581604 15.999 > 9 13 O 0.34436346633745 0.37500000000000 0.54924142418396 15.999 > 13 14 O 0.84436346633745 0.37500000000000 0.54924142418396 15.999 > 13 15 O 0.34436346633745 0.87500000000000 0.54924142418396 15.999 > 13 16 O 0.84436346633745 0.87500000000000 0.54924142418396 15.999 > 13 17 O 0.11423746857062 0.47938379962818 0.15929526266292 15.999 > 17 18 O 0.61423746857062 0.47938379962818 0.15929526266292 15.999 > 17 19 O 0.11423746857062 0.97938379962818 0.15929526266292 15.999 > 17 20 O 0.61423746857062 0.97938379962818 0.15929526266292 15.999 > 17 21 O 0.38576253142938 0.22938379962818 0.84070473733708 15.999 > 21 22 O 0.88576253142938 0.22938379962818 0.84070473733708 15.999 > 21 23 O 0.38576253142938 0.72938379962818 0.84070473733708 15.999 > 21 24 O 0.88576253142938 0.72938379962818 0.84070473733708 15.999 > 21 25 O 0.36423746857062 0.27061620037182 0.34070473733708 15.999 > 25 26 O 0.86423746857062 0.27061620037182 0.34070473733708 15.999 > 25 27 O 0.36423746857062 0.77061620037182 0.34070473733708 15.999 > 25 28 O 0.86423746857062 0.77061620037182 0.34070473733708 15.999 > 25 29 O 0.13576253142938 0.02061620037182 0.65929526266292 15.999 > 29 30 O 0.63576253142938 0.02061620037182 0.65929526266292 15.999 > 29 31 O 0.13576253142938 0.52061620037182 0.65929526266292 15.999 > 29 32 O 0.63576253142938 0.52061620037182 0.65929526266292 15.999 > 29 33 O 0.38576253142938 0.02061620037182 0.84070473733708 15.999 > 33 34 O 0.88576253142938 0.02061620037182 0.84070473733708 15.999 > 33 35 O 0.38576253142938 0.52061620037182 0.84070473733708 15.999 > 33 36 O 0.88576253142938 0.52061620037182 0.84070473733708 15.999 > 33 37 O 0.11423746857062 0.27061620037182 0.15929526266292 15.999 > 37 38 O 0.61423746857062 0.27061620037182 0.15929526266292 15.999 > 37 39 O 0.11423746857062 0.77061620037182 0.15929526266292 15.999 > 37 40 O 0.61423746857062 0.77061620037182 0.15929526266292 15.999 > 37 41 O 0.13576253142938 0.22938379962818 0.65929526266292 15.999 > 41 42 O 0.63576253142938 0.22938379962818 0.65929526266292 15.999 > 41 43 O 0.13576253142938 0.72938379962818 0.65929526266292 15.999 > 41 44 O 0.63576253142938 0.72938379962818 0.65929526266292 15.999 > 41 45 O 0.36423746857062 0.47938379962818 0.34070473733708 15.999 > 45 46 O 0.86423746857062 0.47938379962818 0.34070473733708 15.999 > 45 47 O 0.36423746857062 0.97938379962818 0.34070473733708 15.999 > 45 48 O 0.86423746857062 0.97938379962818 0.34070473733708 15.999 > 45 49 F 0.48291092168288 0.37500000000000 0.43616968857662 18.998 > 49 50 F 0.98291092168288 0.37500000000000 0.43616968857662 18.998 > 49 51 F 0.48291092168288 0.87500000000000 0.43616968857662 18.998 > 49 52 F 0.98291092168288 0.87500000000000 0.43616968857662 18.998 > 49 53 F 0.01708907831712 0.12500000000000 0.56383031142338 18.998 > 53 54 F 0.51708907831712 0.12500000000000 0.56383031142338 18.998 > 53 55 F 0.01708907831712 0.62500000000000 0.56383031142338 18.998 > 53 56 F 0.51708907831712 0.62500000000000 0.56383031142338 18.998 > 53 57 F 0.26708907831712 0.12500000000000 0.93616968857662 18.998 > 57 58 F 0.76708907831712 0.12500000000000 0.93616968857662 18.998 > 57 59 F 0.26708907831712 0.62500000000000 0.93616968857662 18.998 > 57 60 F 0.76708907831712 0.62500000000000 0.93616968857662 18.998 > 57 61 F 0.23291092168288 0.37500000000000 0.06383031142338 18.998 > 61 62 F 0.73291092168288 0.37500000000000 0.06383031142338 18.998 > 61 63 F 0.23291092168288 0.87500000000000 0.06383031142338 18.998 > 61 64 F 0.73291092168288 0.87500000000000 0.06383031142338 18.998 > 61 65 P 0.37092491988524 0.12500000000000 0.91445600846423 30.974 > 65 66 P 0.87092491988524 0.12500000000000 0.91445600846423 30.974 > 65 67 P 0.37092491988524 0.62500000000000 0.91445600846423 30.974 > 65 68 P 0.87092491988524 0.62500000000000 0.91445600846423 30.974 > 65 69 P 0.12907508011476 0.37500000000000 0.08554399153577 30.974 > 69 70 P 0.62907508011476 0.37500000000000 0.08554399153577 30.974 > 69 71 P 0.12907508011476 0.87500000000000 0.08554399153577 30.974 > 69 72 P 0.62907508011476 0.87500000000000 0.08554399153577 30.974 > 69 73 P 0.12092491988524 0.12500000000000 0.58554399153577 30.974 > 73 74 P 0.62092491988524 0.12500000000000 0.58554399153577 30.974 > 73 75 P 0.12092491988524 0.62500000000000 0.58554399153577 30.974 > 73 76 P 0.62092491988524 0.62500000000000 0.58554399153577 30.974 > 73 77 P 0.37907508011476 0.37500000000000 0.41445600846423 30.974 > 77 78 P 0.87907508011476 0.37500000000000 0.41445600846423 30.974 > 77 79 P 0.37907508011476 0.87500000000000 0.41445600846423 30.974 > 77 80 P 0.87907508011476 0.87500000000000 0.41445600846423 30.974 > 77 81 Rb 0.33621051306335 0.12500000000000 0.57768330563427 85.468 > 81 82 Rb 0.83621051306335 0.12500000000000 0.57768330563427 85.468 > 81 83 Rb 0.33621051306335 0.62500000000000 0.57768330563427 85.468 > 81 84 Rb 0.83621051306335 0.62500000000000 0.57768330563427 85.468 > 81 85 Rb 0.16378948693665 0.37500000000000 0.42231669436573 85.468 > 85 86 Rb 0.66378948693665 0.37500000000000 0.42231669436573 85.468 > 85 87 Rb 0.16378948693665 0.87500000000000 0.42231669436573 85.468 > 85 88 Rb 0.66378948693665 0.87500000000000 0.42231669436573 85.468 > 85 89 Rb 0.08621051306335 0.12500000000000 0.92231669436573 85.468 > 89 90 Rb 0.58621051306335 0.12500000000000 0.92231669436573 85.468 > 89 91 Rb 0.08621051306335 0.62500000000000 0.92231669436573 85.468 > 89 92 Rb 0.58621051306335 0.62500000000000 0.92231669436573 85.468 > 89 93 Rb 0.41378948693665 0.37500000000000 0.07768330563427 85.468 > 93 94 Rb 0.91378948693665 0.37500000000000 0.07768330563427 85.468 > 93 95 Rb 0.41378948693665 0.87500000000000 0.07768330563427 85.468 > 93 96 Rb 0.91378948693665 0.87500000000000 0.07768330563427 85.468 > 93 97 Rb 0.25305535031291 0.12500000000000 0.21668739538830 85.468 > 97 98 Rb 0.75305535031291 0.12500000000000 0.21668739538830 85.468 > 97 99 Rb 0.25305535031291 0.62500000000000 0.21668739538830 85.468 > 97 100 Rb 0.75305535031291 0.62500000000000 0.21668739538830 85.468 > 97 101 Rb 0.24694464968709 0.37500000000000 0.78331260461170 85.468 > 101 102 Rb 0.74694464968709 0.37500000000000 0.78331260461170 85.468 > 101 103 Rb 0.24694464968709 0.87500000000000 0.78331260461170 85.468 > 101 104 Rb 0.74694464968709 0.87500000000000 0.78331260461170 85.468 > 101 105 Rb 0.00305535031291 0.12500000000000 0.28331260461170 85.468 > 105 106 Rb 0.50305535031291 0.12500000000000 0.28331260461170 85.468 > 105 107 Rb 0.00305535031291 0.62500000000000 0.28331260461170 85.468 > 105 108 Rb 0.50305535031291 0.62500000000000 0.28331260461170 85.468 > 105 109 Rb 0.49694464968709 0.37500000000000 0.71668739538830 85.468 > 109 110 Rb 0.99694464968709 0.37500000000000 0.71668739538830 85.468 > 109 111 Rb 0.49694464968709 0.87500000000000 0.71668739538830 85.468 > 109 112 Rb 0.99694464968709 0.87500000000000 0.71668739538830 85.468 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.2831583 0.0000000 0.0000000 0.0000000 2.3699037 0.0000000 0.0000000 0.0000000 2.3567230 -------------------------- Born effective charges -------------------------- 1 O -1.1532528 0.0000000 -0.3009965 0.0000000 -1.2279329 0.0000000 -0.2104450 0.0000000 -1.9359740 2 O -1.1532528 0.0000000 -0.3009965 0.0000000 -1.2279329 0.0000000 -0.2104450 0.0000000 -1.9359740 3 O -1.1532528 0.0000000 0.3009965 0.0000000 -1.2279329 0.0000000 0.2104450 0.0000000 -1.9359740 4 O -1.1532528 0.0000000 0.3009965 0.0000000 -1.2279329 0.0000000 0.2104450 0.0000000 -1.9359740 5 O -1.0526752 0.1219659 0.0362388 0.0591298 -1.8462253 -0.3748588 -0.0343841 -0.3757632 -1.4125297 6 O -1.0526752 -0.1219659 0.0362388 -0.0591298 -1.8462253 0.3748588 -0.0343841 0.3757632 -1.4125297 7 O -1.0526752 -0.1219659 -0.0362388 -0.0591298 -1.8462253 -0.3748588 0.0343841 -0.3757632 -1.4125297 8 O -1.0526752 0.1219659 -0.0362388 0.0591298 -1.8462253 0.3748588 0.0343841 0.3757632 -1.4125297 9 O -1.0526752 0.1219659 0.0362388 0.0591298 -1.8462253 -0.3748588 -0.0343841 -0.3757632 -1.4125297 10 O -1.0526752 -0.1219659 0.0362388 -0.0591298 -1.8462253 0.3748588 -0.0343841 0.3757632 -1.4125297 11 O -1.0526752 -0.1219659 -0.0362388 -0.0591298 -1.8462253 -0.3748588 0.0343841 -0.3757632 -1.4125297 12 O -1.0526752 0.1219659 -0.0362388 0.0591298 -1.8462253 0.3748588 0.0343841 0.3757632 -1.4125297 13 F -1.8114630 0.0000000 -0.1708860 0.0000000 -0.6185463 0.0000000 -0.1719970 0.0000000 -0.6971637 14 F -1.8114630 0.0000000 -0.1708860 0.0000000 -0.6185463 0.0000000 -0.1719970 0.0000000 -0.6971637 15 F -1.8114630 0.0000000 0.1708860 0.0000000 -0.6185463 0.0000000 0.1719970 0.0000000 -0.6971637 16 F -1.8114630 0.0000000 0.1708860 0.0000000 -0.6185463 0.0000000 0.1719970 0.0000000 -0.6971637 17 P 2.5473942 0.0000000 0.0583746 0.0000000 3.0355741 0.0000000 0.0597264 0.0000000 2.9442134 18 P 2.5473942 0.0000000 0.0583746 0.0000000 3.0355741 0.0000000 0.0597264 0.0000000 2.9442134 19 P 2.5473942 0.0000000 -0.0583746 0.0000000 3.0355741 0.0000000 -0.0597264 0.0000000 2.9442134 20 P 2.5473942 0.0000000 -0.0583746 0.0000000 3.0355741 0.0000000 -0.0597264 0.0000000 2.9442134 21 Rb 1.1942556 0.0000000 0.0422956 0.0000000 1.2712363 0.0000000 0.0487534 0.0000000 1.2327414 22 Rb 1.1942556 0.0000000 0.0422956 0.0000000 1.2712363 0.0000000 0.0487534 0.0000000 1.2327414 23 Rb 1.1942556 0.0000000 -0.0422956 0.0000000 1.2712363 0.0000000 -0.0487534 0.0000000 1.2327414 24 Rb 1.1942556 0.0000000 -0.0422956 0.0000000 1.2712363 0.0000000 -0.0487534 0.0000000 1.2327414 25 Rb 1.3284165 0.0000000 -0.0045783 0.0000000 1.2321194 0.0000000 0.0344853 0.0000000 1.2812422 26 Rb 1.3284165 0.0000000 -0.0045783 0.0000000 1.2321194 0.0000000 0.0344853 0.0000000 1.2812422 27 Rb 1.3284165 0.0000000 0.0045783 0.0000000 1.2321194 0.0000000 -0.0344853 0.0000000 1.2812422 28 Rb 1.3284165 0.0000000 0.0045783 0.0000000 1.2321194 0.0000000 -0.0344853 0.0000000 1.2812422 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000008 (yzy) -0.00000008 (yzy) -0.00000008 (yyz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 8 5 ] 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: 0.52, Number of G-points: 313, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.735 ( 0.000 0.000 0.000) 0.000 1.172 ( 0.000 0.000 0.000) 0.000 1.278 ( 0.000 0.000 0.000) 0.000 1.543 ( 0.000 0.000 0.000) 0.000 1.645 ( 0.000 0.000 0.000) 0.000 1.650 ( 0.000 0.000 0.000) 0.000 1.800 ( 0.000 0.000 0.000) 0.000 1.815 ( 0.000 0.000 0.000) 0.000 1.854 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 1.900 ( 0.000 0.000 0.000) 0.000 1.936 ( 0.000 0.000 0.000) 0.000 1.974 ( 0.000 0.000 0.000) 0.000 2.093 ( 0.000 0.000 0.000) 0.000 2.095 ( 0.000 0.000 0.000) 0.000 2.208 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.364 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.532 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.672 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.817 ( 0.000 0.000 0.000) 0.000 2.978 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.140 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.185 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.427 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.700 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.862 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 4.057 ( 0.000 0.000 0.000) 0.000 4.059 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 10.314 ( 0.000 0.000 0.000) 0.000 10.329 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.450 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.493 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 14.733 ( 0.000 0.000 0.000) 0.000 14.787 ( 0.000 0.000 0.000) 0.000 14.806 ( 0.000 0.000 0.000) 0.000 14.830 ( 0.000 0.000 0.000) 0.000 14.974 ( 0.000 0.000 0.000) 0.000 14.976 ( 0.000 0.000 0.000) 0.000 14.992 ( 0.000 0.000 0.000) 0.000 15.027 ( 0.000 0.000 0.000) 0.000 15.077 ( 0.000 0.000 0.000) 0.000 15.102 ( 0.000 0.000 0.000) 0.000 15.270 ( 0.000 0.000 0.000) 0.000 15.278 ( 0.000 0.000 0.000) 0.000 19.293 ( 0.000 0.000 0.000) 0.000 19.615 ( 0.000 0.000 0.000) 0.000 19.766 ( 0.000 0.000 0.000) 0.000 20.134 ( 0.000 0.000 0.000) 0.000 28.722 ( 0.000 0.000 0.000) 0.000 28.762 ( 0.000 0.000 0.000) 0.000 28.864 ( 0.000 0.000 0.000) 0.000 28.924 ( 0.000 0.000 0.000) 0.000 33.350 ( 0.000 0.000 0.000) 0.000 33.385 ( 0.000 0.000 0.000) 0.000 33.637 ( 0.000 0.000 0.000) 0.000 33.667 ( 0.000 0.000 0.000) 0.000 33.672 ( 0.000 0.000 0.000) 0.000 33.679 ( 0.000 0.000 0.000) 0.000 33.702 ( 0.000 0.000 0.000) 0.000 34.678 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.278 ( 12.806 0.000 0.000) 12.806 0.414 ( 19.405 0.000 0.000) 19.405 0.713 ( -1.437 0.000 0.000) 1.437 0.743 ( 33.915 0.000 0.000) 33.915 1.229 ( 4.241 0.000 0.000) 4.241 1.379 ( 8.572 0.000 0.000) 8.572 1.482 ( -5.620 0.000 0.000) 5.620 1.669 ( 1.805 0.000 0.000) 1.805 1.749 ( 8.642 0.000 0.000) 8.642 1.761 ( -4.502 0.000 0.000) 4.502 1.811 ( -3.551 0.000 0.000) 3.551 1.839 ( 3.515 0.000 0.000) 3.515 1.853 ( -1.764 0.000 0.000) 1.764 1.880 ( -2.033 0.000 0.000) 2.033 1.952 ( 1.601 0.000 0.000) 1.601 1.975 ( 0.559 0.000 0.000) 0.559 2.142 ( 2.175 0.000 0.000) 2.175 2.153 ( 3.823 0.000 0.000) 3.823 2.263 ( 4.647 0.000 0.000) 4.647 2.309 ( 3.357 0.000 0.000) 3.357 2.365 ( -0.207 0.000 0.000) 0.207 2.400 ( 4.913 0.000 0.000) 4.913 2.408 ( 4.848 0.000 0.000) 4.848 2.448 ( 1.358 0.000 0.000) 1.358 2.548 ( 1.056 0.000 0.000) 1.056 2.563 ( -8.887 0.000 0.000) 8.887 2.645 ( 0.710 0.000 0.000) 0.710 2.744 ( -0.337 0.000 0.000) 0.337 2.785 ( -2.510 0.000 0.000) 2.510 2.905 ( -7.014 0.000 0.000) 7.014 2.985 ( -2.262 0.000 0.000) 2.262 3.003 ( -0.721 0.000 0.000) 0.721 3.025 ( 3.236 0.000 0.000) 3.236 3.114 ( -2.703 0.000 0.000) 2.703 3.173 ( -1.547 0.000 0.000) 1.547 3.195 ( -6.862 0.000 0.000) 6.862 3.213 ( 2.803 0.000 0.000) 2.803 3.289 ( -2.366 0.000 0.000) 2.366 3.362 ( -1.531 0.000 0.000) 1.531 3.368 ( 0.916 0.000 0.000) 0.916 3.498 ( -1.361 0.000 0.000) 1.361 3.537 ( -1.583 0.000 0.000) 1.583 3.711 ( 2.637 0.000 0.000) 2.637 3.817 ( -3.041 0.000 0.000) 3.041 3.886 ( -1.549 0.000 0.000) 1.549 4.063 ( 0.759 0.000 0.000) 0.759 4.208 ( 10.935 0.000 0.000) 10.935 5.155 ( -5.989 0.000 0.000) 5.989 10.303 ( -0.208 0.000 0.000) 0.208 10.326 ( 1.061 0.000 0.000) 1.061 10.336 ( 0.717 0.000 0.000) 0.717 10.391 ( 3.398 0.000 0.000) 3.398 10.441 ( -0.758 0.000 0.000) 0.758 10.458 ( -2.721 0.000 0.000) 2.721 10.476 ( -1.068 0.000 0.000) 1.068 10.622 ( 0.105 0.000 0.000) 0.105 14.772 ( -1.228 0.000 0.000) 1.228 14.794 ( -1.069 0.000 0.000) 1.069 14.829 ( -0.018 0.000 0.000) 0.018 14.884 ( -0.466 0.000 0.000) 0.466 14.974 ( 0.114 0.000 0.000) 0.114 14.984 ( 0.797 0.000 0.000) 0.797 14.998 ( 0.530 0.000 0.000) 0.530 15.020 ( -0.623 0.000 0.000) 0.623 15.071 ( -0.519 0.000 0.000) 0.519 15.094 ( -0.782 0.000 0.000) 0.782 15.253 ( -1.996 0.000 0.000) 1.996 15.261 ( -0.894 0.000 0.000) 0.894 19.701 ( 7.193 0.000 0.000) 7.193 19.811 ( 3.843 0.000 0.000) 3.843 20.190 ( 5.300 0.000 0.000) 5.300 20.813 ( -2.944 0.000 0.000) 2.944 28.773 ( 1.018 0.000 0.000) 1.018 28.862 ( -0.242 0.000 0.000) 0.242 28.925 ( 0.109 0.000 0.000) 0.109 28.990 ( -0.777 0.000 0.000) 0.777 33.352 ( 0.179 0.000 0.000) 0.179 33.382 ( -0.293 0.000 0.000) 0.293 33.640 ( 0.275 0.000 0.000) 0.275 33.667 ( 0.035 0.000 0.000) 0.035 33.672 ( -0.045 0.000 0.000) 0.045 33.676 ( -0.245 0.000 0.000) 0.245 33.751 ( 4.655 0.000 0.000) 4.655 34.612 ( -8.173 0.000 0.000) 8.173 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.523 ( 9.921 0.000 0.000) 9.921 0.695 ( -0.387 0.000 0.000) 0.387 0.808 ( 17.878 0.000 0.000) 17.878 1.289 ( 0.526 0.000 0.000) 0.526 1.306 ( 9.055 0.000 0.000) 9.055 1.346 ( -5.941 0.000 0.000) 5.941 1.571 ( 13.788 0.000 0.000) 13.788 1.728 ( 3.632 0.000 0.000) 3.632 1.750 ( -1.147 0.000 0.000) 1.147 1.758 ( 8.747 0.000 0.000) 8.747 1.817 ( -2.640 0.000 0.000) 2.640 1.844 ( -0.834 0.000 0.000) 0.834 1.890 ( 3.404 0.000 0.000) 3.404 1.972 ( 7.871 0.000 0.000) 7.871 2.002 ( 3.075 0.000 0.000) 3.075 2.002 ( 2.553 0.000 0.000) 2.553 2.145 ( -1.928 0.000 0.000) 1.928 2.203 ( 0.360 0.000 0.000) 0.360 2.280 ( -9.758 0.000 0.000) 9.758 2.349 ( 1.522 0.000 0.000) 1.522 2.394 ( 3.612 0.000 0.000) 3.612 2.431 ( -0.797 0.000 0.000) 0.797 2.465 ( 1.885 0.000 0.000) 1.885 2.491 ( 3.162 0.000 0.000) 3.162 2.551 ( 6.331 0.000 0.000) 6.331 2.552 ( -1.026 0.000 0.000) 1.026 2.723 ( 6.087 0.000 0.000) 6.087 2.731 ( -2.564 0.000 0.000) 2.564 2.753 ( 1.573 0.000 0.000) 1.573 2.770 ( -6.970 0.000 0.000) 6.970 2.895 ( -14.340 0.000 0.000) 14.340 2.909 ( -4.506 0.000 0.000) 4.506 2.984 ( -1.190 0.000 0.000) 1.190 3.012 ( -2.925 0.000 0.000) 2.925 3.096 ( -1.270 0.000 0.000) 1.270 3.186 ( 4.665 0.000 0.000) 4.665 3.238 ( -3.941 0.000 0.000) 3.941 3.293 ( 4.344 0.000 0.000) 4.344 3.349 ( -1.389 0.000 0.000) 1.389 3.395 ( 1.646 0.000 0.000) 1.646 3.455 ( -2.764 0.000 0.000) 2.764 3.492 ( -2.533 0.000 0.000) 2.533 3.769 ( -1.227 0.000 0.000) 1.227 3.811 ( 2.441 0.000 0.000) 2.441 3.848 ( 1.140 0.000 0.000) 1.140 4.046 ( -2.480 0.000 0.000) 2.480 4.457 ( 12.472 0.000 0.000) 12.472 4.976 ( -10.659 0.000 0.000) 10.659 10.311 ( 1.029 0.000 0.000) 1.029 10.357 ( 1.782 0.000 0.000) 1.782 10.357 ( 1.235 0.000 0.000) 1.235 10.397 ( -2.858 0.000 0.000) 2.858 10.420 ( -1.246 0.000 0.000) 1.246 10.445 ( -1.818 0.000 0.000) 1.818 10.472 ( 4.065 0.000 0.000) 4.065 10.607 ( -1.694 0.000 0.000) 1.694 14.748 ( -0.830 0.000 0.000) 0.830 14.766 ( -1.385 0.000 0.000) 1.385 14.832 ( 0.364 0.000 0.000) 0.364 14.868 ( -0.992 0.000 0.000) 0.992 14.980 ( 0.411 0.000 0.000) 0.411 15.005 ( -0.729 0.000 0.000) 0.729 15.007 ( 1.363 0.000 0.000) 1.363 15.014 ( 0.907 0.000 0.000) 0.907 15.056 ( -0.893 0.000 0.000) 0.893 15.071 ( -1.351 0.000 0.000) 1.351 15.216 ( -1.087 0.000 0.000) 1.087 15.236 ( -1.340 0.000 0.000) 1.340 19.856 ( 6.215 0.000 0.000) 6.215 19.897 ( 3.546 0.000 0.000) 3.546 20.348 ( 9.280 0.000 0.000) 9.280 20.717 ( -6.291 0.000 0.000) 6.291 28.801 ( 1.517 0.000 0.000) 1.517 28.852 ( -0.683 0.000 0.000) 0.683 28.930 ( 0.461 0.000 0.000) 0.461 28.969 ( -1.168 0.000 0.000) 1.168 33.357 ( 0.332 0.000 0.000) 0.332 33.374 ( -0.421 0.000 0.000) 0.421 33.648 ( 0.464 0.000 0.000) 0.464 33.668 ( 0.063 0.000 0.000) 0.063 33.669 ( -0.405 0.000 0.000) 0.405 33.671 ( -0.101 0.000 0.000) 0.101 33.896 ( 9.002 0.000 0.000) 9.002 34.387 ( -12.445 0.000 0.000) 12.445 ======================= Grid point 3 (4/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -3.454 0.000 0.000) 3.454 0.667 ( 3.454 0.000 0.000) 3.454 1.151 ( -14.233 0.000 0.000) 14.233 1.151 ( 14.233 0.000 0.000) 14.233 1.278 ( -0.272 0.000 0.000) 0.272 1.278 ( 0.272 0.000 0.000) 0.272 1.762 ( -2.100 0.000 0.000) 2.100 1.762 ( 2.100 0.000 0.000) 2.100 1.808 ( -3.018 0.000 0.000) 3.018 1.808 ( 3.018 0.000 0.000) 3.018 1.917 ( -3.031 0.000 0.000) 3.031 1.917 ( 3.031 0.000 0.000) 3.031 1.940 ( -12.066 0.000 0.000) 12.066 1.940 ( 12.066 0.000 0.000) 12.066 2.078 ( -3.872 0.000 0.000) 3.872 2.078 ( 3.872 0.000 0.000) 3.872 2.173 ( -1.638 0.000 0.000) 1.638 2.173 ( 1.638 0.000 0.000) 1.638 2.206 ( -15.485 0.000 0.000) 15.485 2.206 ( 15.485 0.000 0.000) 15.485 2.424 ( -0.075 0.000 0.000) 0.075 2.424 ( 0.075 0.000 0.000) 0.075 2.512 ( -2.406 0.000 0.000) 2.406 2.512 ( 2.406 0.000 0.000) 2.406 2.577 ( -5.792 0.000 0.000) 5.792 2.577 ( 5.792 0.000 0.000) 5.792 2.664 ( -4.174 0.000 0.000) 4.174 2.664 ( 4.174 0.000 0.000) 4.174 2.795 ( -0.516 0.000 0.000) 0.516 2.795 ( 0.516 0.000 0.000) 0.516 2.814 ( -4.084 0.000 0.000) 4.084 2.814 ( 4.084 0.000 0.000) 4.084 2.973 ( -0.530 0.000 0.000) 0.530 2.973 ( 0.530 0.000 0.000) 0.530 3.131 ( -5.012 0.000 0.000) 5.012 3.131 ( 5.012 0.000 0.000) 5.012 3.290 ( -4.231 0.000 0.000) 4.231 3.290 ( 4.231 0.000 0.000) 4.231 3.383 ( -3.998 0.000 0.000) 3.998 3.383 ( 3.998 0.000 0.000) 3.998 3.438 ( -2.405 0.000 0.000) 2.405 3.438 ( 2.405 0.000 0.000) 2.405 3.772 ( -1.632 0.000 0.000) 1.632 3.772 ( 1.632 0.000 0.000) 1.632 3.962 ( -5.384 0.000 0.000) 5.384 3.962 ( 5.384 0.000 0.000) 5.384 4.725 ( -12.763 0.000 0.000) 12.763 4.725 ( 12.763 0.000 0.000) 12.763 10.344 ( -2.072 0.000 0.000) 2.072 10.344 ( 2.072 0.000 0.000) 2.072 10.383 ( -0.716 0.000 0.000) 0.716 10.383 ( 0.716 0.000 0.000) 0.716 10.406 ( -1.358 0.000 0.000) 1.358 10.406 ( 1.358 0.000 0.000) 1.358 10.552 ( -3.381 0.000 0.000) 3.381 10.552 ( 3.381 0.000 0.000) 3.381 14.744 ( -0.527 0.000 0.000) 0.527 14.744 ( 0.527 0.000 0.000) 0.527 14.846 ( -0.954 0.000 0.000) 0.954 14.846 ( 0.954 0.000 0.000) 0.954 14.991 ( -0.619 0.000 0.000) 0.619 14.991 ( 0.619 0.000 0.000) 0.619 15.033 ( -0.511 0.000 0.000) 0.511 15.033 ( 0.511 0.000 0.000) 0.511 15.041 ( -1.037 0.000 0.000) 1.037 15.041 ( 1.037 0.000 0.000) 1.037 15.213 ( -0.665 0.000 0.000) 0.665 15.213 ( 0.665 0.000 0.000) 0.665 19.931 ( -0.790 0.000 0.000) 0.790 19.931 ( 0.790 0.000 0.000) 0.790 20.551 ( -9.276 0.000 0.000) 9.276 20.551 ( 9.276 0.000 0.000) 9.276 28.832 ( -1.277 0.000 0.000) 1.277 28.832 ( 1.277 0.000 0.000) 1.277 28.945 ( -0.966 0.000 0.000) 0.966 28.945 ( 0.966 0.000 0.000) 0.966 33.365 ( -0.422 0.000 0.000) 0.422 33.365 ( 0.422 0.000 0.000) 0.422 33.659 ( -0.518 0.000 0.000) 0.518 33.659 ( 0.518 0.000 0.000) 0.518 33.669 ( -0.076 0.000 0.000) 0.076 33.669 ( 0.076 0.000 0.000) 0.076 34.122 ( -12.172 0.000 0.000) 12.172 34.122 ( 12.172 0.000 0.000) 12.172 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.267 ( 0.000 13.257 0.000) 13.257 0.398 ( 0.000 19.138 0.000) 19.138 0.723 ( 0.000 29.934 0.000) 29.934 0.866 ( 0.000 11.666 0.000) 11.666 1.232 ( 0.000 5.681 0.000) 5.681 1.264 ( 0.000 0.899 0.000) 0.899 1.664 ( 0.000 1.986 0.000) 1.986 1.686 ( 0.000 8.438 0.000) 8.438 1.742 ( 0.000 -2.196 0.000) 2.196 1.747 ( 0.000 8.566 0.000) 8.566 1.762 ( 0.000 -2.747 0.000) 2.747 1.912 ( 0.000 4.465 0.000) 4.465 1.946 ( 0.000 5.940 0.000) 5.940 1.957 ( 0.000 2.061 0.000) 2.061 1.965 ( 0.000 0.454 0.000) 0.454 2.040 ( 0.000 7.860 0.000) 7.860 2.099 ( 0.000 0.552 0.000) 0.552 2.175 ( 0.000 -3.011 0.000) 3.011 2.187 ( 0.000 4.835 0.000) 4.835 2.224 ( 0.000 -1.993 0.000) 1.993 2.325 ( 0.000 -0.614 0.000) 0.614 2.346 ( 0.000 -1.454 0.000) 1.454 2.398 ( 0.000 3.798 0.000) 3.798 2.413 ( 0.000 -6.972 0.000) 6.972 2.617 ( 0.000 2.291 0.000) 2.291 2.637 ( 0.000 1.987 0.000) 1.987 2.734 ( 0.000 0.060 0.000) 0.060 2.837 ( 0.000 6.567 0.000) 6.567 2.874 ( 0.000 6.357 0.000) 6.357 2.932 ( 0.000 -6.131 0.000) 6.131 2.979 ( 0.000 -3.175 0.000) 3.175 3.002 ( 0.000 2.374 0.000) 2.374 3.046 ( 0.000 2.110 0.000) 2.110 3.143 ( 0.000 0.475 0.000) 0.475 3.186 ( 0.000 1.561 0.000) 1.561 3.191 ( 0.000 0.934 0.000) 0.934 3.204 ( 0.000 0.908 0.000) 0.908 3.341 ( 0.000 1.961 0.000) 1.961 3.433 ( 0.000 6.205 0.000) 6.205 3.471 ( 0.000 4.909 0.000) 4.909 3.567 ( 0.000 0.704 0.000) 0.704 3.680 ( 0.000 -1.784 0.000) 1.784 3.710 ( 0.000 -0.474 0.000) 0.474 3.830 ( 0.000 -3.092 0.000) 3.092 3.842 ( 0.000 -5.325 0.000) 5.325 3.972 ( 0.000 -7.832 0.000) 7.832 4.012 ( 0.000 -4.381 0.000) 4.381 5.046 ( 0.000 -6.709 0.000) 6.709 10.297 ( 0.000 -0.724 0.000) 0.724 10.338 ( 0.000 -0.625 0.000) 0.625 10.353 ( 0.000 1.837 0.000) 1.837 10.359 ( 0.000 2.383 0.000) 2.383 10.455 ( 0.000 0.485 0.000) 0.485 10.456 ( 0.000 -2.391 0.000) 2.391 10.490 ( 0.000 0.245 0.000) 0.245 10.654 ( 0.000 2.923 0.000) 2.923 14.732 ( 0.000 -0.057 0.000) 0.057 14.785 ( 0.000 -0.249 0.000) 0.249 14.792 ( 0.000 -1.122 0.000) 1.122 14.821 ( 0.000 -0.679 0.000) 0.679 14.966 ( 0.000 -0.848 0.000) 0.848 14.972 ( 0.000 -0.011 0.000) 0.011 15.028 ( 0.000 0.170 0.000) 0.170 15.088 ( 0.000 -1.109 0.000) 1.109 15.106 ( 0.000 2.555 0.000) 2.555 15.291 ( 0.000 1.656 0.000) 1.656 15.300 ( 0.000 1.785 0.000) 1.785 15.333 ( 0.000 -0.077 0.000) 0.077 19.304 ( 0.000 1.150 0.000) 1.150 19.619 ( 0.000 0.485 0.000) 0.485 19.742 ( 0.000 -2.312 0.000) 2.312 20.098 ( 0.000 -3.403 0.000) 3.403 28.721 ( 0.000 0.016 0.000) 0.016 28.764 ( 0.000 0.173 0.000) 0.173 28.857 ( 0.000 -0.723 0.000) 0.723 28.911 ( 0.000 -1.238 0.000) 1.238 33.344 ( 0.000 -0.502 0.000) 0.502 33.378 ( 0.000 -0.533 0.000) 0.533 33.672 ( 0.000 -1.435 0.000) 1.435 33.674 ( 0.000 1.939 0.000) 1.939 33.678 ( 0.000 -0.555 0.000) 0.555 33.702 ( 0.000 3.182 0.000) 3.182 34.681 ( 0.000 0.773 0.000) 0.773 35.187 ( 0.000 -0.459 0.000) 0.459 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.17 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 13.668 12.709 0.000) 18.663 0.569 ( 13.618 12.977 0.000) 18.811 0.873 ( 0.718 13.753 0.000) 13.771 0.941 ( 21.119 19.165 0.000) 28.518 1.272 ( 3.224 4.292 0.000) 5.368 1.349 ( 7.182 -1.597 0.000) 7.357 1.583 ( -6.503 5.757 0.000) 8.685 1.736 ( 2.842 2.464 0.000) 3.761 1.743 ( -1.784 2.080 0.000) 2.740 1.775 ( 5.501 4.162 0.000) 6.898 1.795 ( 2.124 1.046 0.000) 2.367 1.906 ( 0.387 5.152 0.000) 5.166 1.939 ( -0.269 6.585 0.000) 6.590 1.969 ( 1.471 1.932 0.000) 2.429 1.981 ( 0.105 4.385 0.000) 4.387 2.012 ( -1.493 7.527 0.000) 7.674 2.142 ( 2.778 -0.197 0.000) 2.785 2.168 ( 0.256 0.869 0.000) 0.906 2.231 ( 4.796 -2.920 0.000) 5.615 2.285 ( 2.938 -1.833 0.000) 3.463 2.350 ( 0.096 -1.197 0.000) 1.201 2.354 ( 3.029 -1.055 0.000) 3.208 2.413 ( -0.658 -6.381 0.000) 6.414 2.456 ( 5.711 2.237 0.000) 6.133 2.534 ( -2.760 5.545 0.000) 6.194 2.642 ( 1.219 3.102 0.000) 3.333 2.672 ( -5.382 2.152 0.000) 5.796 2.762 ( -6.724 -2.200 0.000) 7.075 2.824 ( -1.127 4.918 0.000) 5.046 2.907 ( -3.726 -1.230 0.000) 3.924 2.968 ( -4.711 2.402 0.000) 5.288 2.998 ( 0.361 -1.441 0.000) 1.485 3.036 ( 1.435 1.419 0.000) 2.018 3.121 ( -0.736 1.329 0.000) 1.520 3.177 ( -1.559 0.628 0.000) 1.681 3.194 ( -5.405 -0.432 0.000) 5.422 3.235 ( 3.392 1.275 0.000) 3.624 3.304 ( -1.264 2.117 0.000) 2.466 3.398 ( -2.739 5.281 0.000) 5.949 3.476 ( 0.526 7.365 0.000) 7.383 3.554 ( -1.269 1.141 0.000) 1.706 3.643 ( -2.266 6.322 0.000) 6.716 3.710 ( 2.734 0.060 0.000) 2.735 3.781 ( -3.208 -3.635 0.000) 4.848 3.830 ( -1.234 -5.089 0.000) 5.236 3.990 ( 1.121 -6.452 0.000) 6.548 4.145 ( 9.854 -5.942 0.000) 11.507 5.021 ( -4.325 -10.033 0.000) 10.926 10.298 ( 0.319 -0.183 0.000) 0.367 10.346 ( 0.964 1.218 0.000) 1.553 10.363 ( 0.340 1.840 0.000) 1.871 10.383 ( 2.577 -0.394 0.000) 2.607 10.439 ( -1.348 -0.814 0.000) 1.575 10.468 ( 0.175 1.510 0.000) 1.520 10.481 ( -0.840 0.228 0.000) 0.871 10.644 ( -1.062 1.949 0.000) 2.220 14.727 ( -0.331 -3.220 0.000) 3.237 14.779 ( -1.129 -1.231 0.000) 1.670 14.786 ( 0.067 -1.231 0.000) 1.232 14.818 ( -0.238 -0.739 0.000) 0.777 14.970 ( 0.382 -0.541 0.000) 0.662 14.980 ( 0.707 -0.162 0.000) 0.725 15.014 ( -0.998 0.235 0.000) 1.025 15.077 ( -0.914 -0.926 0.000) 1.301 15.100 ( -0.559 2.456 0.000) 2.519 15.183 ( -5.757 6.307 0.000) 8.539 15.275 ( -1.975 1.833 0.000) 2.694 15.283 ( -0.962 1.811 0.000) 2.051 19.700 ( 6.750 -0.030 0.000) 6.750 19.785 ( 4.155 -2.582 0.000) 4.892 20.074 ( 34.140 -35.397 0.000) 49.179 20.149 ( 4.723 -3.884 0.000) 6.115 28.773 ( 0.864 0.026 0.000) 0.864 28.808 ( 3.807 -5.627 0.000) 6.793 28.866 ( 1.374 -1.671 0.000) 2.163 28.911 ( 0.013 -1.306 0.000) 1.306 33.346 ( 0.195 -0.481 0.000) 0.519 33.375 ( -0.270 -0.502 0.000) 0.570 33.668 ( -0.223 0.763 0.000) 0.794 33.676 ( -0.188 -0.501 0.000) 0.535 33.696 ( 1.570 2.580 0.000) 3.020 33.746 ( 4.635 1.276 0.000) 4.807 34.430 ( -30.273 30.118 0.000) 42.703 34.645 ( -13.087 6.638 0.000) 14.674 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.33 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 7.166 18.135 0.000) 19.499 0.853 ( 6.882 11.650 0.000) 13.531 0.927 ( 9.644 12.511 0.000) 15.797 1.330 ( 1.566 3.720 0.000) 4.036 1.355 ( 2.803 5.159 0.000) 5.871 1.407 ( 0.620 2.231 0.000) 2.316 1.601 ( 12.634 3.088 0.000) 13.006 1.738 ( 5.653 1.939 0.000) 5.976 1.766 ( 1.235 2.056 0.000) 2.398 1.832 ( 2.552 8.374 0.000) 8.754 1.893 ( 3.617 0.221 0.000) 3.624 1.909 ( -2.179 7.908 0.000) 8.203 1.961 ( -1.629 6.365 0.000) 6.570 1.971 ( 2.638 -0.056 0.000) 2.639 2.012 ( 0.657 3.048 0.000) 3.118 2.032 ( 5.164 3.352 0.000) 6.156 2.151 ( 0.597 1.230 0.000) 1.367 2.219 ( 1.312 1.180 0.000) 1.765 2.286 ( -7.576 -0.390 0.000) 7.586 2.328 ( 2.458 -4.192 0.000) 4.860 2.329 ( 2.639 -2.074 0.000) 3.357 2.399 ( 0.811 -2.060 0.000) 2.214 2.429 ( 2.529 -3.069 0.000) 3.977 2.527 ( 2.041 3.789 0.000) 4.303 2.558 ( -5.458 -0.868 0.000) 5.526 2.618 ( 7.243 1.462 0.000) 7.389 2.642 ( -4.167 -4.988 0.000) 6.499 2.692 ( 3.276 3.461 0.000) 4.766 2.810 ( -4.251 0.337 0.000) 4.265 2.829 ( 2.569 4.187 0.000) 4.912 2.851 ( -7.430 2.570 0.000) 7.862 2.982 ( -1.884 0.421 0.000) 1.930 3.003 ( -2.639 -0.029 0.000) 2.639 3.014 ( -7.068 3.318 0.000) 7.808 3.091 ( -2.708 -0.221 0.000) 2.717 3.209 ( 4.429 2.336 0.000) 5.008 3.232 ( -5.038 0.654 0.000) 5.080 3.306 ( 1.434 1.626 0.000) 2.168 3.403 ( 2.612 4.167 0.000) 4.918 3.484 ( 0.697 7.666 0.000) 7.698 3.517 ( -2.181 1.801 0.000) 2.828 3.593 ( -2.718 9.880 0.000) 10.247 3.728 ( -1.421 -4.094 0.000) 4.333 3.783 ( -1.974 -3.438 0.000) 3.964 3.817 ( 5.114 -1.746 0.000) 5.404 3.990 ( -1.491 -4.956 0.000) 5.176 4.372 ( 11.542 -7.999 0.000) 14.043 4.863 ( -10.071 -10.069 0.000) 14.241 10.312 ( 1.004 0.076 0.000) 1.007 10.364 ( -0.633 -0.277 0.000) 0.691 10.376 ( 1.778 1.734 0.000) 2.484 10.416 ( -0.284 2.734 0.000) 2.749 10.441 ( 1.187 0.480 0.000) 1.280 10.455 ( -1.605 0.634 0.000) 1.726 10.469 ( 1.665 0.907 0.000) 1.896 10.606 ( -2.528 0.206 0.000) 2.536 14.720 ( -0.198 -2.941 0.000) 2.948 14.750 ( -1.437 -1.446 0.000) 2.038 14.791 ( 0.427 -2.946 0.000) 2.976 14.811 ( -0.451 -1.280 0.000) 1.357 14.981 ( 0.564 0.027 0.000) 0.564 14.998 ( -0.476 0.247 0.000) 0.537 15.001 ( 1.181 -0.560 0.000) 1.307 15.054 ( -1.255 -0.693 0.000) 1.434 15.087 ( -0.450 2.526 0.000) 2.566 15.114 ( -1.895 4.480 0.000) 4.864 15.239 ( -1.106 1.854 0.000) 2.159 15.258 ( -1.348 1.750 0.000) 2.209 19.846 ( 5.855 -0.893 0.000) 5.923 19.876 ( 3.761 -1.985 0.000) 4.253 20.284 ( 7.530 -5.896 0.000) 9.564 20.443 ( 5.367 -21.223 0.000) 21.891 28.796 ( 1.228 -0.408 0.000) 1.294 28.833 ( -0.172 -2.142 0.000) 2.149 28.903 ( 1.161 -3.962 0.000) 4.128 28.912 ( 0.098 -1.640 0.000) 1.643 33.352 ( 0.349 -0.437 0.000) 0.560 33.368 ( -0.381 -0.438 0.000) 0.581 33.665 ( -0.034 0.512 0.000) 0.513 33.671 ( -0.254 -0.307 0.000) 0.398 33.738 ( 2.607 6.332 0.000) 6.847 33.895 ( 9.338 0.815 0.000) 9.374 33.987 ( -12.420 23.569 0.000) 26.641 34.398 ( -12.638 1.606 0.000) 12.740 ======================= Grid point 10 (8/60) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( -2.134 16.849 0.000) 16.983 0.870 ( 2.134 16.849 0.000) 16.983 1.204 ( -11.761 5.314 0.000) 12.906 1.204 ( 11.761 5.314 0.000) 12.906 1.357 ( -2.475 5.820 0.000) 6.324 1.357 ( 2.475 5.820 0.000) 6.324 1.799 ( -0.690 2.748 0.000) 2.833 1.799 ( 0.690 2.748 0.000) 2.833 1.889 ( -0.246 7.198 0.000) 7.202 1.889 ( 0.246 7.198 0.000) 7.202 1.926 ( -1.226 1.055 0.000) 1.618 1.926 ( 1.226 1.055 0.000) 1.618 1.966 ( -6.222 1.459 0.000) 6.391 1.966 ( 6.222 1.459 0.000) 6.391 2.019 ( -2.835 -2.601 0.000) 3.847 2.019 ( 2.835 -2.601 0.000) 3.847 2.203 ( -1.467 1.896 0.000) 2.398 2.203 ( 1.467 1.896 0.000) 2.398 2.256 ( -9.395 3.429 0.000) 10.001 2.256 ( 9.395 3.429 0.000) 10.001 2.385 ( -1.988 -2.640 0.000) 3.304 2.385 ( 1.988 -2.640 0.000) 3.304 2.463 ( -1.941 -3.636 0.000) 4.122 2.463 ( 1.941 -3.636 0.000) 4.122 2.581 ( -2.531 1.468 0.000) 2.926 2.581 ( 2.531 1.468 0.000) 2.926 2.721 ( -4.065 2.601 0.000) 4.826 2.721 ( 4.065 2.601 0.000) 4.826 2.752 ( -1.824 -0.298 0.000) 1.848 2.752 ( 1.824 -0.298 0.000) 1.848 2.906 ( -3.520 5.799 0.000) 6.783 2.906 ( 3.520 5.799 0.000) 6.783 2.972 ( -0.360 0.417 0.000) 0.551 2.972 ( 0.360 0.417 0.000) 0.551 3.107 ( -5.287 -1.460 0.000) 5.485 3.107 ( 5.287 -1.460 0.000) 5.485 3.292 ( -2.749 1.385 0.000) 3.078 3.292 ( 2.749 1.385 0.000) 3.078 3.464 ( -2.750 2.188 0.000) 3.514 3.464 ( 2.750 2.188 0.000) 3.514 3.527 ( -3.245 10.340 0.000) 10.837 3.527 ( 3.245 10.340 0.000) 10.837 3.732 ( -1.745 -3.826 0.000) 4.205 3.732 ( 1.745 -3.826 0.000) 4.205 3.927 ( -4.367 -2.992 0.000) 5.294 3.927 ( 4.367 -2.992 0.000) 5.294 4.624 ( -12.116 -9.423 0.000) 15.349 4.624 ( 12.116 -9.423 0.000) 15.349 10.339 ( -1.433 -0.309 0.000) 1.466 10.339 ( 1.433 -0.309 0.000) 1.466 10.416 ( -1.869 1.595 0.000) 2.457 10.416 ( 1.869 1.595 0.000) 2.457 10.428 ( -0.938 3.046 0.000) 3.187 10.428 ( 0.938 3.046 0.000) 3.187 10.540 ( -3.640 -0.970 0.000) 3.767 10.540 ( 3.640 -0.970 0.000) 3.767 14.726 ( -0.765 -1.906 0.000) 2.054 14.726 ( 0.765 -1.906 0.000) 2.054 14.801 ( -0.484 -2.451 0.000) 2.498 14.801 ( 0.484 -2.451 0.000) 2.498 14.991 ( -0.361 0.256 0.000) 0.442 14.991 ( 0.361 0.256 0.000) 0.442 15.027 ( -1.278 -0.839 0.000) 1.529 15.027 ( 1.278 -0.839 0.000) 1.529 15.088 ( -0.603 3.281 0.000) 3.336 15.088 ( 0.603 3.281 0.000) 3.336 15.234 ( -0.636 1.798 0.000) 1.908 15.234 ( 0.636 1.798 0.000) 1.908 19.915 ( -0.538 -1.492 0.000) 1.586 19.915 ( 0.538 -1.492 0.000) 1.586 20.428 ( -5.069 -10.759 0.000) 11.894 20.428 ( 5.069 -10.759 0.000) 11.894 28.820 ( -0.936 -1.076 0.000) 1.426 28.820 ( 0.936 -1.076 0.000) 1.426 28.913 ( -0.045 -2.544 0.000) 2.544 28.913 ( 0.045 -2.544 0.000) 2.544 33.360 ( -0.408 -0.409 0.000) 0.578 33.360 ( 0.408 -0.409 0.000) 0.578 33.667 ( -0.160 0.060 0.000) 0.171 33.667 ( 0.160 0.060 0.000) 0.171 33.816 ( -5.214 12.468 0.000) 13.514 33.816 ( 5.214 12.468 0.000) 13.514 34.128 ( -12.427 1.200 0.000) 12.485 34.128 ( 12.427 1.200 0.000) 12.485 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.000 10.617 0.000) 10.617 0.766 ( 0.000 16.727 0.000) 16.727 0.935 ( 0.000 -4.579 0.000) 4.579 1.150 ( 0.000 14.898 0.000) 14.898 1.393 ( 0.000 9.924 0.000) 9.924 1.578 ( 0.000 24.766 0.000) 24.766 1.695 ( 0.000 -3.781 0.000) 3.781 1.727 ( 0.000 4.212 0.000) 4.212 1.753 ( 0.000 0.228 0.000) 0.228 1.783 ( 0.000 6.575 0.000) 6.575 1.928 ( 0.000 6.055 0.000) 6.055 1.964 ( 0.000 -0.655 0.000) 0.655 1.995 ( 0.000 1.833 0.000) 1.833 2.031 ( 0.000 -1.428 0.000) 1.428 2.036 ( 0.000 6.828 0.000) 6.828 2.105 ( 0.000 0.920 0.000) 0.920 2.110 ( 0.000 -2.346 0.000) 2.346 2.165 ( 0.000 -1.426 0.000) 1.426 2.265 ( 0.000 9.807 0.000) 9.807 2.279 ( 0.000 5.542 0.000) 5.542 2.305 ( 0.000 -2.748 0.000) 2.748 2.339 ( 0.000 2.149 0.000) 2.149 2.356 ( 0.000 2.112 0.000) 2.112 2.496 ( 0.000 5.032 0.000) 5.032 2.686 ( 0.000 -4.241 0.000) 4.241 2.712 ( 0.000 5.265 0.000) 5.265 2.741 ( 0.000 9.432 0.000) 9.432 2.772 ( 0.000 -9.186 0.000) 9.186 2.881 ( 0.000 -4.848 0.000) 4.848 2.977 ( 0.000 6.767 0.000) 6.767 3.001 ( 0.000 3.584 0.000) 3.584 3.076 ( 0.000 4.698 0.000) 4.698 3.081 ( 0.000 0.153 0.000) 0.153 3.179 ( 0.000 3.810 0.000) 3.810 3.195 ( 0.000 -1.352 0.000) 1.352 3.223 ( 0.000 2.405 0.000) 2.405 3.225 ( 0.000 1.350 0.000) 1.350 3.382 ( 0.000 2.289 0.000) 2.289 3.530 ( 0.000 -5.684 0.000) 5.684 3.530 ( 0.000 0.040 0.000) 0.040 3.595 ( 0.000 4.780 0.000) 4.780 3.653 ( 0.000 -0.193 0.000) 0.193 3.731 ( 0.000 4.090 0.000) 4.090 3.739 ( 0.000 -5.731 0.000) 5.731 3.759 ( 0.000 0.866 0.000) 0.866 3.784 ( 0.000 -8.725 0.000) 8.725 3.898 ( 0.000 -6.198 0.000) 6.198 4.845 ( 0.000 -12.907 0.000) 12.907 10.288 ( 0.000 -0.183 0.000) 0.183 10.322 ( 0.000 -0.794 0.000) 0.794 10.383 ( 0.000 -0.367 0.000) 0.367 10.393 ( 0.000 1.946 0.000) 1.946 10.408 ( 0.000 -2.113 0.000) 2.113 10.465 ( 0.000 0.362 0.000) 0.362 10.538 ( 0.000 4.554 0.000) 4.554 10.712 ( 0.000 2.409 0.000) 2.409 14.732 ( 0.000 0.063 0.000) 0.063 14.771 ( 0.000 -0.672 0.000) 0.672 14.776 ( 0.000 -0.602 0.000) 0.602 14.809 ( 0.000 -0.439 0.000) 0.439 14.948 ( 0.000 -0.707 0.000) 0.707 14.973 ( 0.000 0.038 0.000) 0.038 15.038 ( 0.000 0.852 0.000) 0.852 15.070 ( 0.000 -0.489 0.000) 0.489 15.168 ( 0.000 3.309 0.000) 3.309 15.321 ( 0.000 0.997 0.000) 0.997 15.328 ( 0.000 -0.440 0.000) 0.440 15.332 ( 0.000 0.993 0.000) 0.993 19.340 ( 0.000 2.402 0.000) 2.402 19.638 ( 0.000 1.521 0.000) 1.521 19.676 ( 0.000 -4.040 0.000) 4.040 20.003 ( 0.000 -5.593 0.000) 5.593 28.726 ( 0.000 0.500 0.000) 0.500 28.770 ( 0.000 0.495 0.000) 0.495 28.836 ( 0.000 -1.298 0.000) 1.298 28.878 ( 0.000 -1.836 0.000) 1.836 33.336 ( 0.000 -0.005 0.000) 0.005 33.371 ( 0.000 0.008 0.000) 0.008 33.596 ( 0.000 -4.393 0.000) 4.393 33.635 ( 0.000 -3.979 0.000) 3.979 33.757 ( 0.000 4.407 0.000) 4.407 33.779 ( 0.000 3.969 0.000) 3.969 34.733 ( 0.000 4.651 0.000) 4.651 35.167 ( 0.000 -1.717 0.000) 1.717 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 16.971 6.807 0.000) 18.285 0.863 ( 8.723 14.783 0.000) 17.165 1.113 ( 14.795 -3.369 0.000) 15.174 1.189 ( 3.112 15.603 0.000) 15.910 1.406 ( 1.164 8.883 0.000) 8.959 1.564 ( -1.267 19.686 0.000) 19.726 1.700 ( -3.260 6.520 0.000) 7.290 1.725 ( 2.576 -2.274 0.000) 3.436 1.779 ( -0.873 2.089 0.000) 2.264 1.801 ( 5.607 2.350 0.000) 6.079 1.938 ( 1.448 4.803 0.000) 5.017 2.013 ( 3.236 1.609 0.000) 3.614 2.027 ( 0.921 6.760 0.000) 6.822 2.047 ( 2.722 5.402 0.000) 6.049 2.048 ( 0.006 -1.110 0.000) 1.110 2.119 ( 3.823 -0.339 0.000) 3.838 2.158 ( 4.498 -3.980 0.000) 6.006 2.202 ( -0.410 0.892 0.000) 0.982 2.242 ( -1.188 4.781 0.000) 4.927 2.282 ( 1.296 11.028 0.000) 11.103 2.310 ( -0.247 -2.465 0.000) 2.477 2.347 ( 0.933 1.979 0.000) 2.188 2.364 ( 0.645 1.006 0.000) 1.195 2.510 ( 1.872 3.060 0.000) 3.587 2.601 ( -8.100 -7.431 0.000) 10.992 2.653 ( -2.623 6.376 0.000) 6.894 2.681 ( -4.188 -5.288 0.000) 6.745 2.788 ( 3.342 9.560 0.000) 10.127 2.926 ( -3.425 4.993 0.000) 6.055 2.930 ( -1.024 -1.348 0.000) 1.692 2.941 ( -1.847 -0.600 0.000) 1.942 3.035 ( -3.487 2.353 0.000) 4.207 3.085 ( -1.291 3.324 0.000) 3.566 3.176 ( -0.561 4.275 0.000) 4.312 3.191 ( -4.050 0.326 0.000) 4.064 3.213 ( 0.445 3.463 0.000) 3.491 3.259 ( 3.248 0.937 0.000) 3.381 3.355 ( -0.668 2.477 0.000) 2.565 3.497 ( -1.925 1.639 0.000) 2.528 3.538 ( -0.372 -4.527 0.000) 4.542 3.625 ( 0.325 3.867 0.000) 3.881 3.652 ( -0.197 -5.008 0.000) 5.011 3.693 ( -0.968 -3.206 0.000) 3.349 3.711 ( 0.432 1.280 0.000) 1.351 3.762 ( 0.493 2.461 0.000) 2.510 3.856 ( 3.475 -5.086 0.000) 6.159 3.989 ( 6.890 -8.469 0.000) 10.917 4.790 ( -5.425 -12.873 0.000) 13.969 10.297 ( 0.745 0.112 0.000) 0.753 10.349 ( 2.536 -0.838 0.000) 2.670 10.371 ( -0.824 -0.718 0.000) 1.093 10.399 ( 0.540 1.767 0.000) 1.847 10.422 ( 0.884 -1.551 0.000) 1.786 10.488 ( 1.535 0.477 0.000) 1.607 10.528 ( -0.784 4.614 0.000) 4.680 10.689 ( -2.170 2.111 0.000) 3.027 14.703 ( -2.044 0.193 0.000) 2.053 14.757 ( -1.276 -0.670 0.000) 1.441 14.769 ( -0.545 -0.738 0.000) 0.917 14.807 ( -0.269 -0.378 0.000) 0.464 14.955 ( 0.680 -0.662 0.000) 0.949 14.980 ( 0.594 0.056 0.000) 0.597 15.026 ( -0.884 1.001 0.000) 1.336 15.062 ( -0.751 -0.432 0.000) 0.866 15.158 ( -0.814 3.098 0.000) 3.204 15.252 ( -4.539 1.485 0.000) 4.776 15.309 ( -1.865 1.102 0.000) 2.167 15.315 ( -1.050 0.925 0.000) 1.400 19.646 ( 20.784 -8.884 0.000) 22.603 19.705 ( 5.619 0.734 0.000) 5.667 19.734 ( 6.283 -4.433 0.000) 7.690 20.044 ( 3.604 -6.062 0.000) 7.052 28.749 ( 1.801 -0.894 0.000) 2.011 28.776 ( 0.524 0.309 0.000) 0.609 28.840 ( 0.400 -1.368 0.000) 1.426 28.877 ( -0.112 -1.865 0.000) 1.869 33.339 ( 0.247 0.027 0.000) 0.249 33.369 ( -0.178 0.092 0.000) 0.201 33.612 ( 1.133 -4.510 0.000) 4.650 33.633 ( -0.083 -3.921 0.000) 3.922 33.784 ( 2.892 5.062 0.000) 5.830 33.820 ( 4.069 4.510 0.000) 6.074 34.640 ( -8.726 5.411 0.000) 10.267 34.895 ( -20.916 8.132 0.000) 22.441 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 12.698 10.370 0.000) 16.395 1.095 ( 12.192 12.263 0.000) 17.292 1.251 ( 2.340 16.234 0.000) 16.402 1.402 ( 7.445 -0.308 0.000) 7.451 1.437 ( 1.513 7.098 0.000) 7.257 1.528 ( -3.060 11.116 0.000) 11.529 1.681 ( 4.771 3.506 0.000) 5.921 1.783 ( 2.770 1.490 0.000) 3.145 1.792 ( 3.632 0.267 0.000) 3.642 1.891 ( 2.516 -0.211 0.000) 2.525 1.978 ( 1.256 3.301 0.000) 3.532 2.003 ( -2.385 0.334 0.000) 2.408 2.056 ( 1.733 9.250 0.000) 9.411 2.065 ( -1.012 4.978 0.000) 5.080 2.120 ( 3.242 4.020 0.000) 5.164 2.152 ( -2.601 4.942 0.000) 5.585 2.206 ( 0.463 2.875 0.000) 2.912 2.226 ( -7.756 -4.287 0.000) 8.862 2.246 ( 4.540 -1.914 0.000) 4.927 2.260 ( 3.165 -4.744 0.000) 5.703 2.286 ( -0.906 3.973 0.000) 4.074 2.393 ( 2.181 -1.944 0.000) 2.922 2.425 ( 4.575 6.348 0.000) 7.824 2.454 ( -3.257 -1.600 0.000) 3.629 2.578 ( 3.354 0.438 0.000) 3.383 2.623 ( -0.679 -0.962 0.000) 1.177 2.650 ( 2.673 4.500 0.000) 5.234 2.821 ( -5.268 2.030 0.000) 5.646 2.829 ( -1.574 6.318 0.000) 6.511 2.915 ( 4.021 3.814 0.000) 5.542 2.930 ( -3.206 0.817 0.000) 3.309 2.994 ( -0.695 2.817 0.000) 2.901 3.035 ( -1.245 3.532 0.000) 3.745 3.041 ( -6.682 0.997 0.000) 6.756 3.117 ( -3.912 3.870 0.000) 5.503 3.275 ( 3.775 4.016 0.000) 5.512 3.280 ( -3.844 2.724 0.000) 4.711 3.351 ( 0.437 2.313 0.000) 2.354 3.470 ( -0.290 1.762 0.000) 1.786 3.526 ( -1.009 -1.948 0.000) 2.194 3.602 ( -2.064 -7.434 0.000) 7.715 3.619 ( -0.291 -0.359 0.000) 0.463 3.725 ( 0.472 3.886 0.000) 3.915 3.726 ( 1.699 1.364 0.000) 2.178 3.804 ( 3.176 0.238 0.000) 3.185 3.897 ( 0.240 -2.577 0.000) 2.588 4.159 ( 9.267 -11.960 0.000) 15.130 4.619 ( -10.421 -12.958 0.000) 16.628 10.316 ( 0.954 0.295 0.000) 0.999 10.354 ( -0.816 -0.448 0.000) 0.930 10.411 ( 1.198 -0.609 0.000) 1.344 10.426 ( 3.993 1.243 0.000) 4.182 10.436 ( 0.289 -1.322 0.000) 1.354 10.510 ( 0.499 1.816 0.000) 1.883 10.511 ( -0.701 4.648 0.000) 4.701 10.624 ( -3.890 1.421 0.000) 4.142 14.675 ( -0.293 -0.621 0.000) 0.686 14.723 ( -1.789 -0.743 0.000) 1.938 14.762 ( 0.065 -0.782 0.000) 0.784 14.795 ( -0.898 -0.432 0.000) 0.996 14.976 ( 1.219 -0.436 0.000) 1.295 14.995 ( 0.747 0.091 0.000) 0.752 15.011 ( -0.500 1.033 0.000) 1.147 15.040 ( -1.294 -0.425 0.000) 1.362 15.142 ( -0.551 2.638 0.000) 2.695 15.178 ( -2.509 1.949 0.000) 3.177 15.273 ( -1.141 1.157 0.000) 1.625 15.288 ( -1.320 0.874 0.000) 1.583 19.824 ( 4.543 -2.854 0.000) 5.365 19.827 ( 4.854 -0.693 0.000) 4.903 20.052 ( 12.490 -15.133 0.000) 19.622 20.135 ( 4.320 -7.999 0.000) 9.091 28.783 ( 1.195 -1.783 0.000) 2.147 28.789 ( 0.573 -0.224 0.000) 0.615 28.851 ( 0.634 -1.752 0.000) 1.863 28.873 ( -0.286 -1.990 0.000) 2.011 33.346 ( 0.420 0.105 0.000) 0.433 33.364 ( -0.336 0.194 0.000) 0.388 33.629 ( 0.360 -4.017 0.000) 4.033 33.632 ( -0.054 -3.783 0.000) 3.783 33.885 ( 6.813 7.304 0.000) 9.988 33.959 ( 9.183 5.002 0.000) 10.457 34.372 ( -15.658 11.575 0.000) 19.472 34.492 ( -15.669 8.306 0.000) 17.734 ======================= Grid point 17 (12/60) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( -2.053 17.092 0.000) 17.214 1.236 ( 2.053 17.092 0.000) 17.214 1.360 ( -9.285 9.590 0.000) 13.348 1.360 ( 9.285 9.590 0.000) 13.348 1.461 ( -0.944 4.586 0.000) 4.682 1.461 ( 0.944 4.586 0.000) 4.682 1.830 ( -3.697 -0.453 0.000) 3.724 1.830 ( 3.697 -0.453 0.000) 3.724 1.893 ( -2.363 -3.205 0.000) 3.981 1.893 ( 2.363 -3.205 0.000) 3.981 1.984 ( -2.172 3.022 0.000) 3.721 1.984 ( 2.172 3.022 0.000) 3.721 2.027 ( -2.188 1.326 0.000) 2.559 2.027 ( 2.188 1.326 0.000) 2.559 2.100 ( -2.277 9.817 0.000) 10.078 2.100 ( 2.277 9.817 0.000) 10.078 2.192 ( -1.316 -2.226 0.000) 2.586 2.192 ( 1.316 -2.226 0.000) 2.586 2.279 ( -0.201 -2.928 0.000) 2.935 2.279 ( 0.201 -2.928 0.000) 2.935 2.342 ( -3.661 -2.636 0.000) 4.511 2.342 ( 3.661 -2.636 0.000) 4.511 2.489 ( -0.339 8.647 0.000) 8.654 2.489 ( 0.339 8.647 0.000) 8.654 2.622 ( -0.919 1.410 0.000) 1.684 2.622 ( 0.919 1.410 0.000) 1.684 2.730 ( -3.873 2.067 0.000) 4.390 2.730 ( 3.873 2.067 0.000) 4.390 2.827 ( -3.209 4.483 0.000) 5.513 2.827 ( 3.209 4.483 0.000) 5.513 2.949 ( -0.929 -1.110 0.000) 1.448 2.949 ( 0.929 -1.110 0.000) 1.448 3.036 ( -2.813 4.569 0.000) 5.366 3.036 ( 2.813 4.569 0.000) 5.366 3.137 ( -8.131 5.038 0.000) 9.565 3.137 ( 8.131 5.038 0.000) 9.565 3.339 ( -1.959 2.843 0.000) 3.452 3.339 ( 1.959 2.843 0.000) 3.452 3.486 ( -1.848 -0.163 0.000) 1.855 3.486 ( 1.848 -0.163 0.000) 1.855 3.601 ( -1.173 -6.344 0.000) 6.451 3.601 ( 1.173 -6.344 0.000) 6.451 3.739 ( -0.388 6.309 0.000) 6.321 3.739 ( 0.388 6.309 0.000) 6.321 3.869 ( -2.588 -1.750 0.000) 3.124 3.869 ( 2.588 -1.750 0.000) 3.124 4.380 ( -11.541 -13.324 0.000) 17.627 4.380 ( 11.541 -13.324 0.000) 17.627 10.336 ( -0.912 0.055 0.000) 0.913 10.336 ( 0.912 0.055 0.000) 0.913 10.430 ( -0.721 -0.560 0.000) 0.913 10.430 ( 0.721 -0.560 0.000) 0.913 10.501 ( -0.929 3.155 0.000) 3.289 10.501 ( 0.929 3.155 0.000) 3.289 10.535 ( -3.803 1.164 0.000) 3.977 10.535 ( 3.803 1.164 0.000) 3.977 14.688 ( -1.339 -0.939 0.000) 1.635 14.688 ( 1.339 -0.939 0.000) 1.635 14.774 ( -0.949 -0.668 0.000) 1.161 14.774 ( 0.949 -0.668 0.000) 1.161 15.000 ( -0.811 0.535 0.000) 0.972 15.000 ( 0.811 0.535 0.000) 0.972 15.012 ( -1.092 -0.344 0.000) 1.144 15.012 ( 1.092 -0.344 0.000) 1.144 15.143 ( -0.824 2.153 0.000) 2.305 15.143 ( 0.824 2.153 0.000) 2.305 15.267 ( -0.514 1.007 0.000) 1.131 15.267 ( 0.514 1.007 0.000) 1.131 19.879 ( -0.205 -1.800 0.000) 1.812 19.879 ( 0.205 -1.800 0.000) 1.812 20.184 ( -0.856 -11.770 0.000) 11.801 20.184 ( 0.856 -11.770 0.000) 11.801 28.796 ( -0.036 -1.045 0.000) 1.045 28.796 ( 0.036 -1.045 0.000) 1.045 28.864 ( -0.546 -2.090 0.000) 2.161 28.864 ( 0.546 -2.090 0.000) 2.161 33.356 ( -0.447 0.184 0.000) 0.483 33.356 ( 0.447 0.184 0.000) 0.483 33.631 ( -0.017 -3.715 0.000) 3.715 33.631 ( 0.017 -3.715 0.000) 3.715 34.077 ( -11.583 11.237 0.000) 16.138 34.077 ( 11.583 11.237 0.000) 16.138 34.196 ( -12.910 5.479 0.000) 14.025 34.196 ( 12.910 5.479 0.000) 14.025 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 0.000 5.395 0.000) 5.395 0.820 ( 0.000 -4.802 0.000) 4.802 1.072 ( 0.000 13.385 0.000) 13.385 1.391 ( 0.000 4.792 0.000) 4.792 1.613 ( 0.000 10.844 0.000) 10.844 1.646 ( 0.000 2.055 0.000) 2.055 1.761 ( 0.000 1.239 0.000) 1.239 1.826 ( 0.000 4.787 0.000) 4.787 1.839 ( 0.000 3.499 0.000) 3.499 1.933 ( 0.000 -1.077 0.000) 1.077 1.954 ( 0.000 -4.479 0.000) 4.479 1.957 ( 0.000 -1.430 0.000) 1.430 1.981 ( 0.000 -2.117 0.000) 2.117 2.044 ( 0.000 6.439 0.000) 6.439 2.064 ( 0.000 -3.194 0.000) 3.194 2.120 ( 0.000 0.066 0.000) 0.066 2.205 ( 0.000 8.584 0.000) 8.584 2.215 ( 0.000 13.450 0.000) 13.450 2.331 ( 0.000 3.959 0.000) 3.959 2.347 ( 0.000 1.396 0.000) 1.396 2.351 ( 0.000 0.060 0.000) 0.060 2.486 ( 0.000 11.748 0.000) 11.748 2.513 ( 0.000 10.969 0.000) 10.969 2.549 ( 0.000 -0.155 0.000) 0.155 2.564 ( 0.000 -7.582 0.000) 7.582 2.577 ( 0.000 -9.280 0.000) 9.280 2.807 ( 0.000 -1.159 0.000) 1.159 2.844 ( 0.000 7.971 0.000) 7.971 2.866 ( 0.000 -0.302 0.000) 0.302 2.986 ( 0.000 -6.279 0.000) 6.279 3.011 ( 0.000 -6.439 0.000) 6.439 3.083 ( 0.000 2.399 0.000) 2.399 3.157 ( 0.000 2.530 0.000) 2.530 3.185 ( 0.000 0.273 0.000) 0.273 3.211 ( 0.000 -1.852 0.000) 1.852 3.275 ( 0.000 2.657 0.000) 2.657 3.313 ( 0.000 6.417 0.000) 6.417 3.361 ( 0.000 -7.814 0.000) 7.814 3.430 ( 0.000 2.174 0.000) 2.174 3.479 ( 0.000 -1.701 0.000) 1.701 3.606 ( 0.000 -6.881 0.000) 6.881 3.638 ( 0.000 -4.376 0.000) 4.376 3.644 ( 0.000 1.686 0.000) 1.686 3.764 ( 0.000 11.836 0.000) 11.836 3.776 ( 0.000 -5.039 0.000) 5.039 3.857 ( 0.000 5.996 0.000) 5.996 3.863 ( 0.000 5.426 0.000) 5.426 4.528 ( 0.000 -18.018 0.000) 18.018 10.289 ( 0.000 0.204 0.000) 0.204 10.307 ( 0.000 -0.678 0.000) 0.678 10.367 ( 0.000 -0.809 0.000) 0.809 10.373 ( 0.000 -1.240 0.000) 1.240 10.429 ( 0.000 1.595 0.000) 1.595 10.467 ( 0.000 -0.206 0.000) 0.206 10.641 ( 0.000 4.908 0.000) 4.908 10.742 ( 0.000 0.314 0.000) 0.314 14.736 ( 0.000 0.367 0.000) 0.367 14.762 ( 0.000 -0.780 0.000) 0.780 14.768 ( 0.000 0.329 0.000) 0.329 14.799 ( 0.000 -0.687 0.000) 0.687 14.944 ( 0.000 0.361 0.000) 0.361 14.971 ( 0.000 -0.375 0.000) 0.375 15.059 ( 0.000 1.026 0.000) 1.026 15.068 ( 0.000 0.248 0.000) 0.248 15.235 ( 0.000 3.238 0.000) 3.238 15.318 ( 0.000 -0.378 0.000) 0.378 15.328 ( 0.000 -0.269 0.000) 0.269 15.333 ( 0.000 -0.977 0.000) 0.977 19.402 ( 0.000 3.658 0.000) 3.658 19.584 ( 0.000 -4.812 0.000) 4.812 19.685 ( 0.000 3.182 0.000) 3.182 19.882 ( 0.000 -6.025 0.000) 6.025 28.743 ( 0.000 1.182 0.000) 1.182 28.785 ( 0.000 0.931 0.000) 0.931 28.805 ( 0.000 -1.621 0.000) 1.621 28.841 ( 0.000 -1.771 0.000) 1.771 33.353 ( 0.000 1.881 0.000) 1.881 33.384 ( 0.000 1.355 0.000) 1.355 33.505 ( 0.000 -4.316 0.000) 4.316 33.528 ( 0.000 -5.901 0.000) 5.901 33.836 ( 0.000 3.025 0.000) 3.025 33.848 ( 0.000 2.455 0.000) 2.455 34.860 ( 0.000 7.246 0.000) 7.246 35.110 ( 0.000 -3.964 0.000) 3.964 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.17 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 14.885 4.327 0.000) 15.501 1.029 ( 16.711 -3.967 0.000) 17.176 1.146 ( 6.715 12.723 0.000) 14.387 1.428 ( 3.096 4.988 0.000) 5.871 1.620 ( 0.964 11.139 0.000) 11.180 1.701 ( 3.863 2.359 0.000) 4.526 1.749 ( -1.077 2.600 0.000) 2.814 1.824 ( -1.328 3.970 0.000) 4.186 1.855 ( 2.169 2.087 0.000) 3.010 1.924 ( -5.301 5.434 0.000) 7.591 1.977 ( 4.008 -0.368 0.000) 4.025 1.986 ( 3.390 -2.740 0.000) 4.359 2.033 ( 4.455 -3.854 0.000) 5.890 2.060 ( 0.857 2.126 0.000) 2.292 2.062 ( 0.077 -4.986 0.000) 4.986 2.121 ( 3.193 1.401 0.000) 3.486 2.202 ( -0.214 7.314 0.000) 7.317 2.206 ( -2.166 3.098 0.000) 3.780 2.326 ( -0.823 2.047 0.000) 2.206 2.347 ( 0.587 3.748 0.000) 3.794 2.373 ( -0.591 1.789 0.000) 1.884 2.429 ( -9.260 -1.859 0.000) 9.445 2.507 ( 1.127 6.416 0.000) 6.514 2.545 ( 0.935 2.052 0.000) 2.255 2.557 ( -0.515 -5.511 0.000) 5.535 2.561 ( 3.977 10.636 0.000) 11.356 2.799 ( -2.272 7.730 0.000) 8.057 2.858 ( 2.551 -2.260 0.000) 3.408 2.908 ( 2.458 0.855 0.000) 2.603 2.922 ( -3.758 -4.105 0.000) 5.565 3.020 ( -0.212 -4.649 0.000) 4.654 3.022 ( -4.552 4.097 0.000) 6.124 3.132 ( -2.182 0.241 0.000) 2.195 3.198 ( 0.549 0.555 0.000) 0.781 3.262 ( 3.013 -1.089 0.000) 3.203 3.298 ( -1.624 5.071 0.000) 5.325 3.310 ( 1.729 3.620 0.000) 4.012 3.371 ( 1.315 -6.052 0.000) 6.193 3.399 ( -1.760 1.806 0.000) 2.522 3.455 ( -2.010 -2.475 0.000) 3.189 3.565 ( -1.308 -4.772 0.000) 4.948 3.625 ( -0.588 -3.354 0.000) 3.405 3.640 ( -0.678 1.148 0.000) 1.334 3.774 ( -0.141 -3.552 0.000) 3.555 3.844 ( 4.621 6.666 0.000) 8.111 3.855 ( -0.273 5.341 0.000) 5.348 3.888 ( 2.335 1.970 0.000) 3.055 4.490 ( -3.931 -16.549 0.000) 17.010 10.302 ( 1.073 0.387 0.000) 1.140 10.329 ( 2.029 -0.931 0.000) 2.232 10.358 ( -0.396 -0.315 0.000) 0.506 10.386 ( 0.747 -1.629 0.000) 1.792 10.437 ( 0.851 1.869 0.000) 2.053 10.488 ( 1.758 -0.442 0.000) 1.813 10.629 ( -1.108 4.594 0.000) 4.726 10.717 ( -2.269 0.446 0.000) 2.312 14.716 ( -1.580 0.896 0.000) 1.816 14.753 ( -0.607 -0.824 0.000) 1.024 14.756 ( -1.053 0.579 0.000) 1.202 14.797 ( -0.288 -0.785 0.000) 0.836 14.952 ( 0.723 0.371 0.000) 0.813 14.978 ( 0.663 -0.345 0.000) 0.747 15.051 ( -0.663 1.210 0.000) 1.380 15.061 ( -0.705 0.278 0.000) 0.758 15.221 ( -1.219 3.014 0.000) 3.251 15.270 ( -3.381 0.678 0.000) 3.448 15.312 ( -1.714 -0.857 0.000) 1.916 15.315 ( -1.312 -0.820 0.000) 1.547 19.558 ( 12.636 -0.868 0.000) 12.666 19.650 ( 5.739 -3.972 0.000) 6.979 19.736 ( 4.274 2.442 0.000) 4.923 19.917 ( 2.968 -6.078 0.000) 6.764 28.751 ( 0.717 0.847 0.000) 1.109 28.787 ( 0.210 0.791 0.000) 0.818 28.809 ( 0.331 -1.622 0.000) 1.655 28.840 ( -0.107 -1.731 0.000) 1.734 33.356 ( 0.283 1.879 0.000) 1.900 33.385 ( 0.001 1.508 0.000) 1.508 33.515 ( 0.813 -4.644 0.000) 4.715 33.528 ( 0.060 -5.807 0.000) 5.807 33.877 ( 4.083 3.639 0.000) 5.469 33.898 ( 4.852 2.717 0.000) 5.561 34.770 ( -8.256 6.942 0.000) 10.787 34.961 ( -13.011 -0.547 0.000) 13.022 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.33 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 16.984 4.537 0.000) 17.580 1.332 ( 10.321 10.570 0.000) 14.773 1.394 ( 15.309 -1.897 0.000) 15.426 1.497 ( 2.842 6.570 0.000) 7.158 1.633 ( -0.027 11.469 0.000) 11.469 1.728 ( -0.524 2.156 0.000) 2.219 1.774 ( -6.211 11.768 0.000) 13.306 1.792 ( 4.528 0.875 0.000) 4.612 1.810 ( -1.339 0.663 0.000) 1.495 1.901 ( 0.792 0.917 0.000) 1.211 1.988 ( -1.920 -1.570 0.000) 2.480 2.027 ( -2.374 -0.880 0.000) 2.532 2.053 ( -1.645 -6.807 0.000) 7.003 2.112 ( 3.563 -3.801 0.000) 5.210 2.116 ( 0.672 0.493 0.000) 0.834 2.143 ( -1.529 -1.140 0.000) 1.907 2.186 ( -1.999 -0.234 0.000) 2.012 2.219 ( 3.858 -1.312 0.000) 4.075 2.275 ( -3.009 0.584 0.000) 3.065 2.279 ( -3.440 -2.730 0.000) 4.392 2.332 ( -0.429 4.376 0.000) 4.397 2.343 ( -1.134 7.665 0.000) 7.749 2.565 ( 3.925 1.593 0.000) 4.236 2.572 ( 2.131 -1.401 0.000) 2.550 2.595 ( 4.018 5.090 0.000) 6.485 2.684 ( 5.959 13.292 0.000) 14.567 2.774 ( 0.127 7.617 0.000) 7.618 2.855 ( -2.224 0.416 0.000) 2.263 2.876 ( -0.714 -2.684 0.000) 2.778 2.905 ( -3.824 1.156 0.000) 3.995 2.961 ( -1.015 1.628 0.000) 1.919 3.036 ( 0.998 -1.416 0.000) 1.733 3.108 ( 1.913 1.428 0.000) 2.387 3.128 ( -4.980 6.732 0.000) 8.374 3.232 ( -3.493 3.938 0.000) 5.263 3.302 ( -1.602 -0.725 0.000) 1.758 3.352 ( 1.682 1.105 0.000) 2.012 3.386 ( 0.156 0.815 0.000) 0.830 3.419 ( 2.741 -1.951 0.000) 3.364 3.430 ( 0.618 -4.139 0.000) 4.185 3.525 ( -2.118 -0.880 0.000) 2.293 3.598 ( -3.343 1.294 0.000) 3.584 3.664 ( 3.507 -6.192 0.000) 7.116 3.778 ( -0.219 -5.313 0.000) 5.318 3.857 ( 1.202 5.517 0.000) 5.646 3.906 ( 1.098 4.012 0.000) 4.160 3.965 ( 5.475 -4.247 0.000) 6.929 4.352 ( -9.057 -13.239 0.000) 16.041 10.325 ( 1.019 0.706 0.000) 1.240 10.351 ( -0.302 0.278 0.000) 0.410 10.377 ( 1.892 -1.774 0.000) 2.594 10.399 ( 0.400 -1.911 0.000) 1.953 10.474 ( 2.877 2.376 0.000) 3.731 10.529 ( 1.955 0.059 0.000) 1.955 10.599 ( -1.713 3.584 0.000) 3.972 10.651 ( -3.890 0.866 0.000) 3.985 14.689 ( -0.640 1.471 0.000) 1.604 14.727 ( -1.626 1.024 0.000) 1.921 14.746 ( 0.078 -0.951 0.000) 0.955 14.783 ( -1.024 -0.929 0.000) 1.383 14.974 ( 1.374 0.382 0.000) 1.426 14.996 ( 1.020 -0.135 0.000) 1.029 15.036 ( -0.814 1.113 0.000) 1.379 15.039 ( -1.304 0.351 0.000) 1.350 15.194 ( -1.120 2.538 0.000) 2.774 15.208 ( -2.180 1.427 0.000) 2.605 15.277 ( -1.256 -0.837 0.000) 1.509 15.285 ( -1.355 -1.247 0.000) 1.841 19.772 ( 6.067 -1.879 0.000) 6.352 19.828 ( 3.503 1.002 0.000) 3.643 19.837 ( 10.686 -6.573 0.000) 12.545 19.982 ( 2.428 -6.622 0.000) 7.053 28.770 ( 0.949 0.291 0.000) 0.993 28.791 ( 0.044 0.448 0.000) 0.450 28.818 ( 0.459 -1.594 0.000) 1.658 28.836 ( -0.296 -1.649 0.000) 1.675 33.364 ( 0.471 1.873 0.000) 1.932 33.382 ( -0.240 1.739 0.000) 1.756 33.530 ( 0.414 -5.086 0.000) 5.103 33.530 ( 0.130 -5.579 0.000) 5.581 34.014 ( 9.020 5.009 0.000) 10.317 34.054 ( 9.918 3.359 0.000) 10.472 34.537 ( -13.228 6.519 0.000) 14.747 34.634 ( -16.506 3.682 0.000) 16.911 ======================= Grid point 24 (16/60) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -6.526 7.568 0.000) 9.993 1.488 ( 6.526 7.568 0.000) 9.993 1.533 ( -5.365 5.171 0.000) 7.451 1.533 ( 5.365 5.171 0.000) 7.451 1.628 ( -1.767 12.479 0.000) 12.604 1.628 ( 1.767 12.479 0.000) 12.604 1.789 ( -6.149 -2.369 0.000) 6.589 1.789 ( 6.149 -2.369 0.000) 6.589 1.855 ( -1.214 -1.089 0.000) 1.630 1.855 ( 1.214 -1.089 0.000) 1.630 1.973 ( -3.655 -2.136 0.000) 4.234 1.973 ( 3.655 -2.136 0.000) 4.234 2.050 ( -3.922 -1.924 0.000) 4.369 2.050 ( 3.922 -1.924 0.000) 4.369 2.134 ( -0.960 -1.830 0.000) 2.066 2.134 ( 0.960 -1.830 0.000) 2.066 2.201 ( -2.692 -2.961 0.000) 4.002 2.201 ( 2.692 -2.961 0.000) 4.002 2.263 ( -0.244 -0.046 0.000) 0.249 2.263 ( 0.244 -0.046 0.000) 0.249 2.340 ( -0.132 7.191 0.000) 7.192 2.340 ( 0.132 7.191 0.000) 7.192 2.608 ( -0.331 -2.127 0.000) 2.153 2.608 ( 0.331 -2.127 0.000) 2.153 2.705 ( -4.720 9.837 0.000) 10.911 2.705 ( 4.720 9.837 0.000) 10.911 2.807 ( -2.477 4.683 0.000) 5.298 2.807 ( 2.477 4.683 0.000) 5.298 2.878 ( -0.388 -1.494 0.000) 1.543 2.878 ( 0.388 -1.494 0.000) 1.543 2.951 ( -4.207 3.666 0.000) 5.581 2.951 ( 4.207 3.666 0.000) 5.581 3.150 ( -4.021 5.295 0.000) 6.649 3.150 ( 4.021 5.295 0.000) 6.649 3.209 ( -5.769 0.344 0.000) 5.779 3.209 ( 5.769 0.344 0.000) 5.779 3.380 ( -0.939 0.155 0.000) 0.952 3.380 ( 0.939 0.155 0.000) 0.952 3.452 ( -0.477 -1.976 0.000) 2.032 3.452 ( 0.477 -1.976 0.000) 2.032 3.523 ( -2.797 1.043 0.000) 2.985 3.523 ( 2.797 1.043 0.000) 2.985 3.738 ( -3.128 -6.023 0.000) 6.786 3.738 ( 3.128 -6.023 0.000) 6.786 3.897 ( -1.665 3.461 0.000) 3.840 3.897 ( 1.665 3.461 0.000) 3.840 4.137 ( -10.368 -9.435 0.000) 14.018 4.137 ( 10.368 -9.435 0.000) 14.018 10.343 ( -0.584 0.671 0.000) 0.890 10.343 ( 0.584 0.671 0.000) 0.890 10.400 ( -0.427 -1.926 0.000) 1.973 10.400 ( 0.427 -1.926 0.000) 1.973 10.551 ( -3.603 2.032 0.000) 4.136 10.551 ( 3.603 2.032 0.000) 4.136 10.571 ( -2.576 1.438 0.000) 2.951 10.571 ( 2.576 1.438 0.000) 2.951 14.695 ( -1.147 1.365 0.000) 1.783 14.695 ( 1.147 1.365 0.000) 1.783 14.759 ( -1.076 -1.005 0.000) 1.473 14.759 ( 1.076 -1.005 0.000) 1.473 15.007 ( -1.633 0.400 0.000) 1.681 15.007 ( 1.633 0.400 0.000) 1.681 15.018 ( -0.988 0.420 0.000) 1.073 15.018 ( 0.988 0.420 0.000) 1.073 15.183 ( -0.233 1.992 0.000) 2.006 15.183 ( 0.233 1.992 0.000) 2.006 15.266 ( -0.262 -1.121 0.000) 1.151 15.266 ( 0.262 -1.121 0.000) 1.151 19.854 ( -1.362 -0.315 0.000) 1.398 19.854 ( 1.362 -0.315 0.000) 1.398 19.984 ( -3.046 -7.549 0.000) 8.141 19.984 ( 3.046 -7.549 0.000) 8.141 28.786 ( -0.525 0.155 0.000) 0.548 28.786 ( 0.525 0.155 0.000) 0.548 28.828 ( -0.442 -1.584 0.000) 1.644 28.828 ( 0.442 -1.584 0.000) 1.644 33.375 ( -0.464 1.848 0.000) 1.905 33.375 ( 0.464 1.848 0.000) 1.905 33.533 ( -0.049 -5.336 0.000) 5.336 33.533 ( 0.049 -5.336 0.000) 5.336 34.250 ( -13.111 6.241 0.000) 14.521 34.250 ( 13.111 6.241 0.000) 14.521 34.308 ( -14.076 4.078 0.000) 14.655 34.308 ( 14.076 4.078 0.000) 14.655 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( 0.000 -2.483 0.000) 2.483 0.752 ( 0.000 2.483 0.000) 2.483 1.307 ( 0.000 -9.368 0.000) 9.368 1.307 ( 0.000 9.368 0.000) 9.368 1.767 ( 0.000 -2.042 0.000) 2.042 1.767 ( 0.000 2.042 0.000) 2.042 1.811 ( 0.000 -3.372 0.000) 3.372 1.811 ( 0.000 3.372 0.000) 3.372 1.846 ( 0.000 -2.915 0.000) 2.915 1.846 ( 0.000 2.915 0.000) 2.915 1.951 ( 0.000 -1.230 0.000) 1.230 1.951 ( 0.000 1.230 0.000) 1.230 1.988 ( 0.000 -4.281 0.000) 4.281 1.988 ( 0.000 4.281 0.000) 4.281 2.100 ( 0.000 -1.942 0.000) 1.942 2.100 ( 0.000 1.942 0.000) 1.942 2.354 ( 0.000 -0.264 0.000) 0.264 2.354 ( 0.000 0.264 0.000) 0.264 2.381 ( 0.000 -6.928 0.000) 6.928 2.381 ( 0.000 6.928 0.000) 6.928 2.426 ( 0.000 -3.103 0.000) 3.103 2.426 ( 0.000 3.103 0.000) 3.103 2.478 ( 0.000 -7.871 0.000) 7.871 2.478 ( 0.000 7.871 0.000) 7.871 2.731 ( 0.000 -10.584 0.000) 10.584 2.731 ( 0.000 10.584 0.000) 10.584 2.760 ( 0.000 -13.422 0.000) 13.422 2.760 ( 0.000 13.422 0.000) 13.422 2.869 ( 0.000 -6.010 0.000) 6.010 2.869 ( 0.000 6.010 0.000) 6.010 3.023 ( 0.000 -7.865 0.000) 7.865 3.023 ( 0.000 7.865 0.000) 7.865 3.192 ( 0.000 -0.359 0.000) 0.359 3.192 ( 0.000 0.359 0.000) 0.359 3.204 ( 0.000 -3.436 0.000) 3.436 3.204 ( 0.000 3.436 0.000) 3.436 3.384 ( 0.000 -3.116 0.000) 3.116 3.384 ( 0.000 3.116 0.000) 3.116 3.461 ( 0.000 -0.883 0.000) 0.883 3.461 ( 0.000 0.883 0.000) 0.883 3.537 ( 0.000 -3.409 0.000) 3.409 3.537 ( 0.000 3.409 0.000) 3.409 3.692 ( 0.000 -3.154 0.000) 3.154 3.692 ( 0.000 3.154 0.000) 3.154 3.924 ( 0.000 -0.095 0.000) 0.095 3.924 ( 0.000 0.095 0.000) 0.095 4.129 ( 0.000 -20.485 0.000) 20.485 4.129 ( 0.000 20.485 0.000) 20.485 10.295 ( 0.000 -0.467 0.000) 0.467 10.295 ( 0.000 0.467 0.000) 0.467 10.359 ( 0.000 -0.152 0.000) 0.152 10.359 ( 0.000 0.152 0.000) 0.152 10.456 ( 0.000 -0.939 0.000) 0.939 10.456 ( 0.000 0.939 0.000) 0.939 10.719 ( 0.000 -2.543 0.000) 2.543 10.719 ( 0.000 2.543 0.000) 2.543 14.746 ( 0.000 -0.665 0.000) 0.665 14.746 ( 0.000 0.665 0.000) 0.665 14.782 ( 0.000 -0.880 0.000) 0.880 14.782 ( 0.000 0.880 0.000) 0.880 14.958 ( 0.000 -0.809 0.000) 0.809 14.958 ( 0.000 0.809 0.000) 0.809 15.072 ( 0.000 -0.121 0.000) 0.121 15.072 ( 0.000 0.121 0.000) 0.121 15.295 ( 0.000 -2.530 0.000) 2.530 15.295 ( 0.000 2.530 0.000) 2.530 15.318 ( 0.000 -0.392 0.000) 0.392 15.318 ( 0.000 0.392 0.000) 0.392 19.487 ( 0.000 -4.595 0.000) 4.595 19.487 ( 0.000 4.595 0.000) 4.595 19.769 ( 0.000 -4.963 0.000) 4.963 19.769 ( 0.000 4.963 0.000) 4.963 28.772 ( 0.000 -1.603 0.000) 1.603 28.772 ( 0.000 1.603 0.000) 1.603 28.808 ( 0.000 -1.388 0.000) 1.388 28.808 ( 0.000 1.388 0.000) 1.388 33.418 ( 0.000 -4.485 0.000) 4.485 33.418 ( 0.000 4.485 0.000) 4.485 33.429 ( 0.000 -3.030 0.000) 3.030 33.429 ( 0.000 3.030 0.000) 3.030 33.871 ( 0.000 -0.297 0.000) 0.297 33.871 ( 0.000 0.297 0.000) 0.297 35.004 ( 0.000 -6.409 0.000) 6.409 35.004 ( 0.000 6.409 0.000) 6.409 ======================= Grid point 30 (18/60) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 15.795 -4.384 0.000) 16.392 0.945 ( 15.795 4.384 0.000) 16.392 1.366 ( 5.291 -8.379 0.000) 9.910 1.366 ( 5.291 8.379 0.000) 9.910 1.795 ( 2.063 -3.954 0.000) 4.460 1.795 ( 2.063 3.954 0.000) 4.460 1.813 ( -0.363 -3.432 0.000) 3.451 1.813 ( -0.363 3.432 0.000) 3.451 1.874 ( 1.750 -6.932 0.000) 7.149 1.874 ( 1.750 6.932 0.000) 7.149 1.964 ( 0.551 -0.261 0.000) 0.609 1.964 ( 0.551 0.261 0.000) 0.609 2.000 ( 1.881 -1.812 0.000) 2.612 2.000 ( 1.881 1.812 0.000) 2.612 2.105 ( 1.137 -2.241 0.000) 2.513 2.105 ( 1.137 2.241 0.000) 2.513 2.294 ( -4.738 -3.531 0.000) 5.909 2.294 ( -4.738 3.531 0.000) 5.909 2.341 ( -5.194 -4.749 0.000) 7.038 2.341 ( -5.194 4.749 0.000) 7.038 2.425 ( 1.470 -2.844 0.000) 3.201 2.425 ( 1.470 2.844 0.000) 3.201 2.484 ( 0.342 -5.843 0.000) 5.853 2.484 ( 0.342 5.843 0.000) 5.853 2.754 ( 0.002 -11.709 0.000) 11.709 2.754 ( 0.002 11.709 0.000) 11.709 2.777 ( 3.713 -8.559 0.000) 9.330 2.777 ( 3.713 8.559 0.000) 9.330 2.893 ( 2.078 -5.435 0.000) 5.819 2.893 ( 2.078 5.435 0.000) 5.819 3.011 ( -1.229 -6.688 0.000) 6.800 3.011 ( -1.229 6.688 0.000) 6.800 3.165 ( -2.782 -5.547 0.000) 6.206 3.165 ( -2.782 5.547 0.000) 6.206 3.224 ( 2.482 -1.935 0.000) 3.147 3.224 ( 2.482 1.935 0.000) 3.147 3.418 ( 2.343 -3.689 0.000) 4.370 3.418 ( 2.343 3.689 0.000) 4.370 3.429 ( -2.752 -1.060 0.000) 2.949 3.429 ( -2.752 1.060 0.000) 2.949 3.514 ( -1.269 -5.719 0.000) 5.858 3.514 ( -1.269 5.719 0.000) 5.858 3.684 ( -0.803 -3.390 0.000) 3.484 3.684 ( -0.803 3.390 0.000) 3.484 3.922 ( -0.077 -0.575 0.000) 0.580 3.922 ( -0.077 0.575 0.000) 0.580 4.130 ( -0.489 -17.983 0.000) 17.990 4.130 ( -0.489 17.983 0.000) 17.990 10.313 ( 1.471 -0.666 0.000) 1.615 10.313 ( 1.471 0.666 0.000) 1.615 10.362 ( 0.225 -0.711 0.000) 0.746 10.362 ( 0.225 0.711 0.000) 0.746 10.470 ( 1.403 -1.287 0.000) 1.904 10.470 ( 1.403 1.287 0.000) 1.904 10.700 ( -1.784 -2.206 0.000) 2.838 10.700 ( -1.784 2.206 0.000) 2.838 14.735 ( -0.884 -0.919 0.000) 1.275 14.735 ( -0.884 0.919 0.000) 1.275 14.776 ( -0.592 -1.162 0.000) 1.304 14.776 ( -0.592 1.162 0.000) 1.304 14.966 ( 0.721 -0.810 0.000) 1.085 14.966 ( 0.721 0.810 0.000) 1.085 15.065 ( -0.613 -0.097 0.000) 0.621 15.065 ( -0.613 0.097 0.000) 0.621 15.277 ( -1.533 -2.376 0.000) 2.828 15.277 ( -1.533 2.376 0.000) 2.828 15.290 ( -2.224 -1.327 0.000) 2.590 15.290 ( -2.224 1.327 0.000) 2.590 19.580 ( 7.937 -2.580 0.000) 8.346 19.580 ( 7.937 2.580 0.000) 8.346 19.807 ( 3.246 -4.540 0.000) 5.581 19.807 ( 3.246 4.540 0.000) 5.581 28.776 ( 0.402 -1.527 0.000) 1.579 28.776 ( 0.402 1.527 0.000) 1.579 28.809 ( 0.007 -1.300 0.000) 1.300 28.809 ( 0.007 1.300 0.000) 1.300 33.420 ( 0.220 -4.418 0.000) 4.423 33.420 ( 0.220 4.418 0.000) 4.423 33.433 ( 0.331 -3.286 0.000) 3.302 33.433 ( 0.331 3.286 0.000) 3.302 33.921 ( 4.877 -0.551 0.000) 4.908 33.921 ( 4.877 0.551 0.000) 4.908 34.899 ( -9.527 -5.134 0.000) 10.822 34.899 ( -9.527 5.134 0.000) 10.822 ======================= Grid point 32 (19/60) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 17.360 -5.265 0.000) 18.141 1.312 ( 17.360 5.265 0.000) 18.141 1.503 ( 6.858 -5.304 0.000) 8.670 1.503 ( 6.858 5.304 0.000) 8.670 1.785 ( -2.144 -2.853 0.000) 3.569 1.785 ( -2.144 2.853 0.000) 3.569 1.831 ( 0.396 -5.074 0.000) 5.089 1.831 ( 0.396 5.074 0.000) 5.089 1.889 ( 0.292 -3.824 0.000) 3.836 1.889 ( 0.292 3.824 0.000) 3.836 1.947 ( -1.869 -3.970 0.000) 4.388 1.947 ( -1.869 3.970 0.000) 4.388 2.041 ( -0.507 -2.972 0.000) 3.015 2.041 ( -0.507 2.972 0.000) 3.015 2.126 ( -2.356 -2.267 0.000) 3.270 2.126 ( -2.356 2.267 0.000) 3.270 2.210 ( -0.745 -2.198 0.000) 2.321 2.210 ( -0.745 2.198 0.000) 2.321 2.222 ( -3.170 -3.459 0.000) 4.691 2.222 ( -3.170 3.459 0.000) 4.691 2.476 ( 2.722 -6.767 0.000) 7.294 2.476 ( 2.722 6.767 0.000) 7.294 2.496 ( 0.917 -6.184 0.000) 6.252 2.496 ( 0.917 6.184 0.000) 6.252 2.771 ( 1.679 -6.908 0.000) 7.109 2.771 ( 1.679 6.908 0.000) 7.109 2.845 ( 1.625 -4.073 0.000) 4.386 2.845 ( 1.625 4.073 0.000) 4.386 2.939 ( 1.756 -6.355 0.000) 6.593 2.939 ( 1.756 6.355 0.000) 6.593 2.973 ( -1.926 -4.161 0.000) 4.585 2.973 ( -1.926 4.161 0.000) 4.585 3.130 ( 0.309 -5.635 0.000) 5.644 3.130 ( 0.309 5.635 0.000) 5.644 3.250 ( -1.507 -4.617 0.000) 4.857 3.250 ( -1.507 4.617 0.000) 4.857 3.390 ( 0.668 -1.034 0.000) 1.231 3.390 ( 0.668 1.034 0.000) 1.231 3.457 ( 0.813 -4.045 0.000) 4.126 3.457 ( 0.813 4.045 0.000) 4.126 3.515 ( 1.670 -5.334 0.000) 5.590 3.515 ( 1.670 5.334 0.000) 5.590 3.650 ( -2.563 -4.423 0.000) 5.112 3.650 ( -2.563 4.423 0.000) 5.112 3.931 ( 1.332 -1.864 0.000) 2.291 3.931 ( 1.332 1.864 0.000) 2.291 4.085 ( -3.848 -12.379 0.000) 12.963 4.085 ( -3.848 12.379 0.000) 12.963 10.345 ( 1.341 -1.263 0.000) 1.842 10.345 ( 1.341 1.263 0.000) 1.842 10.366 ( 0.140 -1.219 0.000) 1.227 10.366 ( 0.140 1.219 0.000) 1.227 10.514 ( 2.723 -1.456 0.000) 3.088 10.514 ( 2.723 1.456 0.000) 3.088 10.648 ( -3.009 -1.248 0.000) 3.258 10.648 ( -3.009 1.248 0.000) 3.258 14.721 ( -0.233 -1.488 0.000) 1.506 14.721 ( -0.233 1.488 0.000) 1.506 14.756 ( -1.226 -1.584 0.000) 2.003 14.756 ( -1.226 1.584 0.000) 2.003 14.987 ( 1.293 -0.710 0.000) 1.476 14.987 ( 1.293 0.710 0.000) 1.476 15.047 ( -1.179 -0.127 0.000) 1.186 15.047 ( -1.179 0.127 0.000) 1.186 15.244 ( -1.369 -2.224 0.000) 2.611 15.244 ( -1.369 2.224 0.000) 2.611 15.246 ( -1.650 -2.207 0.000) 2.755 15.246 ( -1.650 2.207 0.000) 2.755 19.762 ( 8.005 -1.213 0.000) 8.096 19.762 ( 8.005 1.213 0.000) 8.096 19.875 ( 2.404 -3.772 0.000) 4.473 19.875 ( 2.404 3.772 0.000) 4.473 28.788 ( 0.613 -1.304 0.000) 1.441 28.788 ( 0.613 1.304 0.000) 1.441 28.807 ( -0.189 -1.127 0.000) 1.143 28.807 ( -0.189 1.127 0.000) 1.143 33.427 ( 0.370 -4.250 0.000) 4.266 33.427 ( 0.370 4.250 0.000) 4.266 33.438 ( 0.032 -3.719 0.000) 3.719 33.438 ( 0.032 3.719 0.000) 3.719 34.078 ( 10.014 -1.061 0.000) 10.070 34.078 ( 10.014 1.061 0.000) 10.070 34.638 ( -14.345 -2.893 0.000) 14.634 34.638 ( -14.345 2.893 0.000) 14.634 ======================= Grid point 34 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -3.832 -1.364 0.000) 4.068 1.582 ( -3.832 1.364 0.000) 4.068 1.582 ( 3.832 -1.364 0.000) 4.068 1.582 ( 3.832 1.364 0.000) 4.068 1.763 ( -3.223 -0.617 0.000) 3.282 1.763 ( -3.223 0.617 0.000) 3.282 1.763 ( 3.223 -0.617 0.000) 3.282 1.763 ( 3.223 0.617 0.000) 3.282 1.908 ( -1.451 -5.680 0.000) 5.862 1.908 ( 1.451 -5.680 0.000) 5.862 1.908 ( -1.451 5.680 0.000) 5.862 1.908 ( 1.451 5.680 0.000) 5.862 2.040 ( -3.119 -4.013 0.000) 5.083 2.040 ( 3.119 -4.013 0.000) 5.083 2.040 ( -3.119 4.013 0.000) 5.083 2.040 ( 3.119 4.013 0.000) 5.083 2.218 ( -0.329 -2.665 0.000) 2.685 2.218 ( 0.329 -2.665 0.000) 2.685 2.218 ( -0.329 2.665 0.000) 2.685 2.218 ( 0.329 2.665 0.000) 2.685 2.510 ( -0.178 -7.343 0.000) 7.345 2.510 ( 0.178 -7.343 0.000) 7.345 2.510 ( -0.178 7.343 0.000) 7.345 2.510 ( 0.178 7.343 0.000) 7.345 2.823 ( -2.807 -2.992 0.000) 4.102 2.823 ( 2.807 -2.992 0.000) 4.102 2.823 ( -2.807 2.992 0.000) 4.102 2.823 ( 2.807 2.992 0.000) 4.102 2.956 ( -0.084 -6.320 0.000) 6.321 2.956 ( 0.084 -6.320 0.000) 6.321 2.956 ( -0.084 6.320 0.000) 6.321 2.956 ( 0.084 6.320 0.000) 6.321 3.180 ( -3.746 -1.269 0.000) 3.955 3.180 ( -3.746 1.269 0.000) 3.955 3.180 ( 3.746 -1.269 0.000) 3.955 3.180 ( 3.746 1.269 0.000) 3.955 3.438 ( -2.358 -3.231 0.000) 4.000 3.438 ( 2.358 -3.231 0.000) 4.000 3.438 ( -2.358 3.231 0.000) 4.000 3.438 ( 2.358 3.231 0.000) 4.000 3.579 ( -3.823 -6.030 0.000) 7.139 3.579 ( 3.823 -6.030 0.000) 7.139 3.579 ( -3.823 6.030 0.000) 7.139 3.579 ( 3.823 6.030 0.000) 7.139 3.991 ( -4.282 -5.743 0.000) 7.164 3.991 ( 4.282 -5.743 0.000) 7.164 3.991 ( -4.282 5.743 0.000) 7.164 3.991 ( 4.282 5.743 0.000) 7.164 10.364 ( -0.440 -1.452 0.000) 1.517 10.364 ( 0.440 -1.452 0.000) 1.517 10.364 ( -0.440 1.452 0.000) 1.517 10.364 ( 0.440 1.452 0.000) 1.517 10.580 ( -3.361 -0.608 0.000) 3.416 10.580 ( -3.361 0.608 0.000) 3.416 10.580 ( 3.361 -0.608 0.000) 3.416 10.580 ( 3.361 0.608 0.000) 3.416 14.730 ( -1.034 -1.748 0.000) 2.031 14.730 ( 1.034 -1.748 0.000) 2.031 14.730 ( -1.034 1.748 0.000) 2.031 14.730 ( 1.034 1.748 0.000) 2.031 15.018 ( -1.503 -0.468 0.000) 1.574 15.018 ( -1.503 0.468 0.000) 1.574 15.018 ( 1.503 -0.468 0.000) 1.574 15.018 ( 1.503 0.468 0.000) 1.574 15.228 ( -0.007 -2.327 0.000) 2.327 15.228 ( 0.007 -2.327 0.000) 2.327 15.228 ( -0.007 2.327 0.000) 2.327 15.228 ( 0.007 2.327 0.000) 2.327 19.878 ( -2.616 -2.965 0.000) 3.954 19.878 ( 2.616 -2.965 0.000) 3.954 19.878 ( -2.616 2.965 0.000) 3.954 19.878 ( 2.616 2.965 0.000) 3.954 28.800 ( -0.496 -1.096 0.000) 1.203 28.800 ( 0.496 -1.096 0.000) 1.203 28.800 ( -0.496 1.096 0.000) 1.203 28.800 ( 0.496 1.096 0.000) 1.203 33.434 ( -0.314 -4.027 0.000) 4.039 33.434 ( 0.314 -4.027 0.000) 4.039 33.434 ( -0.314 4.027 0.000) 4.039 33.434 ( 0.314 4.027 0.000) 4.039 34.333 ( -13.880 -1.641 0.000) 13.977 34.333 ( -13.880 1.641 0.000) 13.977 34.333 ( 13.880 -1.641 0.000) 13.977 34.333 ( 13.880 1.641 0.000) 13.977 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 0.000 0.000 14.311) 14.311 0.372 ( 0.000 0.000 19.276) 19.276 0.719 ( 0.000 0.000 -1.783) 1.783 0.738 ( 0.000 0.000 37.820) 37.820 1.200 ( 0.000 0.000 2.798) 2.798 1.228 ( 0.000 0.000 -6.329) 6.329 1.491 ( 0.000 0.000 -4.946) 4.946 1.651 ( 0.000 0.000 2.034) 2.034 1.722 ( 0.000 0.000 7.047) 7.047 1.800 ( 0.000 0.000 -0.315) 0.315 1.830 ( 0.000 0.000 -0.887) 0.887 1.888 ( 0.000 0.000 6.467) 6.467 1.890 ( 0.000 0.000 -1.249) 1.249 1.957 ( 0.000 0.000 3.757) 3.757 1.993 ( 0.000 0.000 1.861) 1.861 2.001 ( 0.000 0.000 7.315) 7.315 2.084 ( 0.000 0.000 -0.887) 0.887 2.119 ( 0.000 0.000 2.163) 2.163 2.197 ( 0.000 0.000 -4.484) 4.484 2.215 ( 0.000 0.000 -2.532) 2.532 2.311 ( 0.000 0.000 -3.775) 3.775 2.353 ( 0.000 0.000 0.928) 0.928 2.442 ( 0.000 0.000 0.597) 0.597 2.491 ( 0.000 0.000 -4.293) 4.293 2.502 ( 0.000 0.000 -3.002) 3.002 2.520 ( 0.000 0.000 -6.312) 6.312 2.668 ( 0.000 0.000 -5.257) 5.257 2.693 ( 0.000 0.000 -5.236) 5.236 2.847 ( 0.000 0.000 2.391) 2.391 2.985 ( 0.000 0.000 -1.720) 1.720 2.989 ( 0.000 0.000 -1.519) 1.519 3.026 ( 0.000 0.000 3.172) 3.172 3.110 ( 0.000 0.000 -0.974) 0.974 3.112 ( 0.000 0.000 -1.960) 1.960 3.169 ( 0.000 0.000 -0.737) 0.737 3.183 ( 0.000 0.000 0.553) 0.553 3.190 ( 0.000 0.000 0.537) 0.537 3.322 ( 0.000 0.000 -3.311) 3.311 3.441 ( 0.000 0.000 0.178) 0.178 3.521 ( 0.000 0.000 0.900) 0.900 3.545 ( 0.000 0.000 4.888) 4.888 3.559 ( 0.000 0.000 0.298) 0.298 3.687 ( 0.000 0.000 -3.642) 3.642 3.732 ( 0.000 0.000 -6.919) 6.919 3.869 ( 0.000 0.000 0.839) 0.839 4.027 ( 0.000 0.000 -2.540) 2.540 4.314 ( 0.000 0.000 16.813) 16.813 5.042 ( 0.000 0.000 -5.931) 5.931 10.316 ( 0.000 0.000 0.132) 0.132 10.321 ( 0.000 0.000 0.723) 0.723 10.327 ( 0.000 0.000 -0.148) 0.148 10.350 ( 0.000 0.000 0.401) 0.401 10.454 ( 0.000 0.000 0.392) 0.392 10.484 ( 0.000 0.000 -0.345) 0.345 10.497 ( 0.000 0.000 0.538) 0.538 10.601 ( 0.000 0.000 -1.626) 1.626 14.738 ( 0.000 0.000 0.598) 0.598 14.788 ( 0.000 0.000 0.099) 0.099 14.808 ( 0.000 0.000 -1.261) 1.261 14.823 ( 0.000 0.000 -0.685) 0.685 14.978 ( 0.000 0.000 0.193) 0.193 14.991 ( 0.000 0.000 -0.136) 0.136 15.050 ( 0.000 0.000 2.149) 2.149 15.079 ( 0.000 0.000 0.265) 0.265 15.100 ( 0.000 0.000 -0.233) 0.233 15.222 ( 0.000 0.000 -3.009) 3.009 15.310 ( 0.000 0.000 1.354) 1.354 15.314 ( 0.000 0.000 0.461) 0.461 19.314 ( 0.000 0.000 2.185) 2.185 19.568 ( 0.000 0.000 -5.498) 5.498 19.840 ( 0.000 0.000 5.587) 5.587 20.110 ( 0.000 0.000 -2.472) 2.472 28.724 ( 0.000 0.000 0.235) 0.235 28.757 ( 0.000 0.000 -0.579) 0.579 28.870 ( 0.000 0.000 0.583) 0.583 28.918 ( 0.000 0.000 -0.600) 0.600 33.386 ( 0.000 0.000 3.679) 3.679 33.640 ( 0.000 0.000 0.245) 0.245 33.662 ( 0.000 0.000 -0.360) 0.360 33.671 ( 0.000 0.000 -3.199) 3.199 33.674 ( 0.000 0.000 0.125) 0.125 33.679 ( 0.000 0.000 -0.039) 0.039 34.692 ( 0.000 0.000 1.396) 1.396 34.801 ( 0.000 0.000 -1.244) 1.244 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 9.656 0.000 11.624) 15.111 0.597 ( 14.772 0.000 14.081) 20.407 0.735 ( 1.182 0.000 1.606) 1.994 1.001 ( 21.902 0.000 23.791) 32.338 1.216 ( 1.513 0.000 -0.961) 1.792 1.337 ( 10.013 0.000 -5.213) 11.288 1.416 ( -6.333 0.000 -5.852) 8.623 1.685 ( -0.038 0.000 -0.301) 0.304 1.747 ( 2.009 0.000 7.315) 7.586 1.807 ( 1.465 0.000 -1.411) 2.034 1.812 ( -1.252 0.000 1.076) 1.651 1.882 ( -1.728 0.000 1.277) 2.148 1.899 ( 2.512 0.000 6.896) 7.339 1.932 ( -1.007 0.000 3.228) 3.381 1.990 ( -0.443 0.000 5.722) 5.739 1.993 ( 1.241 0.000 1.543) 1.980 2.138 ( 3.489 0.000 -1.260) 3.710 2.149 ( 1.429 0.000 0.616) 1.556 2.260 ( 4.245 0.000 -3.759) 5.671 2.271 ( 5.708 0.000 -0.505) 5.731 2.372 ( 5.056 0.000 -3.598) 6.205 2.377 ( 0.082 0.000 -0.853) 0.857 2.405 ( -1.300 0.000 -0.323) 1.339 2.450 ( 1.091 0.000 0.244) 1.118 2.511 ( 1.355 0.000 -3.831) 4.064 2.540 ( -2.163 0.000 -3.570) 4.174 2.649 ( -0.204 0.000 -2.290) 2.299 2.683 ( -0.624 0.000 -5.154) 5.192 2.818 ( -2.263 0.000 2.358) 3.268 2.884 ( -8.952 0.000 -1.922) 9.156 2.965 ( -2.590 0.000 -1.985) 3.263 2.989 ( -1.975 0.000 1.237) 2.330 3.051 ( 0.290 0.000 1.162) 1.198 3.108 ( -3.006 0.000 -2.733) 4.062 3.147 ( -1.382 0.000 2.535) 2.887 3.219 ( 2.858 0.000 0.680) 2.938 3.222 ( -0.861 0.000 -0.900) 1.246 3.290 ( -6.816 0.000 0.988) 6.887 3.339 ( 1.470 0.000 -2.702) 3.076 3.506 ( -1.447 0.000 0.801) 1.654 3.516 ( -2.152 0.000 11.503) 11.702 3.541 ( -1.679 0.000 0.229) 1.695 3.699 ( -1.758 0.000 -9.252) 9.418 3.735 ( 4.267 0.000 1.278) 4.455 3.834 ( -3.181 0.000 0.089) 3.182 4.150 ( 9.295 0.000 -3.299) 9.864 4.305 ( -0.639 0.000 14.645) 14.659 5.039 ( -3.591 0.000 -9.508) 10.164 10.310 ( -0.138 0.000 0.965) 0.975 10.327 ( 1.029 0.000 0.096) 1.033 10.335 ( 0.751 0.000 -0.110) 0.759 10.387 ( 2.633 0.000 -0.497) 2.679 10.445 ( -0.790 0.000 0.357) 0.867 10.473 ( -1.040 0.000 -0.315) 1.087 10.480 ( -1.831 0.000 1.722) 2.514 10.607 ( 0.290 0.000 -1.538) 1.565 14.753 ( -0.294 0.000 -1.794) 1.818 14.786 ( 0.164 0.000 -0.213) 0.268 14.796 ( -0.720 0.000 -2.125) 2.244 14.821 ( -0.092 0.000 -1.030) 1.034 14.986 ( 0.771 0.000 0.163) 0.788 14.997 ( 0.555 0.000 -0.109) 0.565 15.039 ( -0.898 0.000 2.171) 2.349 15.074 ( -0.543 0.000 0.237) 0.593 15.092 ( -0.757 0.000 -0.205) 0.784 15.129 ( -6.631 0.000 5.945) 8.906 15.219 ( -1.086 0.000 -1.193) 1.613 15.285 ( -2.246 0.000 0.753) 2.369 19.655 ( 9.558 0.000 -2.842) 9.972 19.877 ( 3.223 0.000 5.215) 6.131 20.128 ( 22.795 0.000 -24.850) 33.722 20.180 ( 15.273 0.000 -14.721) 21.212 28.768 ( 1.054 0.000 -0.540) 1.184 28.822 ( 3.974 0.000 -5.818) 7.045 28.878 ( 1.247 0.000 -0.633) 1.398 28.918 ( 0.024 0.000 -0.733) 0.733 33.394 ( 0.764 0.000 4.361) 4.428 33.642 ( 0.256 0.000 0.224) 0.340 33.663 ( 0.074 0.000 -0.326) 0.334 33.673 ( -0.079 0.000 0.096) 0.124 33.676 ( -0.229 0.000 -0.022) 0.230 33.712 ( 3.638 0.000 -3.095) 4.777 34.072 ( -32.458 0.000 35.397) 48.026 34.610 ( -9.389 0.000 -0.430) 9.399 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 8.595 0.000 9.485) 12.800 0.760 ( 1.075 0.000 6.032) 6.127 0.914 ( 15.118 0.000 9.849) 18.043 1.243 ( 0.040 0.000 -4.457) 4.457 1.279 ( -5.202 0.000 -6.297) 8.168 1.377 ( 3.992 0.000 6.159) 7.339 1.628 ( 6.808 0.000 -9.664) 11.822 1.661 ( 15.649 0.000 9.279) 18.193 1.767 ( -0.951 0.000 2.802) 2.959 1.801 ( 1.316 0.000 5.623) 5.775 1.847 ( -1.403 0.000 2.145) 2.563 1.848 ( 0.525 0.000 -7.000) 7.019 1.899 ( -1.582 0.000 4.946) 5.193 2.006 ( 6.875 0.000 5.495) 8.801 2.021 ( 2.856 0.000 2.597) 3.860 2.069 ( 5.147 0.000 4.044) 6.545 2.146 ( -1.728 0.000 0.311) 1.756 2.170 ( -1.057 0.000 -1.652) 1.961 2.301 ( -3.655 0.000 0.176) 3.659 2.372 ( 3.834 0.000 -0.845) 3.926 2.373 ( 1.496 0.000 2.048) 2.536 2.423 ( -0.136 0.000 -1.958) 1.962 2.453 ( 2.220 0.000 -1.683) 2.786 2.507 ( 1.260 0.000 -0.274) 1.289 2.509 ( 1.850 0.000 -3.445) 3.911 2.544 ( 3.896 0.000 -1.316) 4.113 2.681 ( 0.375 0.000 -4.269) 4.286 2.703 ( 2.728 0.000 -4.432) 5.204 2.743 ( -2.792 0.000 0.279) 2.806 2.770 ( -1.843 0.000 1.150) 2.172 2.883 ( -13.985 0.000 -0.493) 13.993 2.884 ( -4.710 0.000 -2.414) 5.293 2.956 ( -1.115 0.000 0.108) 1.121 3.020 ( -4.077 0.000 -0.783) 4.152 3.130 ( -0.396 0.000 3.040) 3.066 3.231 ( 4.906 0.000 3.887) 6.259 3.241 ( -1.999 0.000 -0.157) 2.005 3.299 ( 4.293 0.000 0.624) 4.339 3.378 ( 2.247 0.000 -1.537) 2.722 3.447 ( -3.894 0.000 8.055) 8.946 3.461 ( -2.823 0.000 0.620) 2.891 3.493 ( -2.745 0.000 -0.004) 2.745 3.666 ( -1.038 0.000 -9.055) 9.115 3.749 ( -4.030 0.000 -1.918) 4.464 3.895 ( 8.802 0.000 4.940) 10.094 4.207 ( -4.360 0.000 10.614) 11.475 4.412 ( 10.792 0.000 -3.894) 11.473 4.890 ( -9.787 0.000 -8.362) 12.873 10.322 ( 1.165 0.000 1.113) 1.611 10.357 ( 1.699 0.000 0.000) 1.699 10.357 ( 1.322 0.000 -0.009) 1.322 10.404 ( -1.959 0.000 0.114) 1.962 10.422 ( -1.304 0.000 0.261) 1.330 10.442 ( -1.767 0.000 -0.229) 1.781 10.480 ( 2.873 0.000 1.151) 3.095 10.596 ( -1.472 0.000 -1.119) 1.849 14.735 ( -0.693 0.000 -1.123) 1.320 14.762 ( -1.533 0.000 -0.660) 1.669 14.805 ( 0.569 0.000 -2.550) 2.613 14.820 ( -0.100 0.000 -2.065) 2.067 15.008 ( 1.318 0.000 0.085) 1.321 15.013 ( 0.949 0.000 -0.035) 0.950 15.022 ( -0.482 0.000 2.362) 2.411 15.049 ( -2.006 0.000 3.695) 4.204 15.058 ( -0.936 0.000 0.163) 0.950 15.070 ( -1.306 0.000 -0.128) 1.313 15.202 ( -0.456 0.000 -0.991) 1.091 15.238 ( -1.991 0.000 -0.234) 2.005 19.855 ( 7.942 0.000 1.004) 8.005 19.946 ( 2.600 0.000 4.092) 4.848 20.301 ( 8.108 0.000 -4.680) 9.362 20.490 ( 4.250 0.000 -19.032) 19.501 28.796 ( 1.510 0.000 -0.502) 1.591 28.843 ( -0.395 0.000 -1.381) 1.436 28.912 ( 0.939 0.000 -2.994) 3.137 28.920 ( 0.174 0.000 -1.573) 1.582 33.422 ( 2.085 0.000 6.627) 6.947 33.632 ( -10.074 0.000 20.126) 22.506 33.650 ( 0.432 0.000 0.169) 0.464 33.665 ( 0.113 0.000 -0.232) 0.258 33.669 ( -0.384 0.000 0.033) 0.386 33.671 ( -0.139 0.000 0.004) 0.139 33.869 ( 7.816 0.000 -1.902) 8.044 34.361 ( -13.308 0.000 -2.877) 13.615 ======================= Grid point 66 (24/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( -2.871 0.000 7.857) 8.365 0.751 ( 2.871 0.000 7.857) 8.365 1.216 ( -12.978 0.000 6.285) 14.420 1.216 ( 12.978 0.000 6.285) 14.420 1.227 ( -0.969 0.000 -4.996) 5.090 1.227 ( 0.969 0.000 -4.996) 5.090 1.775 ( -5.830 0.000 -9.722) 11.336 1.775 ( 5.830 0.000 -9.722) 11.336 1.779 ( -2.046 0.000 1.572) 2.580 1.779 ( 2.046 0.000 1.572) 2.580 1.865 ( -1.967 0.000 5.152) 5.515 1.865 ( 1.967 0.000 5.152) 5.515 2.021 ( -9.307 0.000 3.549) 9.961 2.021 ( 9.307 0.000 3.549) 9.961 2.089 ( -3.306 0.000 1.448) 3.609 2.089 ( 3.306 0.000 1.448) 3.609 2.204 ( -6.592 0.000 2.939) 7.218 2.204 ( 6.592 0.000 2.939) 7.218 2.253 ( -12.185 0.000 4.631) 13.035 2.253 ( 12.185 0.000 4.631) 13.035 2.408 ( -0.686 0.000 -1.490) 1.640 2.408 ( 0.686 0.000 -1.490) 1.640 2.495 ( -1.719 0.000 -2.106) 2.719 2.495 ( 1.719 0.000 -2.106) 2.719 2.590 ( -5.909 0.000 0.337) 5.919 2.590 ( 5.909 0.000 0.337) 5.919 2.648 ( -4.047 0.000 -1.526) 4.325 2.648 ( 4.047 0.000 -1.526) 4.325 2.760 ( -0.275 0.000 -2.461) 2.476 2.760 ( 0.275 0.000 -2.461) 2.476 2.788 ( -3.693 0.000 -2.273) 4.336 2.788 ( 3.693 0.000 -2.273) 4.336 2.960 ( -1.498 0.000 -0.952) 1.775 2.960 ( 1.498 0.000 -0.952) 1.775 3.168 ( -3.819 0.000 2.400) 4.510 3.168 ( 3.819 0.000 2.400) 4.510 3.351 ( -5.314 0.000 5.555) 7.687 3.351 ( 5.314 0.000 5.555) 7.687 3.387 ( -3.916 0.000 0.480) 3.945 3.387 ( 3.916 0.000 0.480) 3.945 3.433 ( -2.733 0.000 -0.494) 2.778 3.433 ( 2.733 0.000 -0.494) 2.778 3.677 ( -2.286 0.000 -6.176) 6.586 3.677 ( 2.286 0.000 -6.176) 6.586 4.073 ( -7.757 0.000 8.357) 11.402 4.073 ( 7.757 0.000 8.357) 11.402 4.656 ( -11.879 0.000 -6.852) 13.714 4.656 ( 11.879 0.000 -6.852) 13.714 10.357 ( -2.098 0.000 1.133) 2.384 10.357 ( 2.098 0.000 1.133) 2.384 10.384 ( -0.619 0.000 0.049) 0.621 10.384 ( 0.619 0.000 0.049) 0.621 10.405 ( -1.137 0.000 -0.039) 1.137 10.405 ( 1.137 0.000 -0.039) 1.137 10.548 ( -3.023 0.000 -0.454) 3.057 10.548 ( 3.023 0.000 -0.454) 3.057 14.735 ( -0.773 0.000 -0.826) 1.132 14.735 ( 0.773 0.000 -0.826) 1.132 14.815 ( -0.357 0.000 -2.316) 2.343 14.815 ( 0.357 0.000 -2.316) 2.343 15.023 ( -0.628 0.000 2.560) 2.636 15.023 ( 0.628 0.000 2.560) 2.636 15.034 ( -0.473 0.000 0.051) 0.475 15.034 ( 0.473 0.000 0.051) 0.475 15.041 ( -0.897 0.000 -0.009) 0.897 15.041 ( 0.897 0.000 -0.009) 0.897 15.206 ( -0.929 0.000 -0.640) 1.128 15.206 ( 0.929 0.000 -0.640) 1.128 19.959 ( -1.917 0.000 2.904) 3.480 19.959 ( 1.917 0.000 2.904) 3.480 20.458 ( -5.724 0.000 -8.646) 10.369 20.458 ( 5.724 0.000 -8.646) 10.369 28.826 ( -1.210 0.000 -0.667) 1.382 28.826 ( 1.210 0.000 -0.667) 1.382 28.921 ( -0.186 0.000 -1.992) 2.001 28.921 ( 0.186 0.000 -1.992) 2.001 33.488 ( -4.438 0.000 11.451) 12.281 33.488 ( 4.438 0.000 11.451) 12.281 33.660 ( -0.480 0.000 0.094) 0.489 33.660 ( 0.480 0.000 0.094) 0.489 33.668 ( -0.146 0.000 -0.106) 0.180 33.668 ( 0.146 0.000 -0.106) 0.180 34.086 ( -12.228 0.000 -3.762) 12.794 34.086 ( 12.228 0.000 -3.762) 12.794 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.000 6.442 14.535) 15.898 0.615 ( 0.000 15.167 12.996) 19.973 0.865 ( 0.000 12.364 -0.233) 12.366 0.901 ( 0.000 15.604 18.129) 23.920 1.157 ( 0.000 -3.070 -5.496) 6.295 1.332 ( 0.000 11.526 5.998) 12.993 1.590 ( 0.000 5.817 -7.847) 9.768 1.660 ( 0.000 1.405 0.932) 1.686 1.783 ( 0.000 -1.305 0.662) 1.463 1.798 ( 0.000 -2.759 5.684) 6.318 1.809 ( 0.000 6.058 4.930) 7.810 1.930 ( 0.000 8.710 -0.644) 8.734 1.941 ( 0.000 2.660 0.179) 2.666 1.963 ( 0.000 1.035 2.989) 3.163 2.005 ( 0.000 1.375 2.723) 3.050 2.078 ( 0.000 -1.128 -1.925) 2.231 2.111 ( 0.000 6.967 6.625) 9.614 2.157 ( 0.000 -2.415 -1.743) 2.978 2.204 ( 0.000 0.670 -3.333) 3.400 2.205 ( 0.000 5.167 1.963) 5.528 2.344 ( 0.000 0.167 1.814) 1.822 2.357 ( 0.000 2.489 -2.484) 3.516 2.376 ( 0.000 -3.282 1.915) 3.800 2.385 ( 0.000 -4.586 -4.011) 6.093 2.559 ( 0.000 4.314 -4.513) 6.243 2.578 ( 0.000 3.686 -3.709) 5.229 2.736 ( 0.000 0.899 -1.164) 1.471 2.758 ( 0.000 6.123 -6.491) 8.923 2.835 ( 0.000 1.599 -6.070) 6.277 2.936 ( 0.000 -4.813 -2.032) 5.225 2.994 ( 0.000 -0.895 1.112) 1.427 3.037 ( 0.000 1.401 3.053) 3.360 3.077 ( 0.000 -0.829 -2.463) 2.599 3.115 ( 0.000 0.515 0.387) 0.644 3.146 ( 0.000 -0.058 -0.792) 0.795 3.190 ( 0.000 0.639 -0.011) 0.639 3.226 ( 0.000 0.439 2.745) 2.780 3.367 ( 0.000 -0.537 2.725) 2.778 3.388 ( 0.000 5.089 -3.637) 6.255 3.501 ( 0.000 4.185 2.606) 4.930 3.573 ( 0.000 0.169 -0.312) 0.355 3.681 ( 0.000 0.502 -0.897) 1.028 3.707 ( 0.000 3.238 0.133) 3.241 3.717 ( 0.000 -1.145 -5.164) 5.289 3.839 ( 0.000 -2.879 0.909) 3.019 3.983 ( 0.000 -4.086 -2.031) 4.563 4.212 ( 0.000 -9.497 16.015) 18.619 4.957 ( 0.000 -7.071 -7.759) 10.497 10.291 ( 0.000 -0.733 -0.086) 0.738 10.327 ( 0.000 -0.349 -0.813) 0.884 10.358 ( 0.000 1.915 0.494) 1.978 10.369 ( 0.000 1.509 0.651) 1.644 10.456 ( 0.000 -2.189 -0.069) 2.190 10.461 ( 0.000 1.083 0.173) 1.097 10.496 ( 0.000 0.100 1.010) 1.015 10.636 ( 0.000 2.808 -1.806) 3.338 14.736 ( 0.000 -0.182 0.442) 0.478 14.776 ( 0.000 -0.965 -0.486) 1.080 14.788 ( 0.000 -0.729 -0.432) 0.848 14.813 ( 0.000 -0.672 -0.706) 0.975 14.942 ( 0.000 -1.424 -0.540) 1.523 14.964 ( 0.000 -1.183 -0.237) 1.207 15.081 ( 0.000 0.549 1.718) 1.804 15.090 ( 0.000 -0.683 0.177) 0.705 15.118 ( 0.000 2.701 1.486) 3.083 15.249 ( 0.000 2.003 -2.584) 3.270 15.329 ( 0.000 1.605 1.275) 2.050 15.337 ( 0.000 0.992 0.339) 1.048 19.324 ( 0.000 1.042 2.066) 2.313 19.559 ( 0.000 -0.258 -4.790) 4.796 19.815 ( 0.000 -2.206 5.576) 5.997 20.075 ( 0.000 -3.271 -2.332) 4.018 28.724 ( 0.000 0.052 0.270) 0.275 28.758 ( 0.000 0.192 -0.571) 0.602 28.862 ( 0.000 -0.764 0.537) 0.934 28.906 ( 0.000 -1.173 -0.529) 1.287 33.362 ( 0.000 -1.948 3.099) 3.661 33.521 ( 0.000 -5.878 8.247) 10.128 33.629 ( 0.000 -3.111 -3.465) 4.657 33.674 ( 0.000 2.464 0.013) 2.464 33.689 ( 0.000 0.375 0.152) 0.404 33.700 ( 0.000 3.244 -0.198) 3.251 34.700 ( 0.000 1.163 1.912) 2.238 35.006 ( 0.000 8.258 -11.548) 14.197 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.17 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( 13.169 8.164 8.879) 17.858 0.708 ( 8.179 14.053 10.497) 19.354 0.887 ( 2.054 12.921 1.338) 13.152 1.096 ( 16.501 9.012 12.613) 22.641 1.244 ( 6.343 -1.221 -3.211) 7.214 1.362 ( 3.932 8.215 3.566) 9.781 1.521 ( -4.612 7.120 -6.516) 10.697 1.688 ( -0.636 0.825 0.366) 1.104 1.793 ( 2.397 -0.382 -0.048) 2.428 1.821 ( 1.967 2.230 4.038) 5.015 1.844 ( 2.810 1.211 4.692) 5.601 1.896 ( -1.808 5.607 1.162) 6.005 1.946 ( 0.189 6.293 -0.134) 6.297 1.987 ( 0.797 3.199 2.632) 4.219 2.019 ( 1.715 2.904 2.553) 4.230 2.081 ( -1.880 7.258 6.165) 9.707 2.127 ( 3.446 -0.995 -1.740) 3.987 2.164 ( 0.388 0.868 -0.272) 0.989 2.215 ( 4.853 -3.074 -1.091) 5.848 2.291 ( 3.255 0.597 -0.826) 3.411 2.341 ( 0.095 -2.130 -1.313) 2.504 2.372 ( 0.553 -0.087 0.226) 0.604 2.378 ( 0.762 -3.480 -0.163) 3.566 2.439 ( 4.699 0.206 -2.816) 5.482 2.496 ( -1.652 4.592 -2.912) 5.683 2.611 ( 1.410 4.029 -2.672) 5.036 2.691 ( -3.906 1.746 0.553) 4.314 2.756 ( -0.702 3.497 -4.167) 5.485 2.793 ( -2.878 1.264 -4.038) 5.117 2.860 ( -6.715 -5.150 -3.305) 9.085 2.959 ( -4.462 2.967 0.369) 5.371 2.992 ( -1.044 -0.808 0.611) 1.454 3.047 ( 0.282 0.968 1.183) 1.554 3.122 ( -0.833 0.808 -2.456) 2.716 3.155 ( -1.005 0.697 2.220) 2.535 3.192 ( -1.261 -1.143 -1.053) 2.001 3.279 ( 1.709 1.738 -0.403) 2.470 3.306 ( -0.487 1.106 3.264) 3.480 3.390 ( -2.082 4.989 -0.838) 5.470 3.471 ( -1.464 4.214 0.923) 4.555 3.555 ( -1.962 0.851 -0.293) 2.159 3.659 ( -1.728 3.251 0.570) 3.726 3.688 ( -1.749 -0.304 -6.277) 6.523 3.732 ( 4.190 0.310 1.845) 4.589 3.822 ( -1.790 -0.627 1.997) 2.754 4.095 ( 7.346 -5.461 -1.312) 9.247 4.212 ( 0.469 -8.671 12.960) 15.600 4.930 ( -3.846 -8.977 -8.440) 12.908 10.298 ( 0.651 -0.448 0.236) 0.824 10.344 ( 1.395 0.490 -0.479) 1.554 10.360 ( 0.497 1.683 0.091) 1.758 10.392 ( 1.712 0.988 0.259) 1.993 10.446 ( -0.782 -1.477 0.626) 1.785 10.469 ( 0.188 1.698 0.125) 1.713 10.484 ( -1.053 0.022 0.664) 1.245 10.627 ( -0.937 1.835 -1.729) 2.690 14.724 ( -0.793 -1.956 -0.131) 2.115 14.768 ( -1.279 -1.332 -1.008) 2.104 14.781 ( -0.031 -0.437 -0.179) 0.474 14.811 ( -0.302 -0.656 -0.730) 1.027 14.948 ( 0.593 -1.243 -0.467) 1.454 14.972 ( 0.753 -1.161 -0.301) 1.416 15.067 ( -1.290 0.128 1.871) 2.276 15.079 ( -0.938 -0.535 0.165) 1.092 15.112 ( -0.468 2.648 1.484) 3.072 15.209 ( -5.871 4.810 1.744) 7.788 15.242 ( -1.232 1.697 -1.302) 2.468 15.305 ( -2.274 1.679 0.644) 2.899 19.649 ( 9.254 -0.631 -3.101) 9.780 19.848 ( 8.305 -5.690 0.995) 10.116 19.879 ( 25.699 -13.337 -10.099) 30.664 20.124 ( 4.552 -3.815 -2.670) 6.512 28.768 ( 0.890 0.018 -0.535) 1.038 28.778 ( 3.391 -2.579 -2.083) 4.742 28.866 ( 0.487 -0.892 0.253) 1.047 28.905 ( -0.067 -1.225 -0.600) 1.366 33.370 ( 0.843 -1.886 3.591) 4.143 33.508 ( -1.116 -5.489 8.259) 9.979 33.646 ( 0.892 -2.656 -2.589) 3.815 33.671 ( -0.238 0.855 -0.279) 0.930 33.699 ( 1.311 3.161 0.206) 3.429 33.735 ( 3.674 2.669 -0.973) 4.644 34.496 ( -24.959 18.714 5.324) 31.647 34.646 ( -13.560 6.296 -0.112) 14.950 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.33 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 6.691 16.365 6.972) 19.005 0.918 ( 3.440 12.297 5.400) 13.864 0.982 ( 12.500 7.689 6.089) 15.889 1.302 ( 1.419 4.950 -2.630) 5.782 1.360 ( -3.134 4.601 -4.010) 6.861 1.411 ( 2.465 3.532 3.822) 5.758 1.619 ( 6.448 1.436 -8.243) 10.564 1.686 ( 12.077 2.288 8.202) 14.777 1.802 ( -1.681 2.442 1.290) 3.233 1.853 ( 0.996 0.978 -5.165) 5.350 1.889 ( 2.596 7.167 4.983) 9.107 1.921 ( -1.131 6.467 0.373) 6.576 1.959 ( 2.953 -1.384 0.027) 3.261 1.983 ( 0.270 4.629 5.156) 6.935 2.064 ( 0.495 4.333 5.201) 6.788 2.094 ( 3.908 1.997 3.627) 5.694 2.160 ( 1.514 1.477 0.908) 2.302 2.203 ( 0.427 3.042 -0.489) 3.110 2.302 ( -1.111 -1.235 0.273) 1.683 2.326 ( 3.601 -4.071 0.198) 5.439 2.340 ( 0.484 -1.628 0.318) 1.728 2.387 ( 0.831 -1.447 -1.645) 2.343 2.413 ( 1.691 -3.559 -0.785) 4.018 2.505 ( 1.220 2.131 -2.765) 3.698 2.523 ( 0.822 1.247 -3.006) 3.357 2.623 ( -2.675 -1.620 -1.408) 3.430 2.642 ( 1.501 0.124 1.372) 2.038 2.706 ( -0.785 1.441 0.553) 1.732 2.746 ( -3.338 0.036 -6.307) 7.136 2.792 ( 1.777 3.813 -3.192) 5.280 2.871 ( -3.862 3.656 1.663) 5.572 2.945 ( -3.230 0.586 -0.573) 3.332 3.005 ( -3.498 2.547 -1.133) 4.473 3.029 ( -6.133 2.202 1.112) 6.611 3.124 ( -1.253 -0.607 2.760) 3.091 3.208 ( 3.336 0.033 1.054) 3.499 3.243 ( -2.291 1.303 -0.712) 2.731 3.358 ( 0.356 -0.824 3.064) 3.193 3.391 ( 2.169 3.609 0.489) 4.239 3.458 ( 1.011 6.009 -1.741) 6.337 3.506 ( -2.003 1.483 -1.772) 3.058 3.614 ( -2.611 7.776 1.942) 8.430 3.658 ( -0.620 -0.492 -6.109) 6.160 3.758 ( -3.591 0.365 0.556) 3.652 3.872 ( 7.279 -1.546 5.147) 9.048 4.126 ( -3.438 -7.502 9.661) 12.706 4.334 ( 9.906 -7.333 -3.209) 12.736 4.785 ( -9.421 -9.363 -7.662) 15.334 10.319 ( 1.308 -0.132 0.766) 1.522 10.371 ( 0.048 -0.028 0.333) 0.338 10.378 ( 1.759 1.837 0.119) 2.547 10.412 ( -0.113 2.297 -0.448) 2.343 10.445 ( -0.113 0.862 0.227) 0.898 10.456 ( -1.473 0.488 0.192) 1.563 10.473 ( 1.702 0.494 0.684) 1.900 10.594 ( -2.257 0.051 -1.317) 2.614 14.711 ( -0.306 -2.368 -0.739) 2.499 14.738 ( -1.369 -1.651 -1.152) 2.435 14.783 ( 0.203 -1.255 -0.532) 1.378 14.801 ( -0.556 -0.919 -0.858) 1.374 14.968 ( 1.244 -0.814 -0.152) 1.495 14.992 ( 1.073 -1.135 -0.321) 1.595 15.036 ( -1.469 -0.103 1.511) 2.110 15.054 ( -1.327 -0.496 0.065) 1.418 15.102 ( -0.327 2.795 1.554) 3.215 15.130 ( -2.084 4.329 1.623) 5.072 15.223 ( -0.536 1.725 -1.230) 2.186 15.257 ( -1.997 1.639 -0.404) 2.615 19.839 ( 7.629 -1.454 0.565) 7.787 19.925 ( 2.719 -2.017 3.805) 5.093 20.241 ( 6.990 -5.820 -4.596) 10.191 20.303 ( 9.223 -14.768 -11.797) 21.031 28.791 ( 1.215 -0.401 -0.508) 1.376 28.819 ( 0.516 -2.230 -1.537) 2.757 28.884 ( 0.988 -1.850 -1.073) 2.356 28.903 ( -0.109 -1.434 -0.833) 1.662 33.397 ( 1.603 -2.013 4.992) 5.617 33.477 ( -1.823 -4.335 8.050) 9.323 33.656 ( 0.220 -1.119 -1.199) 1.654 33.665 ( -0.294 -0.236 -0.537) 0.656 33.743 ( 2.938 6.684 0.542) 7.321 33.865 ( 8.214 2.782 -2.693) 9.081 34.054 ( -14.017 20.184 6.454) 25.407 34.381 ( -13.348 2.382 -1.853) 13.685 ======================= Grid point 73 (28/60) ======================= q-point: (-0.50 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -1.621 15.251 6.002) 16.469 0.933 ( 1.621 15.251 6.002) 16.469 1.253 ( -10.627 4.026 4.913) 12.381 1.253 ( 10.627 4.026 4.913) 12.381 1.321 ( -2.394 7.082 -3.666) 8.326 1.321 ( 2.394 7.082 -3.666) 8.326 1.753 ( -4.775 0.997 -7.248) 8.737 1.753 ( 4.775 0.997 -7.248) 8.737 1.847 ( -1.047 2.604 -1.230) 3.064 1.847 ( 1.047 2.604 -1.230) 3.064 1.927 ( -1.545 3.552 2.497) 4.609 1.927 ( 1.545 3.552 2.497) 4.609 2.032 ( -1.305 1.126 4.699) 5.005 2.032 ( 1.305 1.126 4.699) 5.005 2.072 ( -4.284 1.565 3.902) 6.002 2.072 ( 4.284 1.565 3.902) 6.002 2.228 ( -5.392 1.389 2.741) 6.206 2.228 ( 5.392 1.389 2.741) 6.206 2.286 ( -7.397 2.030 2.553) 8.084 2.286 ( 7.397 2.030 2.553) 8.084 2.378 ( -0.980 -1.899 -0.893) 2.316 2.378 ( 0.980 -1.899 -0.893) 2.316 2.454 ( -2.864 -4.146 -0.657) 5.082 2.454 ( 2.864 -4.146 -0.657) 5.082 2.557 ( -1.989 0.892 -2.555) 3.359 2.557 ( 1.989 0.892 -2.555) 3.359 2.693 ( -2.176 -1.234 -3.110) 3.991 2.693 ( 2.176 -1.234 -3.110) 3.991 2.745 ( -3.166 4.346 -0.601) 5.410 2.745 ( 3.166 4.346 -0.601) 5.410 2.891 ( -2.532 6.193 -0.832) 6.742 2.891 ( 2.532 6.193 -0.832) 6.742 2.961 ( -0.420 0.590 -0.382) 0.819 2.961 ( 0.420 0.590 -0.382) 0.819 3.148 ( -3.771 -1.392 2.746) 4.868 3.148 ( 3.771 -1.392 2.746) 4.868 3.312 ( -4.020 0.263 1.534) 4.311 3.312 ( 4.020 0.263 1.534) 4.311 3.437 ( -2.466 0.288 -2.745) 3.701 3.437 ( 2.466 0.288 -2.745) 3.701 3.547 ( -3.815 9.725 1.892) 10.616 3.547 ( 3.815 9.725 1.892) 10.616 3.681 ( -2.921 0.407 -2.515) 3.876 3.681 ( 2.921 0.407 -2.515) 3.876 4.019 ( -6.342 -4.957 7.319) 10.879 4.019 ( 6.342 -4.957 7.319) 10.879 4.561 ( -11.235 -8.788 -6.187) 15.548 4.561 ( 11.235 -8.788 -6.187) 15.548 10.350 ( -1.552 -0.353 1.090) 1.929 10.350 ( 1.552 -0.353 1.090) 1.929 10.415 ( -1.426 1.871 -0.132) 2.356 10.415 ( 1.426 1.871 -0.132) 2.356 10.428 ( -0.928 2.613 -0.045) 2.773 10.428 ( 0.928 2.613 -0.045) 2.773 10.535 ( -3.209 -1.027 -0.508) 3.407 10.535 ( 3.209 -1.027 -0.508) 3.407 14.715 ( -0.687 -1.865 -0.949) 2.202 14.715 ( 0.687 -1.865 -0.949) 2.202 14.790 ( -0.435 -1.421 -0.876) 1.725 14.790 ( 0.435 -1.421 -0.876) 1.725 14.996 ( -1.206 -0.515 0.360) 1.360 14.996 ( 1.206 -0.515 0.360) 1.360 15.027 ( -1.063 -0.725 0.037) 1.287 15.027 ( 1.063 -0.725 0.037) 1.287 15.104 ( -0.570 3.401 1.541) 3.777 15.104 ( 0.570 3.401 1.541) 3.777 15.226 ( -0.874 1.660 -0.865) 2.065 15.226 ( 0.874 1.660 -0.865) 2.065 19.939 ( -1.815 -1.802 2.542) 3.605 19.939 ( 1.815 -1.802 2.542) 3.605 20.355 ( -2.825 -9.101 -6.840) 11.730 20.355 ( 2.825 -9.101 -6.840) 11.730 28.814 ( -0.796 -1.087 -0.693) 1.515 28.814 ( 0.796 -1.087 -0.693) 1.515 28.899 ( -0.386 -1.820 -1.199) 2.213 28.899 ( 0.386 -1.820 -1.199) 2.213 33.435 ( -2.012 -2.862 6.826) 7.670 33.435 ( 2.012 -2.862 6.826) 7.670 33.660 ( -0.229 -0.625 -0.749) 1.002 33.660 ( 0.229 -0.625 -0.749) 1.002 33.834 ( -6.151 12.619 1.976) 14.177 33.834 ( 6.151 12.619 1.976) 14.177 34.104 ( -12.269 2.259 -2.448) 12.713 34.104 ( 12.269 2.259 -2.448) 12.713 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.000 6.879 7.019) 9.828 0.812 ( 0.000 3.110 3.824) 4.929 1.038 ( 0.000 2.850 9.620) 10.033 1.153 ( 0.000 14.895 0.334) 14.899 1.296 ( 0.000 13.272 -6.066) 14.592 1.643 ( 0.000 -0.064 -6.059) 6.059 1.655 ( 0.000 13.369 3.195) 13.746 1.715 ( 0.000 4.420 -0.017) 4.420 1.752 ( 0.000 -1.387 0.522) 1.482 1.826 ( 0.000 8.032 5.578) 9.778 1.921 ( 0.000 4.258 0.885) 4.349 1.944 ( 0.000 -2.185 -3.546) 4.165 1.991 ( 0.000 0.586 1.054) 1.206 2.043 ( 0.000 2.458 1.618) 2.943 2.049 ( 0.000 -0.528 -2.046) 2.113 2.063 ( 0.000 0.705 0.295) 0.764 2.143 ( 0.000 -0.801 0.702) 1.065 2.231 ( 0.000 5.043 4.905) 7.034 2.245 ( 0.000 0.263 -4.675) 4.682 2.276 ( 0.000 3.577 2.971) 4.649 2.325 ( 0.000 3.012 2.896) 4.179 2.348 ( 0.000 2.627 2.822) 3.855 2.412 ( 0.000 5.002 2.995) 5.830 2.470 ( 0.000 6.019 -3.803) 7.119 2.655 ( 0.000 -6.488 -2.091) 6.817 2.670 ( 0.000 5.559 -1.533) 5.767 2.705 ( 0.000 8.737 -3.652) 9.469 2.806 ( 0.000 -6.538 0.202) 6.541 2.867 ( 0.000 0.717 -3.093) 3.175 2.911 ( 0.000 4.872 -7.815) 9.210 2.961 ( 0.000 0.766 -3.202) 3.292 3.091 ( 0.000 2.910 0.304) 2.926 3.113 ( 0.000 3.336 -1.406) 3.620 3.129 ( 0.000 0.788 1.109) 1.361 3.165 ( 0.000 -0.607 -0.030) 0.608 3.203 ( 0.000 0.460 0.826) 0.945 3.211 ( 0.000 1.595 -1.006) 1.886 3.397 ( 0.000 2.280 1.138) 2.548 3.470 ( 0.000 1.888 -3.566) 4.035 3.520 ( 0.000 -4.944 -1.144) 5.075 3.618 ( 0.000 4.958 1.792) 5.272 3.704 ( 0.000 0.520 -0.442) 0.682 3.735 ( 0.000 -0.142 1.549) 1.555 3.750 ( 0.000 5.344 1.138) 5.464 3.766 ( 0.000 -1.963 1.533) 2.491 3.875 ( 0.000 -6.149 0.180) 6.151 3.972 ( 0.000 -12.346 14.138) 18.769 4.764 ( 0.000 -11.987 -8.083) 14.458 10.284 ( 0.000 -0.082 -0.241) 0.255 10.317 ( 0.000 -0.541 -0.650) 0.845 10.373 ( 0.000 -1.032 -0.566) 1.177 10.385 ( 0.000 -0.294 -0.495) 0.576 10.426 ( 0.000 0.341 1.445) 1.484 10.498 ( 0.000 0.491 2.844) 2.886 10.527 ( 0.000 4.639 -0.961) 4.738 10.692 ( 0.000 2.346 -2.011) 3.090 14.733 ( 0.000 -0.024 0.196) 0.197 14.761 ( 0.000 -0.428 -0.793) 0.901 14.777 ( 0.000 -0.579 -0.013) 0.579 14.802 ( 0.000 -0.427 -0.655) 0.782 14.936 ( 0.000 0.634 -1.757) 1.867 14.942 ( 0.000 -0.669 -0.578) 0.884 15.079 ( 0.000 -0.286 0.883) 0.928 15.083 ( 0.000 -0.185 2.339) 2.347 15.173 ( 0.000 2.676 0.687) 2.762 15.281 ( 0.000 0.883 -2.436) 2.591 15.346 ( 0.000 0.072 1.507) 1.509 15.361 ( 0.000 1.194 1.343) 1.798 19.357 ( 0.000 2.208 1.744) 2.813 19.560 ( 0.000 0.184 -4.681) 4.685 19.759 ( 0.000 -2.922 5.162) 5.932 19.985 ( 0.000 -5.353 -1.944) 5.695 28.729 ( 0.000 0.548 0.361) 0.656 28.765 ( 0.000 0.563 -0.491) 0.747 28.840 ( 0.000 -1.336 0.447) 1.409 28.875 ( 0.000 -1.764 -0.381) 1.805 33.329 ( 0.000 -0.989 1.170) 1.531 33.454 ( 0.000 -1.684 5.862) 6.099 33.550 ( 0.000 -4.500 -3.849) 5.922 33.642 ( 0.000 -3.704 -0.127) 3.706 33.762 ( 0.000 4.422 0.471) 4.447 33.779 ( 0.000 4.090 -0.016) 4.090 34.758 ( 0.000 4.670 2.542) 5.317 35.089 ( 0.000 1.172 -7.012) 7.109 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( 15.168 6.166 4.605) 17.008 0.936 ( 9.908 6.850 6.062) 13.485 1.134 ( 7.859 4.769 1.779) 9.363 1.219 ( 6.303 10.309 3.041) 12.459 1.335 ( 3.506 10.622 -4.349) 12.001 1.606 ( -2.662 6.266 -1.553) 6.983 1.672 ( 1.352 10.804 0.934) 10.928 1.728 ( -1.372 3.578 -0.474) 3.861 1.771 ( 1.941 -1.558 1.685) 3.006 1.833 ( 3.218 3.304 0.979) 4.715 1.910 ( -0.207 1.554 -0.833) 1.775 1.996 ( 0.479 2.584 -1.027) 2.822 2.009 ( 2.523 0.685 -0.700) 2.707 2.064 ( 2.999 2.674 2.163) 4.563 2.089 ( 2.439 1.533 0.160) 2.885 2.131 ( 5.626 0.264 0.874) 5.700 2.148 ( 1.693 -0.601 0.114) 1.800 2.212 ( -1.053 1.828 -0.969) 2.321 2.252 ( -0.853 3.607 1.044) 3.850 2.300 ( 2.748 2.170 2.421) 4.257 2.315 ( -0.475 4.858 2.527) 5.497 2.348 ( -0.734 2.884 1.973) 3.571 2.405 ( -0.270 3.139 1.940) 3.700 2.485 ( 1.128 3.074 -4.059) 5.215 2.595 ( -3.318 0.268 -0.506) 3.367 2.647 ( -1.519 -0.443 -0.987) 1.865 2.671 ( -6.759 -3.964 -0.169) 7.838 2.774 ( 2.384 6.298 -1.622) 6.926 2.857 ( -1.930 4.094 -4.372) 6.293 2.884 ( -2.427 3.749 -7.529) 8.754 2.963 ( 0.165 -0.775 0.999) 1.275 3.016 ( -3.782 1.589 -0.452) 4.127 3.100 ( -1.109 3.513 1.960) 4.173 3.154 ( -1.822 2.269 -3.412) 4.485 3.163 ( -0.589 0.304 -2.411) 2.501 3.194 ( 1.110 2.612 1.912) 3.422 3.291 ( 5.040 -0.151 1.505) 5.263 3.346 ( -2.953 2.744 0.738) 4.099 3.468 ( -0.849 1.414 -1.939) 2.546 3.528 ( -0.778 -4.274 -0.997) 4.457 3.601 ( -2.015 4.469 0.819) 4.970 3.667 ( 0.545 1.152 -0.409) 1.339 3.705 ( -1.218 1.767 -0.514) 2.207 3.739 ( 0.184 1.258 -1.454) 1.931 3.837 ( 2.461 1.842 6.288) 6.999 3.929 ( 2.256 -10.764 5.430) 12.266 4.002 ( 4.120 -9.944 5.452) 12.066 4.715 ( -4.883 -12.004 -7.550) 14.998 10.295 ( 0.918 0.091 -0.069) 0.925 10.338 ( 1.834 -0.681 -0.899) 2.153 10.379 ( 0.635 -0.605 0.483) 1.001 10.402 ( 1.326 -0.215 -0.056) 1.344 10.428 ( 0.301 0.119 1.006) 1.057 10.497 ( -0.349 0.881 0.823) 1.255 10.525 ( -0.052 4.299 -0.045) 4.299 10.671 ( -2.041 2.078 -1.875) 3.464 14.706 ( -1.933 0.117 0.349) 1.968 14.749 ( -1.336 -0.507 -0.776) 1.626 14.770 ( -0.385 -0.642 0.150) 0.764 14.801 ( -0.232 -0.349 -0.609) 0.739 14.943 ( 0.761 0.387 -1.265) 1.526 14.952 ( 0.878 -0.334 -0.892) 1.295 15.066 ( -1.208 -0.093 1.671) 2.064 15.072 ( -0.958 -0.182 1.242) 1.579 15.165 ( -0.629 2.477 0.854) 2.695 15.269 ( -2.233 0.859 -0.402) 2.426 15.276 ( -3.371 1.767 0.043) 3.806 15.337 ( -2.189 1.172 0.738) 2.590 19.612 ( 16.129 -4.352 -2.375) 16.874 19.657 ( 10.948 -2.827 -2.968) 11.690 19.803 ( 3.816 -2.803 4.552) 6.568 20.024 ( 3.458 -5.743 -2.081) 7.019 28.747 ( 1.469 -0.409 -0.058) 1.526 28.772 ( 0.544 0.364 -0.467) 0.804 28.843 ( 0.270 -1.363 0.321) 1.426 28.873 ( -0.140 -1.770 -0.403) 1.821 33.338 ( 0.828 -1.014 1.542) 2.023 33.446 ( -0.704 -1.539 5.582) 5.833 33.567 ( 1.329 -4.712 -3.694) 6.133 33.639 ( -0.322 -3.613 -0.397) 3.649 33.791 ( 2.986 5.106 0.623) 5.948 33.819 ( 3.961 4.691 -0.120) 6.141 34.659 ( -9.108 5.497 1.948) 10.815 34.860 ( -18.246 7.832 -3.307) 20.129 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( 13.933 8.526 3.165) 16.638 1.150 ( 8.863 11.585 5.160) 15.472 1.262 ( 3.657 15.165 0.965) 15.629 1.382 ( 5.936 1.792 -2.051) 6.531 1.428 ( 4.002 5.773 -0.307) 7.031 1.543 ( -4.037 8.985 1.105) 9.912 1.686 ( 0.686 2.472 -4.902) 5.533 1.741 ( 5.537 3.095 3.281) 7.142 1.824 ( 2.399 -0.058 2.168) 3.234 1.896 ( -0.657 2.426 -5.450) 6.002 1.917 ( 1.768 -0.932 -0.739) 2.131 2.009 ( -0.018 3.049 -0.838) 3.162 2.030 ( 0.937 0.436 1.405) 1.744 2.070 ( -3.027 4.887 -0.346) 5.759 2.142 ( 3.014 0.253 0.697) 3.104 2.184 ( 1.769 0.675 0.806) 2.058 2.189 ( -1.256 3.369 1.510) 3.900 2.256 ( 1.174 -0.734 1.216) 1.842 2.282 ( -0.876 1.850 2.884) 3.537 2.286 ( 3.132 0.159 1.930) 3.682 2.327 ( -0.500 2.080 4.648) 5.117 2.357 ( 1.472 -2.160 -1.685) 3.111 2.426 ( 3.036 7.163 -0.468) 7.794 2.466 ( -2.701 -0.195 0.521) 2.758 2.566 ( 0.909 -0.332 -1.862) 2.098 2.576 ( -0.702 -1.298 -3.597) 3.888 2.646 ( 1.970 3.833 -0.505) 4.339 2.790 ( -3.481 3.858 -4.107) 6.623 2.812 ( -0.799 3.967 -1.309) 4.254 2.877 ( 1.307 3.459 -3.121) 4.839 2.954 ( -1.025 1.500 1.137) 2.143 2.966 ( 0.611 4.078 -0.560) 4.162 3.054 ( -5.467 2.576 1.064) 6.136 3.072 ( -2.025 3.475 1.224) 4.205 3.127 ( -2.245 2.034 2.602) 3.994 3.239 ( 1.247 2.225 -0.914) 2.710 3.301 ( -0.166 3.499 -1.763) 3.922 3.364 ( 0.870 1.277 1.614) 2.234 3.433 ( -2.019 0.657 -0.547) 2.192 3.482 ( -3.126 -1.202 -3.397) 4.770 3.597 ( 2.357 0.418 0.975) 2.585 3.691 ( 1.338 5.207 0.077) 5.376 3.714 ( 1.278 1.570 -0.446) 2.073 3.738 ( -1.262 -0.664 1.217) 1.875 3.862 ( 1.225 -1.191 6.770) 6.982 3.945 ( -0.478 -7.718 4.751) 9.076 4.136 ( 7.988 -11.124 -1.675) 13.797 4.557 ( -9.750 -12.039 -6.291) 16.721 10.319 ( 1.313 0.162 0.441) 1.395 10.359 ( -0.086 -0.582 0.242) 0.636 10.422 ( 0.838 -0.940 1.062) 1.647 10.426 ( 3.488 1.473 0.090) 3.787 10.438 ( 0.322 -1.053 0.266) 1.132 10.487 ( -0.140 3.047 -1.271) 3.305 10.522 ( -0.364 3.241 0.334) 3.278 10.610 ( -3.623 1.435 -1.441) 4.155 14.677 ( -0.551 -0.381 0.202) 0.700 14.714 ( -1.703 -0.480 -0.802) 1.942 14.765 ( -0.013 -0.700 0.237) 0.739 14.790 ( -0.782 -0.319 -0.468) 0.965 14.968 ( 1.480 0.348 -0.711) 1.679 14.976 ( 1.309 -0.097 -0.742) 1.508 15.037 ( -1.380 0.252 1.242) 1.874 15.045 ( -1.534 -0.248 0.526) 1.641 15.153 ( -0.344 2.126 1.214) 2.472 15.193 ( -2.672 2.030 1.580) 3.710 15.254 ( -0.510 0.982 -1.556) 1.909 15.289 ( -2.067 1.118 -0.345) 2.375 19.803 ( 6.898 -1.908 -0.247) 7.161 19.875 ( 3.239 -2.536 2.837) 4.997 20.003 ( 12.342 -11.952 -4.288) 17.707 20.109 ( 3.902 -7.411 -2.630) 8.778 28.778 ( 1.150 -1.231 -0.471) 1.749 28.785 ( 0.579 -0.208 -0.432) 0.752 28.851 ( 0.435 -1.537 -0.004) 1.598 28.869 ( -0.297 -1.810 -0.424) 1.882 33.362 ( 1.418 -1.078 2.508) 3.076 33.425 ( -1.281 -1.311 4.843) 5.179 33.593 ( 1.083 -4.525 -2.929) 5.498 33.628 ( -0.638 -3.605 -1.056) 3.810 33.894 ( 6.972 7.393 0.878) 10.200 33.954 ( 8.890 5.570 -0.570) 10.506 34.389 ( -15.469 10.718 1.655) 18.892 34.486 ( -15.527 8.212 -0.670) 17.578 ======================= Grid point 80 (32/60) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -2.030 15.605 2.905) 16.002 1.266 ( 2.030 15.605 2.905) 16.002 1.379 ( -9.802 8.137 2.347) 12.953 1.379 ( 9.802 8.137 2.347) 12.953 1.453 ( -0.548 5.867 -0.729) 5.938 1.453 ( 0.548 5.867 -0.729) 5.938 1.802 ( -5.894 2.653 -6.971) 9.507 1.802 ( 5.894 2.653 -6.971) 9.507 1.860 ( -5.333 -1.874 -0.265) 5.659 1.860 ( 5.333 -1.874 -0.265) 5.659 1.921 ( -3.298 -0.339 -0.697) 3.388 1.921 ( 3.298 -0.339 -0.697) 3.388 2.098 ( -2.446 0.826 2.736) 3.762 2.098 ( 2.446 0.826 2.736) 3.762 2.143 ( -3.396 2.840 2.620) 5.144 2.143 ( 3.396 2.840 2.620) 5.144 2.221 ( -4.100 -1.059 3.015) 5.198 2.221 ( 4.100 -1.059 3.015) 5.198 2.279 ( -0.948 -2.138 0.498) 2.392 2.279 ( 0.948 -2.138 0.498) 2.392 2.353 ( -1.896 -0.784 1.456) 2.516 2.353 ( 1.896 -0.784 1.456) 2.516 2.476 ( -0.519 7.989 -0.985) 8.066 2.476 ( 0.519 7.989 -0.985) 8.066 2.584 ( -0.599 1.011 -3.449) 3.644 2.584 ( 0.599 1.011 -3.449) 3.644 2.710 ( -3.688 3.570 -2.087) 5.541 2.710 ( 3.688 3.570 -2.087) 5.541 2.831 ( -3.187 3.298 -0.140) 4.588 2.831 ( 3.187 3.298 -0.140) 4.588 2.956 ( -2.440 0.914 0.016) 2.606 2.956 ( 2.440 0.914 0.016) 2.606 3.029 ( -2.632 4.643 0.721) 5.385 3.029 ( 2.632 4.643 0.721) 5.385 3.164 ( -5.626 3.951 2.123) 7.195 3.164 ( 5.626 3.951 2.123) 7.195 3.352 ( -2.664 3.038 0.593) 4.084 3.352 ( 2.664 3.038 0.593) 4.084 3.421 ( -1.890 -1.396 -4.277) 4.880 3.421 ( 1.890 -1.396 -4.277) 4.880 3.669 ( -3.826 -2.437 4.691) 6.526 3.669 ( 3.826 -2.437 4.691) 6.526 3.724 ( -0.583 5.941 -0.938) 6.043 3.724 ( 0.583 5.941 -0.938) 6.043 3.910 ( -2.613 -4.249 3.799) 6.271 3.910 ( 2.613 -4.249 3.799) 6.271 4.334 ( -10.637 -12.327 -4.559) 16.908 4.334 ( 10.637 -12.327 -4.559) 16.908 10.346 ( -1.102 -0.050 0.953) 1.458 10.346 ( 1.102 -0.050 0.953) 1.458 10.433 ( -0.537 -0.502 0.284) 0.788 10.433 ( 0.537 -0.502 0.284) 0.788 10.493 ( -0.401 3.015 -0.664) 3.113 10.493 ( 0.401 3.015 -0.664) 3.113 10.529 ( -3.104 1.178 -0.596) 3.374 10.529 ( 3.104 1.178 -0.596) 3.374 14.684 ( -1.053 -0.621 -0.399) 1.286 14.684 ( 1.053 -0.621 -0.399) 1.286 14.773 ( -0.715 -0.515 -0.104) 0.887 14.773 ( 0.715 -0.515 -0.104) 0.887 14.997 ( -0.459 0.422 -0.243) 0.669 14.997 ( 0.459 0.422 -0.243) 0.669 15.016 ( -0.431 -0.188 0.269) 0.542 15.016 ( 0.431 -0.188 0.269) 0.542 15.157 ( -0.855 1.907 1.416) 2.524 15.157 ( 0.855 1.907 1.416) 2.524 15.258 ( -0.870 1.028 -1.008) 1.682 15.258 ( 0.870 1.028 -1.008) 1.682 19.895 ( -1.626 -2.235 1.702) 3.246 19.895 ( 1.626 -2.235 1.702) 3.246 20.145 ( -1.603 -10.302 -3.699) 11.063 20.145 ( 1.603 -10.302 -3.699) 11.063 28.791 ( -0.108 -0.872 -0.460) 0.992 28.791 ( 0.108 -0.872 -0.460) 0.992 28.860 ( -0.457 -1.787 -0.323) 1.873 28.860 ( 0.457 -1.787 -0.323) 1.873 33.394 ( -1.579 -1.168 3.728) 4.214 33.394 ( 1.579 -1.168 3.728) 4.214 33.613 ( -0.821 -3.962 -1.920) 4.478 33.613 ( 0.821 -3.962 -1.920) 4.478 34.087 ( -10.925 10.889 1.036) 15.460 34.087 ( 10.925 10.889 1.036) 15.460 34.192 ( -11.998 6.043 -0.403) 13.440 34.192 ( 11.998 6.043 -0.403) 13.440 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 0.000 2.736 0.989) 2.909 0.767 ( 0.000 -3.643 -3.169) 4.829 1.202 ( 0.000 10.215 10.772) 14.845 1.413 ( 0.000 7.654 1.959) 7.901 1.557 ( 0.000 12.006 -4.714) 12.898 1.635 ( 0.000 1.758 -1.589) 2.370 1.742 ( 0.000 0.724 -1.250) 1.444 1.781 ( 0.000 4.006 -3.416) 5.265 1.826 ( 0.000 4.398 -1.636) 4.692 1.894 ( 0.000 -1.514 -3.153) 3.498 1.895 ( 0.000 -2.416 -4.046) 4.712 1.960 ( 0.000 -1.249 -1.663) 2.080 1.999 ( 0.000 -4.808 -3.365) 5.868 2.037 ( 0.000 -1.834 1.316) 2.257 2.038 ( 0.000 -0.896 -0.257) 0.932 2.119 ( 0.000 -2.088 -1.403) 2.515 2.126 ( 0.000 8.212 2.140) 8.486 2.245 ( 0.000 0.833 -6.801) 6.852 2.373 ( 0.000 3.902 0.058) 3.903 2.391 ( 0.000 6.182 7.384) 9.630 2.412 ( 0.000 3.391 4.040) 5.274 2.452 ( 0.000 8.945 2.133) 9.196 2.506 ( 0.000 -7.097 -2.641) 7.572 2.529 ( 0.000 0.014 -2.943) 2.943 2.549 ( 0.000 7.619 3.664) 8.454 2.644 ( 0.000 -0.502 3.729) 3.762 2.792 ( 0.000 -0.698 -0.950) 1.179 2.854 ( 0.000 7.940 1.000) 8.003 2.883 ( 0.000 0.394 0.648) 0.758 2.958 ( 0.000 0.056 -3.939) 3.939 3.027 ( 0.000 2.747 -3.643) 4.562 3.040 ( 0.000 -6.657 1.814) 6.900 3.131 ( 0.000 -0.318 -2.585) 2.605 3.175 ( 0.000 2.092 -0.634) 2.186 3.184 ( 0.000 2.443 -1.549) 2.893 3.243 ( 0.000 -0.239 -2.973) 2.982 3.304 ( 0.000 6.921 0.728) 6.959 3.382 ( 0.000 -6.405 0.519) 6.426 3.437 ( 0.000 1.283 0.204) 1.300 3.499 ( 0.000 1.150 0.796) 1.398 3.617 ( 0.000 -4.378 1.502) 4.629 3.670 ( 0.000 -6.860 1.816) 7.096 3.682 ( 0.000 -0.248 2.992) 3.002 3.778 ( 0.000 -4.617 0.144) 4.620 3.817 ( 0.000 7.504 4.709) 8.859 3.859 ( 0.000 5.793 0.174) 5.796 3.886 ( 0.000 4.148 4.138) 5.859 4.471 ( 0.000 -16.548 -5.881) 17.562 10.286 ( 0.000 0.328 -0.126) 0.351 10.307 ( 0.000 -0.463 -0.124) 0.480 10.349 ( 0.000 -0.967 -1.250) 1.581 10.360 ( 0.000 -1.306 -1.004) 1.647 10.456 ( 0.000 1.774 2.336) 2.933 10.500 ( 0.000 -0.258 2.814) 2.825 10.628 ( 0.000 4.673 -1.202) 4.825 10.722 ( 0.000 0.358 -2.023) 2.055 14.737 ( 0.000 0.352 0.108) 0.369 14.760 ( 0.000 -0.014 -0.408) 0.408 14.764 ( 0.000 -0.368 -0.123) 0.388 14.792 ( 0.000 -0.704 -0.671) 0.973 14.943 ( 0.000 0.695 -0.117) 0.705 14.955 ( 0.000 0.860 -1.054) 1.360 15.077 ( 0.000 0.037 0.833) 0.834 15.079 ( 0.000 -0.153 1.439) 1.448 15.222 ( 0.000 2.086 -0.817) 2.240 15.282 ( 0.000 -0.724 -2.466) 2.570 15.347 ( 0.000 0.204 2.246) 2.256 15.371 ( 0.000 -0.221 1.717) 1.731 19.414 ( 0.000 3.329 1.214) 3.544 19.549 ( 0.000 -1.799 -2.791) 3.321 19.722 ( 0.000 0.058 3.016) 3.017 19.870 ( 0.000 -5.634 -1.305) 5.784 28.747 ( 0.000 1.196 0.422) 1.268 28.781 ( 0.000 0.988 -0.364) 1.053 28.809 ( 0.000 -1.623 0.401) 1.671 28.838 ( 0.000 -1.741 -0.276) 1.763 33.328 ( 0.000 1.022 -0.692) 1.234 33.440 ( 0.000 0.390 3.795) 3.815 33.455 ( 0.000 -4.603 -3.498) 5.781 33.550 ( 0.000 -4.664 0.735) 4.722 33.841 ( 0.000 3.024 0.492) 3.064 33.850 ( 0.000 2.578 0.230) 2.588 34.877 ( 0.000 6.464 1.708) 6.686 35.076 ( 0.000 -2.315 -3.330) 4.056 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.17 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 15.282 2.372 1.616) 15.549 0.972 ( 16.121 -1.353 -2.966) 16.447 1.267 ( 6.138 9.045 9.160) 14.262 1.449 ( 3.006 7.078 1.945) 7.932 1.570 ( 1.089 11.941 -4.378) 12.765 1.666 ( 2.138 3.383 -2.882) 4.932 1.749 ( 0.727 0.439 -0.107) 0.856 1.805 ( -0.055 2.748 -1.278) 3.031 1.823 ( 0.983 4.311 -2.387) 5.025 1.899 ( 1.209 1.101 -4.488) 4.776 1.911 ( 0.908 -1.138 -3.042) 3.372 1.974 ( 0.492 -2.685 -2.502) 3.703 2.009 ( 0.512 -3.911 -3.117) 5.027 2.057 ( 2.033 -1.648 2.121) 3.369 2.089 ( 3.909 -1.441 1.491) 4.424 2.120 ( 0.613 -1.799 -2.174) 2.887 2.156 ( 2.424 2.625 2.008) 4.099 2.259 ( 1.969 3.107 -5.883) 6.938 2.314 ( -4.308 0.901 -0.390) 4.418 2.369 ( -3.292 2.841 4.032) 5.930 2.396 ( 0.195 5.256 4.838) 7.147 2.425 ( -5.795 -0.916 0.588) 5.896 2.515 ( -0.424 -4.271 -0.699) 4.349 2.534 ( 0.390 0.762 -0.258) 0.894 2.561 ( 3.678 10.043 2.102) 10.900 2.607 ( -0.530 7.020 3.246) 7.752 2.776 ( -1.691 4.746 -2.178) 5.489 2.849 ( 0.205 2.617 -0.620) 2.697 2.888 ( -1.417 -1.720 -1.846) 2.894 2.943 ( -0.663 1.822 -0.951) 2.160 2.989 ( -1.140 -0.809 -0.824) 1.623 3.032 ( -1.805 2.450 -0.477) 3.081 3.127 ( 0.043 -1.164 1.169) 1.651 3.171 ( 0.699 1.821 -1.838) 2.680 3.241 ( 0.267 2.697 -4.385) 5.155 3.272 ( 3.869 -1.262 0.351) 4.085 3.305 ( -0.376 6.047 0.852) 6.118 3.365 ( 0.443 -2.653 -0.012) 2.689 3.444 ( -0.169 -0.110 1.472) 1.486 3.478 ( -2.393 0.812 1.466) 2.922 3.593 ( -0.981 -4.142 1.666) 4.571 3.643 ( -1.071 -0.923 1.778) 2.271 3.699 ( 0.154 -8.661 5.253) 10.130 3.761 ( -0.820 -3.271 -1.219) 3.586 3.846 ( 1.344 7.691 0.201) 7.811 3.859 ( 0.371 3.198 0.150) 3.223 3.919 ( 2.576 2.391 4.484) 5.697 4.439 ( -3.484 -15.128 -5.382) 16.431 10.300 ( 1.095 0.461 -0.095) 1.192 10.325 ( 1.582 -0.606 -0.457) 1.755 10.358 ( 0.878 -0.828 -0.002) 1.207 10.376 ( 1.386 -1.530 -0.776) 2.206 10.458 ( 0.267 1.891 1.904) 2.697 10.505 ( 0.486 -0.146 1.619) 1.697 10.619 ( -0.894 4.288 -0.952) 4.483 10.699 ( -2.096 0.506 -1.825) 2.825 14.718 ( -1.470 0.866 0.211) 1.719 14.750 ( -1.096 0.552 -0.576) 1.355 14.756 ( -0.438 -0.759 0.222) 0.904 14.790 ( -0.227 -0.804 -0.633) 1.048 14.950 ( 0.752 0.729 -0.086) 1.051 14.966 ( 0.895 0.784 -0.878) 1.478 15.067 ( -0.883 0.204 1.004) 1.352 15.070 ( -0.810 0.018 1.008) 1.293 15.209 ( -1.055 1.823 -0.629) 2.198 15.270 ( -1.071 -0.778 -2.061) 2.449 15.300 ( -3.460 1.055 2.018) 4.142 15.345 ( -2.245 -0.413 1.195) 2.576 19.558 ( 11.771 -0.443 0.081) 11.779 19.625 ( 6.545 -1.862 -1.962) 7.082 19.767 ( 3.802 -0.052 2.618) 4.616 19.904 ( 2.964 -5.633 -1.291) 6.494 28.754 ( 0.621 0.919 0.321) 1.155 28.784 ( 0.220 0.847 -0.352) 0.943 28.812 ( 0.256 -1.610 0.318) 1.661 28.837 ( -0.102 -1.693 -0.271) 1.717 33.336 ( 0.793 1.015 -0.394) 1.347 33.435 ( -0.497 0.463 3.430) 3.497 33.467 ( 1.014 -4.780 -3.240) 5.863 33.548 ( -0.253 -4.641 0.428) 4.667 33.884 ( 4.193 3.601 0.629) 5.563 33.900 ( 4.825 2.870 0.194) 5.617 34.784 ( -8.441 6.343 1.452) 10.658 34.937 ( -12.183 0.406 -2.334) 12.411 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.33 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 17.098 3.691 2.074) 17.614 1.312 ( 13.945 4.528 -0.822) 14.684 1.448 ( 10.102 4.463 3.850) 11.695 1.514 ( 2.521 7.684 1.420) 8.211 1.592 ( 0.801 10.489 -3.255) 11.012 1.704 ( 2.008 4.368 -3.087) 5.713 1.740 ( -3.371 4.857 -0.376) 5.924 1.788 ( -1.440 0.923 -0.733) 1.861 1.834 ( 2.040 2.895 1.630) 3.899 1.904 ( -1.292 0.250 -0.507) 1.411 1.957 ( 0.827 2.216 -4.637) 5.205 1.990 ( -0.055 -2.756 -3.270) 4.277 2.017 ( 1.372 -4.097 -3.622) 5.638 2.051 ( -3.112 -4.543 0.540) 5.533 2.115 ( -1.313 -2.355 -0.382) 2.724 2.164 ( -3.187 -2.675 -1.390) 4.387 2.171 ( 2.142 -1.623 -0.122) 2.690 2.221 ( -1.332 -1.893 -3.360) 4.080 2.245 ( -3.986 -4.356 -1.249) 6.035 2.313 ( -2.254 0.235 1.152) 2.542 2.378 ( 3.023 5.924 5.323) 8.519 2.411 ( -0.279 4.887 7.491) 8.948 2.534 ( 3.508 -0.590 -1.806) 3.990 2.553 ( 1.602 0.615 -1.359) 2.188 2.608 ( 2.936 7.829 0.883) 8.408 2.675 ( 4.257 11.614 -0.983) 12.409 2.760 ( 0.516 6.228 -1.711) 6.479 2.845 ( -1.324 1.028 -2.196) 2.763 2.846 ( -1.199 -0.307 -1.337) 1.823 2.902 ( -2.433 1.417 -1.114) 3.027 2.995 ( -0.933 1.692 -1.762) 2.615 3.001 ( 0.079 0.452 2.753) 2.791 3.142 ( -0.957 4.278 1.674) 4.692 3.155 ( 0.914 3.474 2.534) 4.396 3.228 ( -3.783 4.548 0.163) 5.918 3.258 ( 0.954 0.427 -2.632) 2.832 3.371 ( 2.827 0.756 -0.627) 2.992 3.401 ( 0.957 2.090 1.579) 2.788 3.412 ( -2.259 -0.951 1.915) 3.111 3.442 ( 0.084 -0.568 -0.247) 0.625 3.565 ( -1.191 -2.594 2.618) 3.873 3.657 ( -2.848 -3.975 4.232) 6.467 3.667 ( 2.185 -5.325 1.052) 5.852 3.767 ( -0.031 -6.240 -0.838) 6.297 3.857 ( 1.452 5.358 0.191) 5.555 3.893 ( 1.644 1.759 -1.228) 2.703 3.975 ( 3.428 -2.188 1.681) 4.400 4.313 ( -8.339 -11.937 -4.074) 15.120 10.326 ( 1.302 0.605 0.194) 1.448 10.352 ( 0.632 -0.177 -0.087) 0.662 10.386 ( 1.313 -1.528 0.872) 2.196 10.402 ( 0.733 -1.797 0.248) 1.956 10.479 ( 2.143 2.365 0.557) 3.240 10.524 ( 1.333 0.583 -0.447) 1.522 10.593 ( -1.531 3.181 -0.527) 3.570 10.638 ( -3.607 0.938 -1.295) 3.945 14.692 ( -0.706 1.452 0.305) 1.643 14.722 ( -1.462 1.081 -0.497) 1.885 14.749 ( 0.006 -0.916 0.341) 0.978 14.779 ( -0.848 -0.925 -0.408) 1.319 14.974 ( 1.458 0.674 0.034) 1.607 14.990 ( 1.317 0.683 -0.499) 1.565 15.044 ( -1.302 0.389 0.517) 1.454 15.047 ( -1.309 0.351 0.786) 1.566 15.189 ( -0.646 1.474 -0.050) 1.610 15.227 ( -2.623 1.562 1.380) 3.350 15.255 ( -0.577 -0.871 -1.395) 1.743 15.294 ( -2.290 -0.717 0.147) 2.404 19.767 ( 6.776 -1.399 -0.296) 6.925 19.818 ( 9.505 -4.520 -1.317) 10.607 19.851 ( 3.867 -1.302 1.686) 4.415 19.969 ( 2.338 -6.019 -1.363) 6.599 28.770 ( 0.824 0.428 0.081) 0.933 28.788 ( 0.080 0.517 -0.295) 0.601 28.819 ( 0.361 -1.554 0.133) 1.601 28.833 ( -0.252 -1.592 -0.213) 1.626 33.360 ( 1.352 0.972 0.434) 1.720 33.418 ( -1.112 0.706 2.701) 3.005 33.492 ( 1.252 -5.000 -2.627) 5.785 33.538 ( -0.758 -4.688 -0.427) 4.768 34.023 ( 9.086 4.914 0.836) 10.363 34.055 ( 9.825 3.581 0.061) 10.457 34.547 ( -13.328 6.200 1.054) 14.737 34.626 ( -15.955 3.896 -0.827) 16.445 ======================= Grid point 87 (36/60) ======================= q-point: (-0.50 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( -5.454 7.374 1.196) 9.250 1.504 ( 5.454 7.374 1.196) 9.250 1.534 ( -5.993 6.053 0.579) 8.537 1.534 ( 5.993 6.053 0.579) 8.537 1.623 ( -4.352 10.656 -0.219) 11.513 1.623 ( 4.352 10.656 -0.219) 11.513 1.799 ( -4.979 -2.634 0.833) 5.694 1.799 ( 4.979 -2.634 0.833) 5.694 1.829 ( -5.794 0.009 -3.267) 6.651 1.829 ( 5.794 0.009 -3.267) 6.651 1.939 ( -0.156 1.054 -2.044) 2.305 1.939 ( 0.156 1.054 -2.044) 2.305 2.050 ( -1.331 -5.406 -0.859) 5.634 2.050 ( 1.331 -5.406 -0.859) 5.634 2.095 ( -1.605 -2.756 -1.103) 3.375 2.095 ( 1.605 -2.756 -1.103) 3.375 2.209 ( -1.080 -2.310 -1.962) 3.218 2.209 ( 1.080 -2.310 -1.962) 3.218 2.230 ( -2.559 -2.781 -1.940) 4.248 2.230 ( 2.559 -2.781 -1.940) 4.248 2.420 ( -0.662 6.247 6.987) 9.396 2.420 ( 0.662 6.247 6.987) 9.396 2.581 ( -0.524 0.434 -1.597) 1.736 2.581 ( 0.524 0.434 -1.597) 1.736 2.692 ( -3.322 8.808 -1.191) 9.488 2.692 ( 3.322 8.808 -1.191) 9.488 2.796 ( -2.696 3.952 -1.514) 5.018 2.796 ( 2.696 3.952 -1.514) 5.018 2.866 ( -1.909 0.750 -0.805) 2.203 2.866 ( 1.909 0.750 -0.805) 2.203 2.978 ( -1.191 1.848 1.431) 2.623 2.978 ( 1.191 1.848 1.431) 2.623 3.143 ( -2.965 5.727 0.667) 6.483 3.143 ( 2.965 5.727 0.667) 6.483 3.235 ( -3.388 1.607 1.357) 3.988 3.235 ( 3.388 1.607 1.357) 3.988 3.391 ( -0.944 -0.804 0.912) 1.540 3.391 ( 0.944 -0.804 0.912) 1.540 3.426 ( -2.087 2.780 -1.314) 3.717 3.426 ( 2.087 2.780 -1.314) 3.717 3.585 ( -3.039 -3.393 4.744) 6.577 3.585 ( 3.039 -3.393 4.744) 6.577 3.730 ( -2.916 -5.779 -0.779) 6.520 3.730 ( 2.916 -5.779 -0.779) 6.520 3.896 ( -1.324 2.687 0.090) 2.997 3.896 ( 1.324 2.687 0.090) 2.997 4.115 ( -9.424 -8.273 -2.180) 12.728 4.115 ( 9.424 -8.273 -2.180) 12.728 10.350 ( -0.767 0.536 0.709) 1.174 10.350 ( 0.767 0.536 0.709) 1.174 10.403 ( -0.460 -1.885 0.302) 1.964 10.403 ( 0.460 -1.885 0.302) 1.964 10.545 ( -2.663 2.100 -0.586) 3.442 10.545 ( 2.663 2.100 -0.586) 3.442 10.565 ( -1.729 1.432 -0.622) 2.329 10.565 ( 1.729 1.432 -0.622) 2.329 14.695 ( -0.902 1.450 -0.064) 1.709 14.695 ( 0.902 1.450 -0.064) 1.709 14.759 ( -0.859 -0.992 0.028) 1.313 14.759 ( 0.859 -0.992 0.028) 1.313 15.007 ( -1.292 0.646 0.091) 1.448 15.007 ( 1.292 0.646 0.091) 1.448 15.021 ( -0.875 0.428 0.263) 1.008 15.021 ( 0.875 0.428 0.263) 1.008 15.190 ( -0.859 1.537 0.711) 1.899 15.190 ( 0.859 1.537 0.711) 1.899 15.259 ( -0.944 -0.941 -0.782) 1.546 15.259 ( 0.944 -0.941 -0.782) 1.546 19.861 ( -1.839 -0.757 0.769) 2.132 19.861 ( 1.839 -0.757 0.769) 2.132 19.968 ( -3.073 -6.708 -1.491) 7.527 19.968 ( 3.073 -6.708 -1.491) 7.527 28.784 ( -0.441 0.268 -0.155) 0.539 28.784 ( 0.441 0.268 -0.155) 0.539 28.827 ( -0.355 -1.523 -0.064) 1.565 28.827 ( 0.355 -1.523 -0.064) 1.565 33.390 ( -1.478 0.870 1.576) 2.329 33.390 ( 1.478 0.870 1.576) 2.329 33.517 ( -1.141 -4.867 -1.550) 5.234 33.517 ( 1.141 -4.867 -1.550) 5.234 34.259 ( -12.371 6.142 0.776) 13.834 34.259 ( 12.371 6.142 0.776) 13.834 34.308 ( -13.164 4.177 -0.022) 13.811 34.308 ( 13.164 4.177 -0.022) 13.811 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 -1.124 -2.525) 2.764 0.720 ( 0.000 1.124 -2.525) 2.764 1.387 ( 0.000 -7.096 7.444) 10.284 1.387 ( 0.000 7.096 7.444) 10.284 1.728 ( 0.000 -0.471 -4.168) 4.194 1.728 ( 0.000 0.471 -4.168) 4.194 1.793 ( 0.000 -4.304 -0.720) 4.364 1.793 ( 0.000 4.304 -0.720) 4.364 1.830 ( 0.000 -1.423 -2.080) 2.520 1.830 ( 0.000 1.423 -2.080) 2.520 1.900 ( 0.000 -4.181 -5.031) 6.541 1.900 ( 0.000 4.181 -5.031) 6.541 2.003 ( 0.000 -2.038 1.767) 2.697 2.003 ( 0.000 2.038 1.767) 2.697 2.046 ( 0.000 -3.708 -6.919) 7.850 2.046 ( 0.000 3.708 -6.919) 7.850 2.239 ( 0.000 -2.854 -4.293) 5.155 2.239 ( 0.000 2.854 -4.293) 5.155 2.412 ( 0.000 -0.709 0.195) 0.736 2.412 ( 0.000 0.709 0.195) 0.736 2.441 ( 0.000 -0.144 3.651) 3.654 2.441 ( 0.000 0.144 3.651) 3.654 2.499 ( 0.000 -2.848 -0.038) 2.849 2.499 ( 0.000 2.848 -0.038) 2.849 2.754 ( 0.000 -5.546 1.863) 5.851 2.754 ( 0.000 5.546 1.863) 5.851 2.807 ( 0.000 -9.998 1.838) 10.166 2.807 ( 0.000 9.998 1.838) 10.166 2.922 ( 0.000 -1.835 5.246) 5.557 2.922 ( 0.000 1.835 5.246) 5.557 3.012 ( 0.000 -5.270 -1.305) 5.430 3.012 ( 0.000 5.270 -1.305) 5.430 3.143 ( 0.000 -2.766 -2.165) 3.512 3.143 ( 0.000 2.766 -2.165) 3.512 3.211 ( 0.000 -1.899 -2.255) 2.948 3.211 ( 0.000 1.899 -2.255) 2.948 3.364 ( 0.000 -2.680 1.184) 2.930 3.364 ( 0.000 2.680 1.184) 2.930 3.487 ( 0.000 -4.022 -0.103) 4.024 3.487 ( 0.000 4.022 -0.103) 4.024 3.564 ( 0.000 -1.036 3.163) 3.329 3.564 ( 0.000 1.036 3.163) 3.329 3.706 ( 0.000 -2.351 1.232) 2.654 3.706 ( 0.000 2.351 1.232) 2.654 3.929 ( 0.000 -0.545 0.650) 0.848 3.929 ( 0.000 0.545 0.650) 0.849 4.110 ( 0.000 -18.020 -1.970) 18.127 4.110 ( 0.000 18.020 -1.970) 18.127 10.296 ( 0.000 -0.563 0.076) 0.568 10.296 ( 0.000 0.563 0.076) 0.568 10.342 ( 0.000 -0.336 -1.323) 1.365 10.342 ( 0.000 0.336 -1.323) 1.365 10.487 ( 0.000 -1.110 2.721) 2.939 10.487 ( 0.000 1.110 2.721) 2.939 10.702 ( 0.000 -2.359 -1.742) 2.932 10.702 ( 0.000 2.359 -1.742) 2.932 14.747 ( 0.000 -0.659 0.107) 0.668 14.747 ( 0.000 0.659 0.107) 0.668 14.775 ( 0.000 -0.848 -0.637) 1.061 14.775 ( 0.000 0.848 -0.637) 1.061 14.959 ( 0.000 -0.545 0.097) 0.554 14.959 ( 0.000 0.545 0.097) 0.554 15.078 ( 0.000 -0.010 0.552) 0.553 15.078 ( 0.000 0.010 0.552) 0.553 15.258 ( 0.000 -1.506 -2.067) 2.557 15.258 ( 0.000 1.506 -2.067) 2.557 15.358 ( 0.000 -0.803 2.270) 2.408 15.358 ( 0.000 0.803 2.270) 2.408 19.488 ( 0.000 -3.732 0.090) 3.733 19.488 ( 0.000 3.732 0.090) 3.733 19.768 ( 0.000 -4.023 -0.041) 4.023 19.768 ( 0.000 4.023 -0.041) 4.023 28.776 ( 0.000 -1.588 0.409) 1.640 28.776 ( 0.000 1.588 0.409) 1.640 28.806 ( 0.000 -1.407 -0.271) 1.432 28.806 ( 0.000 1.407 -0.271) 1.432 33.372 ( 0.000 -3.280 -2.337) 4.028 33.372 ( 0.000 3.280 -2.337) 4.028 33.472 ( 0.000 -2.776 2.137) 3.503 33.472 ( 0.000 2.776 2.137) 3.503 33.875 ( 0.000 -0.228 0.423) 0.480 33.875 ( 0.000 0.228 0.423) 0.480 34.999 ( 0.000 -5.150 -0.464) 5.171 34.999 ( 0.000 5.150 -0.464) 5.171 ======================= Grid point 93 (38/60) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 16.525 -2.827 -1.589) 16.840 0.924 ( 16.525 2.827 -1.589) 16.840 1.436 ( 4.363 -6.264 6.417) 9.972 1.436 ( 4.363 6.264 6.417) 9.972 1.761 ( 1.865 -1.110 -3.997) 4.548 1.761 ( 1.865 1.110 -3.997) 4.548 1.803 ( 1.016 -1.735 -0.417) 2.053 1.803 ( 1.016 1.735 -0.417) 2.053 1.833 ( 0.255 -4.817 -3.075) 5.721 1.833 ( 0.255 4.817 -3.075) 5.721 1.912 ( 1.376 -3.053 -4.869) 5.909 1.912 ( 1.376 3.053 -4.869) 5.909 2.021 ( 0.652 -3.668 0.095) 3.727 2.021 ( 0.652 3.668 0.095) 3.727 2.070 ( 2.218 -1.103 -3.488) 4.278 2.070 ( 2.218 1.103 -3.488) 4.278 2.218 ( -2.514 -3.670 -2.457) 5.081 2.218 ( -2.514 3.670 -2.457) 5.081 2.372 ( -1.653 -3.979 -1.414) 4.535 2.372 ( -1.653 3.979 -1.414) 4.535 2.434 ( -1.809 -2.149 3.146) 4.218 2.434 ( -1.809 2.149 3.146) 4.218 2.503 ( 0.216 -2.927 2.298) 3.727 2.503 ( 0.216 2.927 2.298) 3.727 2.758 ( 0.221 -1.757 -1.200) 2.140 2.758 ( 0.221 1.757 -1.200) 2.140 2.779 ( -0.306 -5.351 0.837) 5.424 2.779 ( -0.306 5.351 0.837) 5.424 2.944 ( 0.031 -3.030 2.449) 3.897 2.944 ( 0.031 3.030 2.449) 3.897 3.010 ( 1.036 -5.754 0.969) 5.926 3.010 ( 1.036 5.754 0.969) 5.926 3.150 ( -0.291 -5.534 -0.829) 5.603 3.150 ( -0.291 5.534 -0.829) 5.604 3.223 ( 1.596 -2.596 -0.805) 3.152 3.223 ( 1.596 2.596 -0.805) 3.152 3.386 ( 1.444 -3.137 0.513) 3.492 3.386 ( 1.444 3.137 0.513) 3.492 3.476 ( -0.697 -4.122 1.260) 4.366 3.476 ( -0.697 4.122 1.260) 4.366 3.548 ( -1.363 -3.486 3.341) 5.017 3.548 ( -1.363 3.486 3.341) 5.017 3.679 ( -1.842 -2.990 -0.519) 3.550 3.679 ( -1.842 2.990 -0.519) 3.550 3.924 ( -0.382 -0.986 0.352) 1.115 3.924 ( -0.382 0.986 0.352) 1.115 4.115 ( -0.225 -15.659 -1.586) 15.741 4.115 ( -0.225 15.659 -1.586) 15.741 10.312 ( 1.328 -0.644 -0.066) 1.477 10.312 ( 1.328 0.644 -0.066) 1.477 10.354 ( 1.072 -0.481 -0.632) 1.334 10.354 ( 1.072 0.481 -0.632) 1.334 10.491 ( 0.529 -1.207 1.967) 2.368 10.491 ( 0.529 1.207 1.967) 2.368 10.685 ( -1.607 -2.020 -1.536) 3.004 10.685 ( -1.607 2.020 -1.536) 3.004 14.737 ( -0.809 -0.938 0.211) 1.257 14.737 ( -0.809 0.938 0.211) 1.257 14.769 ( -0.529 -1.133 -0.605) 1.389 14.769 ( -0.529 1.133 -0.605) 1.389 14.968 ( 0.783 -0.609 0.173) 1.007 14.968 ( 0.783 0.609 0.173) 1.007 15.071 ( -0.671 -0.070 0.488) 0.833 15.071 ( -0.671 0.070 0.488) 0.833 15.243 ( -1.199 -1.590 -1.809) 2.690 15.243 ( -1.199 1.590 -1.809) 2.690 15.326 ( -2.686 -1.321 1.888) 3.539 15.326 ( -2.686 1.321 1.888) 3.539 19.579 ( 7.799 -2.103 -0.080) 8.078 19.579 ( 7.799 2.103 -0.080) 8.078 19.807 ( 3.261 -3.665 -0.015) 4.906 19.807 ( 3.261 3.665 -0.015) 4.906 28.780 ( 0.342 -1.514 0.348) 1.590 28.780 ( 0.342 1.514 0.348) 1.590 28.806 ( 0.016 -1.321 -0.262) 1.347 28.806 ( 0.016 1.321 -0.262) 1.347 33.381 ( 0.814 -3.342 -2.084) 4.022 33.381 ( 0.814 3.342 -2.084) 4.022 33.469 ( -0.319 -2.850 1.823) 3.399 33.469 ( -0.319 2.850 1.823) 3.399 33.926 ( 4.915 -0.435 0.469) 4.957 33.926 ( 4.915 0.435 0.469) 4.957 34.896 ( -9.356 -4.137 -0.280) 10.234 34.896 ( -9.356 4.137 -0.280) 10.234 ======================= Grid point 95 (39/60) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( 17.942 -3.421 -0.388) 18.270 1.305 ( 17.942 3.421 -0.388) 18.270 1.549 ( 5.634 -3.785 4.191) 7.977 1.549 ( 5.634 3.785 4.191) 7.977 1.765 ( -1.162 -2.799 -2.019) 3.641 1.765 ( -1.162 2.799 -2.019) 3.641 1.817 ( -0.831 -7.517 -2.085) 7.845 1.817 ( -0.831 7.517 -2.085) 7.845 1.850 ( 1.639 -3.552 -1.969) 4.379 1.850 ( 1.639 3.552 -1.969) 4.379 1.950 ( 1.569 -0.851 -4.609) 4.943 1.950 ( 1.569 0.851 -4.609) 4.943 2.009 ( -3.537 -1.953 2.073) 4.541 2.009 ( -3.537 1.953 2.073) 4.541 2.071 ( -1.455 -2.009 -4.107) 4.798 2.071 ( -1.455 2.009 -4.107) 4.798 2.182 ( -0.034 -1.631 -2.179) 2.722 2.182 ( -0.034 1.631 -2.179) 2.722 2.257 ( -6.629 -4.166 -0.898) 7.881 2.257 ( -6.629 4.166 -0.898) 7.881 2.478 ( 3.855 -0.892 3.026) 4.981 2.478 ( 3.855 0.892 3.026) 4.981 2.527 ( 2.040 -0.773 3.176) 3.853 2.527 ( 2.040 0.773 3.176) 3.853 2.761 ( 1.026 -4.807 -1.602) 5.170 2.761 ( 1.026 4.807 -1.602) 5.170 2.811 ( 1.532 -3.056 -2.236) 4.085 2.811 ( 1.532 3.056 -2.236) 4.085 2.920 ( -0.742 -3.378 -1.524) 3.779 2.920 ( -0.742 3.378 -1.524) 3.779 3.029 ( -1.210 -3.313 2.827) 4.520 3.029 ( -1.210 3.313 2.827) 4.520 3.153 ( 1.868 -3.177 2.445) 4.423 3.153 ( 1.868 3.177 2.445) 4.423 3.253 ( 0.162 -3.770 0.162) 3.777 3.253 ( 0.162 3.770 0.162) 3.777 3.403 ( 0.534 -1.171 1.238) 1.786 3.403 ( 0.534 1.171 1.238) 1.786 3.463 ( -0.935 -3.994 0.716) 4.164 3.463 ( -0.935 3.994 0.716) 4.164 3.537 ( 1.218 -4.100 2.126) 4.777 3.537 ( 1.218 4.100 2.126) 4.777 3.642 ( -1.909 -2.745 -0.789) 3.435 3.642 ( -1.909 2.745 -0.789) 3.435 3.926 ( 1.074 -1.838 -0.360) 2.159 3.926 ( 1.074 1.838 -0.360) 2.159 4.076 ( -3.637 -10.809 -1.013) 11.450 4.076 ( -3.637 10.809 -1.013) 11.450 10.343 ( 1.444 -0.873 -0.141) 1.694 10.343 ( 1.444 0.873 -0.141) 1.694 10.375 ( 0.495 -0.661 0.665) 1.061 10.375 ( 0.495 0.661 0.665) 1.061 10.516 ( 2.045 -1.211 0.293) 2.395 10.516 ( 2.045 1.211 0.293) 2.395 10.638 ( -2.771 -1.096 -1.055) 3.161 10.638 ( -2.771 1.096 -1.055) 3.161 14.723 ( -0.270 -1.454 0.264) 1.502 14.723 ( -0.270 1.454 0.264) 1.502 14.752 ( -1.054 -1.543 -0.375) 1.906 14.752 ( -1.054 1.543 -0.375) 1.906 14.990 ( 1.332 -0.609 0.275) 1.490 14.990 ( 1.332 0.609 0.275) 1.490 15.051 ( -1.219 -0.112 0.389) 1.284 15.051 ( -1.219 0.112 0.389) 1.284 15.221 ( -0.570 -1.770 -1.129) 2.175 15.221 ( -0.570 1.770 -1.129) 2.175 15.266 ( -2.605 -1.777 0.911) 3.282 15.266 ( -2.605 1.777 0.911) 3.282 19.759 ( 7.978 -1.004 -0.263) 8.045 19.759 ( 7.978 1.004 -0.263) 8.045 19.875 ( 2.353 -3.036 -0.042) 3.841 19.875 ( 2.353 3.036 -0.042) 3.841 28.789 ( 0.513 -1.304 0.176) 1.413 28.789 ( 0.513 1.304 0.176) 1.413 28.805 ( -0.139 -1.151 -0.196) 1.176 28.805 ( -0.139 1.151 -0.196) 1.176 33.404 ( 1.284 -3.365 -1.317) 3.835 33.404 ( 1.284 3.365 -1.317) 3.835 33.457 ( -0.922 -3.035 0.955) 3.313 33.457 ( -0.922 3.035 0.955) 3.313 34.083 ( 9.996 -0.855 0.501) 10.045 34.083 ( 9.996 0.855 0.501) 10.045 34.639 ( -14.160 -2.345 0.083) 14.353 34.639 ( -14.160 2.345 0.083) 14.353 ======================= Grid point 97 (40/60) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -5.804 -1.269 1.490) 6.125 1.596 ( -5.666 1.102 1.490) 5.961 1.596 ( 5.666 -1.102 1.490) 5.961 1.596 ( 5.804 1.269 1.490) 6.125 1.753 ( -1.829 -2.102 -1.176) 3.024 1.753 ( -0.654 -1.921 -1.176) 2.346 1.753 ( 0.654 1.921 -1.176) 2.346 1.753 ( 1.829 2.102 -1.176) 3.024 1.895 ( -2.912 -6.330 -1.695) 7.171 1.895 ( 2.317 -6.268 -1.695) 6.894 1.895 ( -2.317 6.268 -1.695) 6.894 1.895 ( 2.912 6.330 -1.695) 7.171 2.016 ( -2.041 -3.929 -1.232) 4.596 2.016 ( -0.906 -3.821 -1.232) 4.116 2.016 ( 0.906 3.821 -1.232) 4.116 2.016 ( 2.041 3.929 -1.232) 4.596 2.187 ( -0.435 -1.320 -3.550) 3.813 2.187 ( -0.107 -1.303 -3.550) 3.783 2.187 ( 0.107 1.303 -3.550) 3.783 2.187 ( 0.435 1.320 -3.550) 3.813 2.539 ( -0.912 -4.502 3.547) 5.804 2.539 ( 0.505 -4.486 3.547) 5.741 2.539 ( -0.505 4.486 3.547) 5.741 2.539 ( 0.912 4.502 3.547) 5.804 2.800 ( -2.021 -2.678 -1.894) 3.852 2.800 ( 1.841 -2.645 -1.894) 3.738 2.800 ( -1.841 2.645 -1.894) 3.738 2.800 ( 2.021 2.678 -1.894) 3.852 2.963 ( -2.746 -5.125 0.179) 5.817 2.963 ( 0.340 -4.941 0.179) 4.955 2.963 ( -0.340 4.941 0.179) 4.955 2.963 ( 2.746 5.125 0.179) 5.817 3.215 ( -2.611 -2.874 2.691) 4.724 3.215 ( 0.445 -2.571 2.691) 3.748 3.215 ( -0.445 2.571 2.691) 3.748 3.215 ( 2.611 2.874 2.691) 4.724 3.431 ( -1.799 -4.112 -0.387) 4.505 3.431 ( 1.715 -4.103 -0.387) 4.464 3.431 ( -1.715 4.103 -0.387) 4.464 3.431 ( 1.799 4.112 -0.387) 4.505 3.590 ( -2.982 -4.532 0.932) 5.505 3.590 ( 2.979 -4.532 0.932) 5.503 3.590 ( -2.979 4.532 0.932) 5.503 3.590 ( 2.982 4.532 0.932) 5.505 3.983 ( -4.150 -5.368 -0.685) 6.820 3.983 ( 3.724 -5.289 -0.685) 6.505 3.983 ( -3.724 5.289 -0.685) 6.505 3.983 ( 4.150 5.368 -0.685) 6.820 10.369 ( -0.712 -1.304 0.458) 1.555 10.369 ( 0.273 -1.261 0.458) 1.370 10.369 ( -0.273 1.261 0.458) 1.370 10.369 ( 0.712 1.304 0.458) 1.555 10.574 ( -3.080 -0.521 -0.566) 3.174 10.574 ( -2.975 0.337 -0.566) 3.047 10.574 ( 2.975 -0.337 -0.566) 3.047 10.574 ( 3.080 0.521 -0.566) 3.174 14.730 ( -0.832 -1.769 0.013) 1.955 14.730 ( 0.795 -1.764 0.013) 1.935 14.730 ( -0.795 1.764 0.013) 1.935 14.730 ( 0.832 1.769 0.013) 1.955 15.021 ( -1.488 -0.463 0.333) 1.593 15.021 ( -1.198 0.140 0.333) 1.251 15.021 ( 1.198 -0.140 0.333) 1.251 15.021 ( 1.488 0.463 0.333) 1.593 15.226 ( -1.031 -1.952 -0.194) 2.217 15.226 ( 0.969 -1.944 -0.194) 2.181 15.226 ( -0.969 1.944 -0.194) 2.181 15.226 ( 1.031 1.952 -0.194) 2.217 19.876 ( -2.677 -2.441 -0.190) 3.628 19.876 ( 2.431 -2.376 -0.190) 3.405 19.876 ( -2.431 2.376 -0.190) 3.405 19.876 ( 2.677 2.441 -0.190) 3.628 28.799 ( -0.404 -1.116 -0.036) 1.187 28.799 ( 0.404 -1.116 -0.036) 1.187 28.799 ( -0.404 1.116 -0.036) 1.187 28.799 ( 0.404 1.116 -0.036) 1.187 33.432 ( -1.323 -3.246 -0.200) 3.511 33.432 ( 1.320 -3.246 -0.200) 3.510 33.432 ( -1.320 3.246 -0.200) 3.510 33.432 ( 1.323 3.246 -0.200) 3.511 34.337 ( -13.754 -1.347 0.374) 13.825 34.337 ( -13.738 1.305 0.374) 13.805 34.337 ( 13.738 -1.305 0.374) 13.805 34.337 ( 13.754 1.347 0.374) 13.825 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.526 ( 0.000 0.000 9.467) 9.467 0.660 ( 0.000 0.000 -4.776) 4.776 0.725 ( 0.000 0.000 17.636) 17.636 1.029 ( 0.000 0.000 -13.812) 13.812 1.273 ( 0.000 0.000 4.849) 4.849 1.380 ( 0.000 0.000 -6.153) 6.153 1.413 ( 0.000 0.000 31.874) 31.874 1.726 ( 0.000 0.000 5.185) 5.185 1.767 ( 0.000 0.000 -4.039) 4.039 1.828 ( 0.000 0.000 0.515) 0.515 1.840 ( 0.000 0.000 0.530) 0.530 1.909 ( 0.000 0.000 6.835) 6.835 1.952 ( 0.000 0.000 -17.630) 17.630 1.999 ( 0.000 0.000 -0.534) 0.534 2.028 ( 0.000 0.000 6.642) 6.642 2.044 ( 0.000 0.000 4.236) 4.236 2.088 ( 0.000 0.000 -2.245) 2.245 2.150 ( 0.000 0.000 3.419) 3.419 2.163 ( 0.000 0.000 -4.944) 4.944 2.191 ( 0.000 0.000 9.194) 9.194 2.219 ( 0.000 0.000 -5.065) 5.065 2.370 ( 0.000 0.000 -8.281) 8.281 2.375 ( 0.000 0.000 1.366) 1.366 2.417 ( 0.000 0.000 -3.775) 3.775 2.454 ( 0.000 0.000 -1.050) 1.050 2.475 ( 0.000 0.000 3.360) 3.360 2.506 ( 0.000 0.000 -7.341) 7.341 2.574 ( 0.000 0.000 -6.531) 6.531 2.898 ( 0.000 0.000 2.833) 2.833 2.949 ( 0.000 0.000 -2.508) 2.508 2.979 ( 0.000 0.000 0.680) 0.680 3.008 ( 0.000 0.000 -2.471) 2.471 3.122 ( 0.000 0.000 1.587) 1.587 3.148 ( 0.000 0.000 -0.418) 0.418 3.165 ( 0.000 0.000 3.121) 3.121 3.194 ( 0.000 0.000 0.228) 0.228 3.209 ( 0.000 0.000 1.646) 1.646 3.255 ( 0.000 0.000 -3.199) 3.199 3.451 ( 0.000 0.000 2.059) 2.059 3.542 ( 0.000 0.000 1.088) 1.088 3.544 ( 0.000 0.000 -7.279) 7.279 3.558 ( 0.000 0.000 -0.502) 0.502 3.641 ( 0.000 0.000 4.220) 4.220 3.693 ( 0.000 0.000 -1.473) 1.473 3.900 ( 0.000 0.000 2.558) 2.558 3.964 ( 0.000 0.000 -3.772) 3.772 4.624 ( 0.000 0.000 15.183) 15.183 4.877 ( 0.000 0.000 -11.198) 11.198 10.319 ( 0.000 0.000 0.218) 0.218 10.323 ( 0.000 0.000 -0.226) 0.226 10.338 ( 0.000 0.000 0.956) 0.956 10.352 ( 0.000 0.000 -0.335) 0.335 10.463 ( 0.000 0.000 0.605) 0.605 10.475 ( 0.000 0.000 -0.577) 0.577 10.518 ( 0.000 0.000 1.822) 1.822 10.561 ( 0.000 0.000 -2.421) 2.421 14.755 ( 0.000 0.000 1.126) 1.126 14.780 ( 0.000 0.000 -1.407) 1.407 14.794 ( 0.000 0.000 0.426) 0.426 14.807 ( 0.000 0.000 -0.836) 0.836 14.982 ( 0.000 0.000 0.282) 0.282 14.987 ( 0.000 0.000 -0.247) 0.247 15.086 ( 0.000 0.000 0.412) 0.412 15.094 ( 0.000 0.000 -0.392) 0.392 15.101 ( 0.000 0.000 3.072) 3.072 15.162 ( 0.000 0.000 -3.260) 3.260 15.324 ( 0.000 0.000 0.403) 0.403 15.326 ( 0.000 0.000 0.296) 0.296 19.373 ( 0.000 0.000 4.032) 4.032 19.463 ( 0.000 0.000 -5.263) 5.263 19.948 ( 0.000 0.000 5.507) 5.507 20.043 ( 0.000 0.000 -4.397) 4.397 28.731 ( 0.000 0.000 0.525) 0.525 28.743 ( 0.000 0.000 -0.730) 0.730 28.885 ( 0.000 0.000 0.925) 0.925 28.903 ( 0.000 0.000 -0.941) 0.941 33.479 ( 0.000 0.000 5.667) 5.667 33.587 ( 0.000 0.000 -5.369) 5.369 33.646 ( 0.000 0.000 0.411) 0.411 33.654 ( 0.000 0.000 -0.451) 0.451 33.676 ( 0.000 0.000 0.086) 0.086 33.678 ( 0.000 0.000 -0.064) 0.064 34.727 ( 0.000 0.000 2.161) 2.161 34.769 ( 0.000 0.000 -2.070) 2.070 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( 8.490 0.000 8.897) 12.298 0.737 ( 6.376 0.000 -2.320) 6.785 0.879 ( 11.912 0.000 15.057) 19.199 1.147 ( 9.839 0.000 -12.312) 15.761 1.218 ( -4.171 0.000 1.918) 4.591 1.297 ( -6.782 0.000 -5.929) 9.008 1.504 ( 7.710 0.000 23.262) 24.506 1.730 ( 0.039 0.000 0.219) 0.222 1.772 ( -0.061 0.000 2.100) 2.101 1.838 ( 0.662 0.000 2.100) 2.202 1.873 ( 1.074 0.000 -1.355) 1.729 1.915 ( 0.740 0.000 7.557) 7.593 1.981 ( -1.459 0.000 0.885) 1.706 1.981 ( 3.433 0.000 -7.799) 8.521 2.022 ( 2.095 0.000 4.396) 4.870 2.075 ( 2.777 0.000 -4.418) 5.219 2.127 ( -1.682 0.000 5.597) 5.845 2.168 ( 0.237 0.000 1.328) 1.349 2.191 ( 7.108 0.000 0.566) 7.130 2.247 ( 6.733 0.000 -2.885) 7.325 2.298 ( 4.770 0.000 -1.566) 5.020 2.356 ( -1.982 0.000 -0.829) 2.148 2.377 ( -0.526 0.000 -2.132) 2.196 2.390 ( 1.453 0.000 -7.138) 7.284 2.485 ( 0.340 0.000 -0.836) 0.902 2.486 ( 1.248 0.000 2.616) 2.899 2.527 ( 1.627 0.000 -5.889) 6.110 2.571 ( 0.079 0.000 -5.905) 5.906 2.866 ( -2.706 0.000 2.644) 3.783 2.916 ( -5.531 0.000 3.604) 6.601 2.918 ( -2.972 0.000 -2.742) 4.044 2.981 ( -2.189 0.000 -2.744) 3.511 3.057 ( -4.261 0.000 1.083) 4.397 3.088 ( -3.530 0.000 -1.256) 3.747 3.188 ( -0.359 0.000 1.168) 1.222 3.200 ( 1.795 0.000 -0.393) 1.837 3.241 ( 2.868 0.000 1.676) 3.321 3.284 ( 2.420 0.000 -2.739) 3.656 3.357 ( -5.553 0.000 6.396) 8.470 3.513 ( -2.292 0.000 -9.293) 9.572 3.524 ( -1.627 0.000 0.983) 1.901 3.539 ( -1.737 0.000 -0.480) 1.802 3.685 ( -1.220 0.000 5.669) 5.799 3.756 ( 3.346 0.000 -1.704) 3.754 3.890 ( 1.337 0.000 7.113) 7.238 4.041 ( 7.793 0.000 -7.499) 10.815 4.589 ( -3.523 0.000 14.252) 14.681 4.837 ( -4.271 0.000 -11.769) 12.520 10.329 ( 0.944 0.000 0.160) 0.957 10.332 ( 0.839 0.000 -0.168) 0.855 10.337 ( 0.239 0.000 1.705) 1.722 10.369 ( 1.210 0.000 -1.440) 1.881 10.454 ( -0.871 0.000 0.552) 1.031 10.465 ( -0.966 0.000 -0.526) 1.100 10.519 ( -0.163 0.000 2.421) 2.427 10.568 ( 0.396 0.000 -2.496) 2.527 14.741 ( -1.121 0.000 0.452) 1.208 14.762 ( -1.388 0.000 -1.540) 2.073 14.790 ( -0.351 0.000 0.474) 0.590 14.803 ( -0.404 0.000 -0.851) 0.942 14.990 ( 0.702 0.000 0.236) 0.741 14.994 ( 0.620 0.000 -0.203) 0.652 15.080 ( -0.609 0.000 0.368) 0.711 15.087 ( -0.690 0.000 -0.347) 0.773 15.088 ( -1.066 0.000 2.837) 3.031 15.140 ( -2.077 0.000 -2.401) 3.175 15.249 ( -4.222 0.000 2.570) 4.943 15.283 ( -3.296 0.000 -0.976) 3.438 19.632 ( 14.844 0.000 1.097) 14.884 19.730 ( 23.442 0.000 -10.603) 25.728 19.984 ( 3.465 0.000 5.675) 6.649 20.087 ( 4.078 0.000 -4.953) 6.416 28.757 ( 1.337 0.000 -0.388) 1.392 28.762 ( 2.201 0.000 -1.112) 2.466 28.885 ( 0.044 0.000 0.747) 0.748 28.902 ( -0.124 0.000 -0.938) 0.946 33.501 ( 2.225 0.000 6.484) 6.856 33.623 ( 3.427 0.000 -5.889) 6.813 33.648 ( 0.206 0.000 0.376) 0.429 33.656 ( 0.140 0.000 -0.412) 0.435 33.675 ( -0.134 0.000 0.054) 0.144 33.676 ( -0.188 0.000 -0.035) 0.191 34.470 ( -21.704 0.000 10.563) 24.138 34.583 ( -13.246 0.000 -2.865) 13.553 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 7.867 0.000 8.816) 11.816 0.874 ( 5.516 0.000 3.886) 6.747 1.137 ( 11.880 0.000 12.800) 17.464 1.143 ( -2.599 0.000 -4.933) 5.575 1.150 ( -5.712 0.000 -5.473) 7.911 1.374 ( 10.517 0.000 -10.841) 15.105 1.553 ( -5.242 0.000 5.973) 7.946 1.696 ( -3.967 0.000 -8.046) 8.971 1.823 ( -1.872 0.000 2.620) 3.220 1.852 ( -2.422 0.000 -0.201) 2.431 1.893 ( 11.938 0.000 12.672) 17.410 1.933 ( 0.869 0.000 4.663) 4.743 1.962 ( -0.395 0.000 1.134) 1.200 2.048 ( 3.036 0.000 -2.389) 3.863 2.122 ( 1.033 0.000 6.558) 6.638 2.148 ( 7.848 0.000 2.861) 8.353 2.170 ( -0.479 0.000 1.924) 1.983 2.174 ( 6.022 0.000 1.620) 6.236 2.289 ( 0.635 0.000 0.433) 0.769 2.359 ( 4.101 0.000 -0.464) 4.127 2.369 ( -0.091 0.000 -3.838) 3.839 2.386 ( 2.919 0.000 -3.909) 4.878 2.389 ( 3.469 0.000 -1.652) 3.842 2.417 ( 0.894 0.000 -5.761) 5.830 2.484 ( 0.946 0.000 0.787) 1.230 2.541 ( 4.044 0.000 1.452) 4.297 2.560 ( 1.427 0.000 -7.048) 7.191 2.595 ( 2.340 0.000 -4.088) 4.710 2.795 ( -3.716 0.000 1.632) 4.059 2.815 ( -3.843 0.000 4.492) 5.912 2.834 ( -4.627 0.000 -2.451) 5.236 2.874 ( -9.203 0.000 -1.398) 9.308 2.970 ( -2.449 0.000 1.349) 2.796 3.001 ( -4.515 0.000 -1.409) 4.730 3.182 ( -0.345 0.000 1.951) 1.981 3.208 ( -1.531 0.000 -1.474) 2.126 3.317 ( 4.014 0.000 1.276) 4.212 3.342 ( 5.093 0.000 6.663) 8.386 3.346 ( 3.305 0.000 -1.723) 3.727 3.475 ( -2.963 0.000 0.796) 3.068 3.488 ( 1.065 0.000 -8.362) 8.430 3.488 ( -2.976 0.000 -0.497) 3.017 3.600 ( -5.328 0.000 7.126) 8.898 3.715 ( -5.354 0.000 -3.871) 6.607 4.036 ( 9.654 0.000 9.943) 13.858 4.225 ( 8.122 0.000 -8.397) 11.682 4.480 ( -5.911 0.000 10.827) 12.336 4.695 ( -8.757 0.000 -11.284) 14.283 10.352 ( 1.105 0.000 1.942) 2.234 10.357 ( 1.572 0.000 0.012) 1.572 10.357 ( 1.455 0.000 -0.017) 1.455 10.388 ( 0.306 0.000 -1.617) 1.646 10.429 ( -1.452 0.000 0.403) 1.507 10.436 ( -1.629 0.000 -0.383) 1.673 10.518 ( 0.354 0.000 2.516) 2.541 10.564 ( -0.815 0.000 -2.194) 2.341 14.720 ( -0.604 0.000 -0.059) 0.606 14.736 ( -0.978 0.000 -1.548) 1.831 14.782 ( -0.283 0.000 -0.053) 0.288 14.792 ( -0.584 0.000 -0.986) 1.146 15.010 ( 1.202 0.000 0.112) 1.207 15.012 ( 1.062 0.000 -0.082) 1.065 15.062 ( -1.050 0.000 0.247) 1.078 15.066 ( -1.191 0.000 -0.225) 1.212 15.067 ( -0.693 0.000 2.186) 2.293 15.091 ( -1.994 0.000 0.198) 2.004 15.196 ( -1.095 0.000 0.789) 1.350 15.222 ( -2.214 0.000 -1.383) 2.610 19.915 ( 10.026 0.000 5.705) 11.535 20.019 ( 3.415 0.000 0.734) 3.493 20.164 ( 11.074 0.000 -8.090) 13.715 20.205 ( 6.611 0.000 -7.134) 9.726 28.788 ( 1.444 0.000 -0.094) 1.447 28.803 ( 1.273 0.000 -1.824) 2.224 28.887 ( 0.187 0.000 0.087) 0.206 28.898 ( -0.208 0.000 -0.939) 0.961 33.577 ( 5.179 0.000 8.834) 10.240 33.654 ( 0.348 0.000 0.283) 0.448 33.660 ( 0.234 0.000 -0.307) 0.386 33.670 ( -0.326 0.000 0.048) 0.330 33.671 ( -0.232 0.000 -0.041) 0.235 33.729 ( 6.308 0.000 -6.348) 8.949 34.048 ( -15.881 0.000 15.319) 22.065 34.265 ( -15.454 0.000 -7.732) 17.280 ======================= Grid point 129 (44/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.920 ( -1.917 0.000 8.784) 8.991 0.920 ( 1.917 0.000 8.784) 8.991 1.104 ( -1.385 0.000 -7.394) 7.522 1.104 ( 1.385 0.000 -7.394) 7.522 1.371 ( -10.223 0.000 9.708) 14.098 1.371 ( 10.223 0.000 9.708) 14.098 1.572 ( -7.589 0.000 -11.093) 13.441 1.572 ( 7.589 0.000 -11.093) 13.441 1.806 ( -1.015 0.000 0.917) 1.368 1.806 ( 1.015 0.000 0.917) 1.368 1.951 ( -0.707 0.000 2.571) 2.667 1.951 ( 0.707 0.000 2.571) 2.667 2.064 ( -3.149 0.000 1.046) 3.318 2.064 ( 3.149 0.000 1.046) 3.318 2.149 ( -1.283 0.000 4.444) 4.625 2.149 ( 1.283 0.000 4.444) 4.625 2.260 ( -3.023 0.000 1.994) 3.622 2.260 ( 3.023 0.000 1.994) 3.622 2.346 ( -5.693 0.000 2.819) 6.353 2.346 ( 5.693 0.000 2.819) 6.353 2.397 ( -2.724 0.000 2.016) 3.389 2.397 ( 2.724 0.000 2.016) 3.389 2.420 ( -0.637 0.000 -4.810) 4.852 2.420 ( 0.637 0.000 -4.810) 4.852 2.553 ( -3.821 0.000 -3.640) 5.277 2.553 ( 3.821 0.000 -3.640) 5.277 2.623 ( -1.974 0.000 -0.649) 2.078 2.623 ( 1.974 0.000 -0.649) 2.078 2.736 ( -1.260 0.000 -0.219) 1.279 2.736 ( 1.260 0.000 -0.219) 1.279 2.752 ( -1.609 0.000 -1.123) 1.962 2.752 ( 1.609 0.000 -1.123) 1.962 2.950 ( -0.537 0.000 -0.117) 0.550 2.950 ( 0.537 0.000 -0.117) 0.550 3.181 ( -0.674 0.000 -0.619) 0.915 3.181 ( 0.674 0.000 -0.619) 0.915 3.399 ( -2.941 0.000 0.598) 3.001 3.399 ( 2.941 0.000 0.598) 3.001 3.422 ( -2.538 0.000 -0.601) 2.608 3.422 ( 2.538 0.000 -0.601) 2.608 3.474 ( -6.226 0.000 6.706) 9.151 3.474 ( 6.226 0.000 6.706) 9.151 3.581 ( -6.460 0.000 -4.574) 7.916 3.581 ( 6.460 0.000 -4.574) 7.916 4.232 ( -7.899 0.000 7.376) 10.807 4.232 ( 7.899 0.000 7.376) 10.807 4.500 ( -8.545 0.000 -7.858) 11.609 4.500 ( 8.545 0.000 -7.858) 11.609 10.378 ( -1.111 0.000 0.760) 1.346 10.378 ( 1.111 0.000 0.760) 1.346 10.385 ( -0.266 0.000 0.032) 0.268 10.385 ( 0.266 0.000 0.032) 0.268 10.405 ( -0.462 0.000 -0.026) 0.463 10.405 ( 0.462 0.000 -0.026) 0.463 10.538 ( -1.402 0.000 -0.365) 1.449 10.538 ( 1.402 0.000 -0.365) 1.449 14.720 ( -0.495 0.000 -0.582) 0.764 14.720 ( 0.495 0.000 -0.582) 0.764 14.782 ( -0.266 0.000 -0.909) 0.947 14.782 ( 0.266 0.000 -0.909) 0.947 15.035 ( -0.235 0.000 0.035) 0.238 15.035 ( 0.235 0.000 0.035) 0.238 15.041 ( -0.397 0.000 -0.010) 0.397 15.041 ( 0.397 0.000 -0.010) 0.397 15.065 ( -0.542 0.000 1.401) 1.502 15.065 ( 0.542 0.000 1.401) 1.502 15.192 ( -0.629 0.000 -0.630) 0.890 15.192 ( 0.629 0.000 -0.630) 0.890 20.035 ( -1.937 0.000 4.313) 4.728 20.035 ( 1.937 0.000 4.313) 4.728 20.284 ( -0.921 0.000 -7.577) 7.633 20.284 ( 0.921 0.000 -7.577) 7.633 28.810 ( -0.492 0.000 -0.675) 0.835 28.810 ( 0.492 0.000 -0.675) 0.835 28.893 ( -0.294 0.000 -0.731) 0.788 28.893 ( 0.294 0.000 -0.731) 0.788 33.662 ( -0.347 0.000 0.138) 0.373 33.662 ( 0.347 0.000 0.138) 0.373 33.666 ( -0.226 0.000 -0.145) 0.268 33.666 ( 0.226 0.000 -0.145) 0.268 33.722 ( -8.111 0.000 10.821) 13.523 33.722 ( 8.111 0.000 10.821) 13.523 33.982 ( -10.255 0.000 -6.555) 12.171 33.982 ( 10.255 0.000 -6.555) 12.171 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( 0.000 0.881 14.533) 14.559 0.783 ( 0.000 16.948 5.281) 17.751 0.853 ( 0.000 14.792 -0.915) 14.820 0.999 ( 0.000 -1.818 -11.203) 11.350 1.224 ( 0.000 -0.779 12.322) 12.347 1.422 ( 0.000 2.933 -9.544) 9.985 1.578 ( 0.000 11.508 19.230) 22.411 1.725 ( 0.000 0.937 6.178) 6.248 1.766 ( 0.000 -0.520 -2.886) 2.932 1.875 ( 0.000 2.462 2.178) 3.287 1.906 ( 0.000 4.800 -1.578) 5.052 1.931 ( 0.000 -1.730 6.798) 7.014 1.977 ( 0.000 2.638 -8.856) 9.241 1.979 ( 0.000 2.147 3.411) 4.030 2.009 ( 0.000 0.757 -3.626) 3.705 2.065 ( 0.000 1.717 3.420) 3.826 2.070 ( 0.000 -0.687 -6.935) 6.969 2.123 ( 0.000 1.659 -2.526) 3.021 2.211 ( 0.000 2.969 2.061) 3.614 2.257 ( 0.000 -0.211 -4.964) 4.968 2.302 ( 0.000 8.096 8.410) 11.673 2.359 ( 0.000 0.230 0.314) 0.389 2.380 ( 0.000 0.866 1.901) 2.089 2.420 ( 0.000 -1.899 3.561) 4.036 2.484 ( 0.000 4.894 -6.222) 7.916 2.528 ( 0.000 5.486 2.252) 5.930 2.564 ( 0.000 5.269 -11.656) 12.792 2.629 ( 0.000 5.143 -7.098) 8.765 2.809 ( 0.000 -6.267 2.291) 6.673 2.872 ( 0.000 -5.318 -3.904) 6.597 3.011 ( 0.000 0.966 0.817) 1.265 3.035 ( 0.000 1.693 -1.818) 2.484 3.082 ( 0.000 -2.045 1.582) 2.585 3.110 ( 0.000 -2.481 -0.892) 2.637 3.172 ( 0.000 0.993 2.355) 2.556 3.191 ( 0.000 0.258 0.029) 0.260 3.270 ( 0.000 3.310 1.931) 3.832 3.320 ( 0.000 4.502 -3.256) 5.556 3.440 ( 0.000 -0.650 4.524) 4.570 3.529 ( 0.000 -0.769 -4.302) 4.370 3.558 ( 0.000 2.465 3.131) 3.985 3.614 ( 0.000 3.171 -3.139) 4.462 3.705 ( 0.000 2.011 0.603) 2.100 3.712 ( 0.000 4.389 0.053) 4.389 3.871 ( 0.000 -2.768 2.534) 3.753 3.930 ( 0.000 -3.161 -3.308) 4.575 4.514 ( 0.000 -9.885 15.102) 18.049 4.772 ( 0.000 -9.050 -11.732) 14.817 10.297 ( 0.000 -1.000 0.605) 1.169 10.311 ( 0.000 -0.735 -0.812) 1.095 10.370 ( 0.000 1.784 0.609) 1.885 10.376 ( 0.000 1.315 0.032) 1.316 10.454 ( 0.000 -1.395 -0.053) 1.396 10.457 ( 0.000 0.060 -0.333) 0.338 10.534 ( 0.000 1.369 2.759) 3.080 10.590 ( 0.000 2.353 -2.898) 3.733 14.748 ( 0.000 -0.570 0.780) 0.967 14.764 ( 0.000 -1.230 -0.833) 1.485 14.786 ( 0.000 -0.386 0.307) 0.493 14.798 ( 0.000 -0.618 -0.838) 1.041 14.946 ( 0.000 -2.308 0.577) 2.379 14.957 ( 0.000 -1.893 -0.490) 1.955 15.093 ( 0.000 0.205 0.133) 0.244 15.093 ( 0.000 0.888 0.123) 0.896 15.155 ( 0.000 2.820 2.198) 3.576 15.200 ( 0.000 2.465 -2.527) 3.530 15.344 ( 0.000 1.566 0.296) 1.594 15.344 ( 0.000 1.600 0.328) 1.633 19.380 ( 0.000 0.724 3.794) 3.862 19.464 ( 0.000 0.224 -4.879) 4.884 19.921 ( 0.000 -2.518 5.317) 5.883 20.012 ( 0.000 -2.930 -4.179) 5.103 28.732 ( 0.000 0.130 0.566) 0.581 28.745 ( 0.000 0.189 -0.747) 0.771 28.876 ( 0.000 -0.871 0.846) 1.214 28.892 ( 0.000 -1.023 -0.844) 1.327 33.444 ( 0.000 -2.943 5.211) 5.984 33.546 ( 0.000 -3.426 -5.121) 6.162 33.627 ( 0.000 -3.471 3.362) 4.832 33.666 ( 0.000 -0.333 -1.039) 1.091 33.690 ( 0.000 2.631 0.143) 2.634 33.695 ( 0.000 3.298 -0.308) 3.312 34.753 ( 0.000 2.583 3.667) 4.485 34.843 ( 0.000 5.647 -6.129) 8.334 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.17 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 7.274 10.965 7.759) 15.276 0.901 ( 4.990 12.540 -0.669) 13.513 0.911 ( 10.158 6.440 11.056) 16.337 1.120 ( 9.617 -1.562 -9.689) 13.740 1.250 ( 1.506 2.801 5.232) 6.123 1.375 ( -3.546 6.171 -7.795) 10.556 1.587 ( 1.359 7.427 14.852) 16.661 1.737 ( 0.339 0.848 -1.609) 1.850 1.775 ( 0.524 0.941 6.142) 6.236 1.903 ( 1.096 2.366 2.332) 3.498 1.913 ( 0.471 -2.706 1.973) 3.382 1.936 ( 1.752 5.473 -0.092) 5.748 1.956 ( -0.736 2.276 2.835) 3.710 2.027 ( 2.607 2.877 -4.503) 5.946 2.038 ( 2.726 2.522 1.276) 3.927 2.075 ( 3.440 0.905 -2.061) 4.111 2.141 ( 2.254 0.768 -0.229) 2.392 2.167 ( 6.237 -0.475 -4.054) 7.454 2.216 ( 0.120 1.941 2.565) 3.219 2.244 ( -0.143 0.955 -1.603) 1.871 2.323 ( 0.677 2.638 3.080) 4.111 2.369 ( 0.139 1.501 1.433) 2.080 2.400 ( 2.065 1.256 -1.489) 2.839 2.416 ( 0.275 -1.069 1.549) 1.902 2.447 ( -1.090 2.596 -1.162) 3.046 2.554 ( 0.509 3.375 -7.168) 7.939 2.581 ( 1.791 6.891 -2.887) 7.683 2.646 ( 1.167 5.866 -6.362) 8.732 2.770 ( -2.823 -5.761 2.534) 6.898 2.821 ( -4.173 -5.881 -2.469) 7.623 2.988 ( -3.422 3.199 1.915) 5.061 3.016 ( -1.093 0.705 0.972) 1.624 3.038 ( -2.566 -0.464 -0.708) 2.702 3.081 ( -1.685 -1.011 -2.643) 3.293 3.182 ( -0.740 0.112 1.612) 1.777 3.201 ( 0.777 0.840 0.451) 1.230 3.277 ( -0.138 2.103 1.165) 2.408 3.315 ( 1.527 2.585 -2.073) 3.648 3.429 ( -1.106 5.229 4.858) 7.223 3.506 ( -3.141 -0.009 1.370) 3.427 3.538 ( -0.930 0.256 -2.177) 2.381 3.556 ( -4.294 3.530 -4.834) 7.367 3.700 ( -0.529 0.209 2.098) 2.174 3.737 ( 2.288 -1.517 -1.401) 3.082 3.905 ( 3.122 1.168 6.169) 7.012 4.021 ( 6.907 -2.199 -5.448) 9.067 4.484 ( -3.086 -9.596 14.158) 17.380 4.733 ( -4.005 -9.055 -11.916) 15.493 10.310 ( 1.115 -0.793 0.906) 1.641 10.328 ( 1.490 -0.458 -1.012) 1.859 10.370 ( 0.323 1.897 0.841) 2.100 10.386 ( 0.674 1.573 -0.714) 1.854 10.455 ( 0.055 -0.689 0.393) 0.795 10.464 ( 0.213 0.258 -0.511) 0.611 10.523 ( -0.952 0.869 2.972) 3.240 10.581 ( -0.800 1.478 -2.930) 3.378 14.729 ( -1.439 -0.983 0.641) 1.857 14.746 ( -1.524 -1.086 -1.140) 2.192 14.783 ( -0.199 -0.379 0.381) 0.573 14.795 ( -0.312 -0.507 -0.800) 0.997 14.952 ( 0.641 -2.185 0.612) 2.357 14.964 ( 0.681 -1.851 -0.547) 2.047 15.081 ( -1.090 0.276 0.208) 1.143 15.082 ( -1.006 0.390 0.086) 1.083 15.148 ( -0.594 2.985 2.051) 3.671 15.188 ( -1.095 3.004 -2.183) 3.871 15.271 ( -4.567 1.940 2.248) 5.447 15.302 ( -3.371 1.682 -0.950) 3.885 19.617 ( 13.829 -1.295 0.262) 13.892 19.674 ( 20.104 -4.287 -6.200) 21.471 19.957 ( 3.310 -2.547 5.356) 6.792 20.053 ( 3.727 -3.182 -4.569) 6.700 28.754 ( 1.769 -0.488 -0.399) 1.878 28.757 ( 1.045 -0.012 -0.513) 1.164 28.876 ( 0.030 -0.875 0.687) 1.113 28.891 ( -0.136 -1.029 -0.822) 1.324 33.463 ( 1.740 -3.184 5.679) 6.739 33.569 ( 1.893 -3.843 -4.873) 6.488 33.620 ( -0.618 -3.694 3.266) 4.970 33.660 ( -0.502 -0.753 -1.133) 1.450 33.705 ( 1.537 3.987 0.460) 4.297 33.717 ( 2.215 3.979 -0.825) 4.629 34.584 ( -16.900 7.756 3.597) 18.939 34.632 ( -14.120 5.571 -1.528) 15.256 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.33 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 6.767 13.277 6.462) 16.243 1.012 ( 4.798 11.539 3.541) 12.989 1.138 ( 9.644 2.558 8.332) 12.998 1.253 ( 0.285 6.923 -4.682) 8.362 1.262 ( -0.750 8.479 -1.093) 8.582 1.387 ( 8.167 2.563 -8.927) 12.368 1.558 ( -5.413 1.480 4.846) 7.414 1.687 ( -4.396 0.534 -7.695) 8.878 1.865 ( 2.380 0.230 4.927) 5.477 1.889 ( 0.629 1.017 5.409) 5.539 1.925 ( -0.022 5.231 0.117) 5.233 1.949 ( 1.024 -0.121 0.301) 1.074 1.999 ( 4.880 3.621 4.728) 7.699 2.061 ( 2.712 1.753 1.205) 3.447 2.150 ( 2.093 1.852 2.505) 3.753 2.162 ( 3.948 1.655 2.546) 4.981 2.208 ( 2.435 3.113 1.889) 4.380 2.213 ( 3.636 3.185 4.305) 6.473 2.286 ( 4.690 -1.242 -3.212) 5.818 2.296 ( 4.229 -3.950 -3.819) 6.933 2.329 ( -0.012 0.033 0.293) 0.295 2.359 ( -0.072 1.247 -0.660) 1.413 2.431 ( 0.304 -1.699 2.148) 2.755 2.439 ( 0.494 0.954 -1.679) 1.994 2.460 ( 2.418 1.324 -2.799) 3.929 2.552 ( -0.556 2.159 -8.144) 8.443 2.627 ( 1.118 2.649 0.087) 2.876 2.656 ( -0.770 -0.061 -2.288) 2.415 2.717 ( -3.283 -1.022 0.648) 3.499 2.740 ( -0.617 0.350 -1.788) 1.923 2.916 ( -2.619 3.989 2.760) 5.513 2.955 ( -4.856 2.264 -0.381) 5.371 2.986 ( -1.873 1.779 0.922) 2.743 3.030 ( -3.578 2.798 -1.728) 4.860 3.170 ( -0.669 -0.417 1.850) 2.011 3.200 ( -1.248 -0.008 -1.842) 2.225 3.266 ( 1.459 -0.742 4.166) 4.476 3.347 ( 0.719 0.192 -2.926) 3.019 3.431 ( -2.273 0.278 -0.315) 2.312 3.442 ( -4.326 -0.674 -0.414) 4.398 3.485 ( 4.374 6.004 2.602) 7.871 3.558 ( 2.310 4.274 -4.280) 6.475 3.672 ( -2.245 4.267 4.048) 6.295 3.745 ( -2.137 1.585 -2.777) 3.846 4.012 ( 6.775 -1.939 8.926) 11.372 4.169 ( 6.086 -5.339 -6.317) 10.268 4.391 ( -4.731 -8.271 10.160) 13.929 4.600 ( -8.231 -8.607 -11.019) 16.225 10.340 ( 1.690 -0.488 1.377) 2.234 10.364 ( 1.550 -0.279 -0.965) 1.847 10.385 ( 1.087 2.119 0.619) 2.460 10.399 ( 0.536 2.147 -0.810) 2.356 10.448 ( -0.855 1.107 0.251) 1.421 10.454 ( -1.150 1.164 -0.316) 1.667 10.507 ( -0.071 -0.486 2.587) 2.633 10.557 ( -1.462 -0.282 -2.442) 2.860 14.703 ( -0.771 -1.431 0.066) 1.627 14.715 ( -1.216 -1.383 -1.063) 2.127 14.778 ( -0.253 -0.363 0.030) 0.443 14.785 ( -0.554 -0.392 -0.687) 0.965 14.973 ( 1.329 -1.714 0.561) 2.240 14.984 ( 1.181 -1.620 -0.526) 2.073 15.051 ( -1.628 -0.092 0.376) 1.674 15.055 ( -1.498 -0.166 -0.059) 1.508 15.136 ( -0.377 3.358 1.763) 3.811 15.158 ( -1.521 4.132 0.220) 4.409 15.209 ( -1.250 1.045 0.557) 1.722 15.238 ( -2.387 1.428 -1.600) 3.209 19.885 ( 9.859 -2.741 4.517) 11.185 19.981 ( 4.903 -3.626 -1.220) 6.219 20.093 ( 10.181 -6.080 -3.807) 12.455 20.154 ( 5.161 -4.495 -5.628) 8.861 28.782 ( 1.185 -0.473 -0.257) 1.301 28.789 ( 1.226 -1.076 -1.105) 1.970 28.877 ( 0.126 -0.922 0.197) 0.951 28.887 ( -0.223 -1.045 -0.750) 1.305 33.512 ( 2.628 -4.183 6.280) 7.991 33.594 ( -0.706 -4.360 2.822) 5.242 33.614 ( 0.939 -3.932 -2.359) 4.681 33.648 ( -0.606 -1.622 -1.475) 2.275 33.762 ( 4.217 7.165 1.606) 8.467 33.807 ( 6.640 5.674 -3.059) 9.254 34.200 ( -16.321 11.815 7.782) 21.599 34.321 ( -15.113 5.268 -4.689) 16.678 ======================= Grid point 136 (48/60) ======================= q-point: (-0.50 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -0.497 12.312 6.910) 14.127 1.066 ( 0.497 12.312 6.910) 14.127 1.226 ( -1.006 10.146 -5.621) 11.642 1.226 ( 1.006 10.146 -5.621) 11.642 1.384 ( -8.921 1.749 8.481) 12.433 1.384 ( 8.921 1.749 8.481) 12.433 1.570 ( -6.774 0.778 -10.276) 12.333 1.570 ( 6.774 0.778 -10.276) 12.333 1.858 ( -0.840 3.197 0.841) 3.411 1.858 ( 0.840 3.197 0.841) 3.411 1.958 ( -0.425 -0.920 0.729) 1.248 1.958 ( 0.425 -0.920 0.729) 1.248 2.105 ( -1.743 4.349 2.026) 5.105 2.105 ( 1.743 4.349 2.026) 5.105 2.163 ( -2.342 1.308 4.734) 5.442 2.163 ( 2.342 1.308 4.734) 5.442 2.283 ( -3.507 0.173 1.678) 3.891 2.283 ( 3.507 0.173 1.678) 3.891 2.322 ( -2.122 -0.895 1.773) 2.906 2.322 ( 2.122 -0.895 1.773) 2.906 2.377 ( -0.878 -0.778 -0.956) 1.513 2.377 ( 0.878 -0.778 -0.956) 1.513 2.436 ( -1.893 0.283 0.283) 1.935 2.436 ( 1.893 0.283 0.283) 1.935 2.500 ( -2.770 -1.086 -2.640) 3.978 2.500 ( 2.770 -1.086 -2.640) 3.978 2.622 ( -1.588 -3.517 -3.366) 5.120 2.622 ( 1.588 -3.517 -3.366) 5.120 2.727 ( -1.850 6.117 -0.874) 6.450 2.727 ( 1.850 6.117 -0.874) 6.450 2.887 ( -0.379 5.413 0.087) 5.427 2.887 ( 0.379 5.413 0.087) 5.427 2.971 ( -1.352 3.027 1.073) 3.485 2.971 ( 1.352 3.027 1.073) 3.485 3.169 ( -0.990 -0.739 -0.442) 1.311 3.169 ( 0.990 -0.739 -0.442) 1.311 3.330 ( -3.047 -2.859 0.233) 4.185 3.330 ( 3.047 -2.859 0.233) 4.185 3.390 ( -0.691 -0.922 -1.244) 1.696 3.390 ( 0.691 -0.922 -1.244) 1.696 3.589 ( -3.669 6.500 2.023) 7.733 3.589 ( 3.669 6.500 2.023) 7.733 3.661 ( -4.705 5.941 -0.362) 7.587 3.661 ( 4.705 5.941 -0.362) 7.587 4.162 ( -6.450 -6.540 6.700) 11.370 4.162 ( 6.450 -6.540 6.700) 11.370 4.420 ( -7.667 -7.441 -7.098) 12.827 4.420 ( 7.667 -7.441 -7.098) 12.827 10.371 ( -0.919 -0.396 0.833) 1.302 10.371 ( 0.919 -0.396 0.833) 1.302 10.412 ( -0.465 2.158 -0.186) 2.215 10.412 ( 0.465 2.158 -0.186) 2.215 10.427 ( -0.396 2.094 -0.002) 2.131 10.427 ( 0.396 2.094 -0.002) 2.131 10.525 ( -1.459 -1.150 -0.408) 1.902 10.525 ( 1.459 -1.150 -0.408) 1.902 14.699 ( -0.312 -1.599 -0.547) 1.718 14.699 ( 0.312 -1.599 -0.547) 1.718 14.776 ( -0.176 -0.379 -0.427) 0.597 14.776 ( 0.176 -0.379 -0.427) 0.597 15.001 ( -0.601 -1.235 0.135) 1.380 15.001 ( 0.601 -1.235 0.135) 1.380 15.028 ( -0.420 -0.567 0.024) 0.706 15.028 ( 0.420 -0.567 0.024) 0.706 15.136 ( -0.462 3.822 1.453) 4.115 15.136 ( 0.462 3.822 1.453) 4.115 15.205 ( -0.711 1.108 -1.081) 1.703 15.205 ( 0.711 1.108 -1.081) 1.703 20.005 ( -1.961 -2.717 3.702) 4.994 20.005 ( 1.961 -2.717 3.702) 4.994 20.215 ( -0.820 -6.208 -6.189) 8.804 20.215 ( 0.820 -6.208 -6.189) 8.804 28.799 ( -0.267 -0.920 -0.577) 1.118 28.799 ( 0.267 -0.920 -0.577) 1.118 28.881 ( -0.259 -1.021 -0.459) 1.149 28.881 ( 0.259 -1.021 -0.459) 1.149 33.563 ( -2.033 -4.948 5.415) 7.612 33.563 ( 2.033 -4.948 5.415) 7.612 33.634 ( -0.768 -2.733 -2.172) 3.575 33.634 ( 0.768 -2.733 -2.172) 3.575 33.890 ( -6.576 10.704 3.265) 12.980 33.890 ( 6.576 10.704 3.265) 12.980 34.043 ( -8.962 5.618 -3.324) 11.088 34.043 ( 8.962 5.618 -3.324) 11.088 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 0.000 -0.279 7.936) 7.941 0.847 ( 0.000 -5.789 -1.764) 6.052 1.164 ( 0.000 15.083 0.831) 15.106 1.183 ( 0.000 14.892 -0.093) 14.893 1.281 ( 0.000 6.104 9.311) 11.133 1.483 ( 0.000 3.448 -10.133) 10.703 1.693 ( 0.000 1.573 2.584) 3.025 1.747 ( 0.000 -0.952 -1.903) 2.128 1.793 ( 0.000 2.098 7.833) 8.110 1.888 ( 0.000 -3.208 -1.989) 3.775 1.893 ( 0.000 -2.327 1.395) 2.713 1.990 ( 0.000 -1.468 -6.403) 6.569 1.999 ( 0.000 -0.214 1.841) 1.853 2.022 ( 0.000 10.346 6.667) 12.308 2.028 ( 0.000 -1.141 -2.650) 2.885 2.090 ( 0.000 0.374 2.887) 2.911 2.133 ( 0.000 3.483 -3.074) 4.645 2.147 ( 0.000 -2.403 -3.505) 4.249 2.274 ( 0.000 3.302 1.259) 3.534 2.341 ( 0.000 8.210 -6.844) 10.688 2.386 ( 0.000 3.400 2.424) 4.175 2.407 ( 0.000 3.365 1.510) 3.688 2.418 ( 0.000 5.461 8.756) 10.320 2.495 ( 0.000 7.265 7.863) 10.706 2.582 ( 0.000 3.655 -7.414) 8.266 2.662 ( 0.000 0.879 -3.053) 3.177 2.683 ( 0.000 7.417 2.962) 7.987 2.713 ( 0.000 3.225 -5.532) 6.404 2.762 ( 0.000 -4.037 -4.028) 5.703 2.772 ( 0.000 7.045 -5.727) 9.079 2.985 ( 0.000 -1.926 3.174) 3.713 3.053 ( 0.000 -1.019 -3.493) 3.639 3.088 ( 0.000 1.178 -1.385) 1.818 3.091 ( 0.000 1.822 -1.224) 2.195 3.206 ( 0.000 1.896 1.362) 2.335 3.210 ( 0.000 1.505 0.545) 1.600 3.295 ( 0.000 -0.666 6.159) 6.195 3.395 ( 0.000 2.025 -4.477) 4.913 3.430 ( 0.000 0.367 2.534) 2.560 3.484 ( 0.000 -3.134 -2.629) 4.090 3.649 ( 0.000 4.539 1.494) 4.778 3.679 ( 0.000 2.994 -1.627) 3.407 3.769 ( 0.000 3.281 0.617) 3.338 3.770 ( 0.000 1.951 0.820) 2.116 3.798 ( 0.000 -3.711 2.565) 4.511 3.849 ( 0.000 -4.331 -2.270) 4.890 4.277 ( 0.000 -12.003 16.088) 20.072 4.558 ( 0.000 -11.437 -13.154) 17.431 10.285 ( 0.000 -0.192 0.468) 0.506 10.300 ( 0.000 -0.323 -0.957) 1.010 10.370 ( 0.000 -1.561 0.172) 1.571 10.376 ( 0.000 -1.349 -0.423) 1.414 10.458 ( 0.000 2.030 1.902) 2.782 10.495 ( 0.000 3.012 -1.836) 3.528 10.568 ( 0.000 1.974 3.817) 4.297 10.639 ( 0.000 2.174 -3.442) 4.071 14.739 ( 0.000 -0.214 0.367) 0.424 14.748 ( 0.000 -0.333 -0.585) 0.673 14.778 ( 0.000 -0.422 0.270) 0.501 14.788 ( 0.000 -0.394 -0.719) 0.820 14.922 ( 0.000 0.054 0.032) 0.063 14.929 ( 0.000 -0.448 -0.632) 0.775 15.097 ( 0.000 0.058 0.806) 0.808 15.105 ( 0.000 0.099 0.127) 0.161 15.197 ( 0.000 1.439 1.767) 2.279 15.236 ( 0.000 0.947 -2.266) 2.456 15.371 ( 0.000 0.938 0.896) 1.297 15.377 ( 0.000 1.294 0.283) 1.325 19.404 ( 0.000 1.658 3.198) 3.602 19.475 ( 0.000 0.876 -4.170) 4.261 19.853 ( 0.000 -3.820 4.623) 5.997 19.932 ( 0.000 -4.706 -3.538) 5.887 28.739 ( 0.000 0.638 0.662) 0.920 28.753 ( 0.000 0.657 -0.751) 0.998 28.851 ( 0.000 -1.442 0.688) 1.598 28.864 ( 0.000 -1.601 -0.648) 1.727 33.381 ( 0.000 -2.887 3.945) 4.889 33.466 ( 0.000 -4.131 -4.720) 6.272 33.556 ( 0.000 -3.173 4.515) 5.519 33.620 ( 0.000 -3.488 -2.217) 4.134 33.771 ( 0.000 4.438 0.459) 4.461 33.777 ( 0.000 4.324 -0.190) 4.329 34.829 ( 0.000 4.671 5.012) 6.851 34.947 ( 0.000 4.036 -7.206) 8.259 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( 13.043 1.576 6.671) 14.735 0.999 ( 12.522 -2.846 -1.421) 12.920 1.182 ( 2.441 13.678 3.304) 14.282 1.234 ( 4.014 12.669 -2.137) 13.460 1.346 ( 5.057 6.620 6.086) 10.317 1.491 ( 0.719 5.060 -7.994) 9.488 1.714 ( -0.156 3.869 1.951) 4.336 1.756 ( 1.424 0.871 -2.298) 2.841 1.798 ( 0.106 0.739 7.475) 7.513 1.870 ( -1.062 -1.694 1.961) 2.801 1.903 ( 1.317 -2.265 -0.463) 2.661 1.963 ( -0.749 -0.353 -3.861) 3.948 2.022 ( 1.744 -0.001 1.265) 2.154 2.064 ( 1.940 -1.766 -3.163) 4.110 2.093 ( 4.963 4.977 2.037) 7.318 2.133 ( 4.614 2.116 0.173) 5.079 2.148 ( 0.384 1.609 -0.222) 1.669 2.178 ( 3.092 -1.047 -1.122) 3.452 2.276 ( 0.510 1.895 1.258) 2.331 2.345 ( 1.062 7.860 -6.212) 10.074 2.363 ( -0.806 3.024 2.083) 3.760 2.385 ( -1.983 2.386 0.359) 3.123 2.428 ( -1.259 5.439 6.952) 8.916 2.472 ( -0.285 5.790 6.360) 8.606 2.567 ( -2.961 6.812 -3.389) 8.164 2.632 ( 0.580 -1.759 -3.232) 3.725 2.667 ( -4.064 -2.844 0.241) 4.966 2.691 ( -2.865 2.260 -5.760) 6.819 2.763 ( 2.241 5.861 -1.687) 6.498 2.780 ( 0.907 6.131 -3.246) 6.996 2.994 ( 0.309 -0.588 2.283) 2.378 3.019 ( -2.375 -0.403 0.265) 2.423 3.074 ( -0.795 2.495 -2.378) 3.537 3.088 ( -0.458 2.279 -3.135) 3.903 3.198 ( -1.355 1.382 3.560) 4.052 3.230 ( 0.658 2.159 0.601) 2.335 3.314 ( 1.149 0.764 1.673) 2.169 3.355 ( -0.324 1.358 -1.485) 2.038 3.455 ( 0.604 -0.184 1.559) 1.682 3.498 ( -0.020 -2.690 -2.177) 3.461 3.631 ( -3.934 6.567 2.001) 7.913 3.664 ( -2.959 5.405 -0.700) 6.202 3.684 ( 0.706 0.562 -0.322) 0.958 3.709 ( -0.211 -0.687 -1.875) 2.008 3.907 ( 4.492 -2.002 2.331) 5.442 3.938 ( 4.954 -6.021 -1.076) 7.871 4.252 ( -2.458 -11.462 15.144) 19.151 4.520 ( -3.870 -11.107 -12.592) 17.231 10.300 ( 1.273 -0.146 0.675) 1.448 10.318 ( 1.561 -0.426 -1.112) 1.964 10.387 ( 1.491 -0.868 0.413) 1.775 10.395 ( 1.799 -1.106 -0.464) 2.162 10.456 ( -0.212 1.622 1.703) 2.361 10.488 ( -0.707 2.366 -1.480) 2.879 10.559 ( -0.867 2.336 3.113) 3.988 10.621 ( -1.670 2.069 -3.169) 4.137 14.716 ( -1.703 -0.046 0.686) 1.837 14.732 ( -1.471 -0.248 -0.907) 1.746 14.776 ( -0.227 -0.455 0.444) 0.675 14.787 ( -0.174 -0.347 -0.736) 0.833 14.931 ( 0.930 0.172 0.017) 0.946 14.939 ( 0.864 -0.341 -0.617) 1.115 15.084 ( -1.190 0.047 0.675) 1.369 15.090 ( -1.350 0.100 0.188) 1.366 15.191 ( -0.457 1.373 1.783) 2.296 15.229 ( -0.540 0.942 -2.152) 2.411 15.312 ( -4.282 1.747 1.908) 5.003 15.338 ( -3.239 1.492 -0.723) 3.638 19.585 ( 13.313 -1.771 -0.161) 13.431 19.606 ( 11.831 -1.755 -2.123) 12.148 19.890 ( 3.148 -3.771 4.458) 6.634 19.968 ( 3.165 -4.875 -3.648) 6.862 28.750 ( 0.926 0.210 0.366) 1.018 28.760 ( 0.629 0.421 -0.651) 0.998 28.852 ( 0.037 -1.423 0.560) 1.530 28.863 ( -0.122 -1.575 -0.600) 1.690 33.396 ( 1.355 -3.032 4.186) 5.343 33.483 ( 1.496 -4.340 -4.677) 6.554 33.547 ( -0.853 -3.169 4.445) 5.525 33.613 ( -0.711 -3.469 -2.375) 4.264 33.804 ( 3.262 5.192 0.680) 6.170 33.815 ( 3.651 5.043 -0.402) 6.239 34.711 ( -10.548 5.941 3.451) 12.589 34.785 ( -13.662 6.887 -4.167) 15.857 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 12.965 5.589 5.320) 15.087 1.259 ( 4.318 12.023 4.005) 13.388 1.271 ( 10.258 7.122 0.110) 12.489 1.332 ( 5.513 5.102 -2.922) 8.060 1.437 ( 2.597 7.920 1.854) 8.539 1.515 ( 2.002 7.480 -5.158) 9.304 1.638 ( -6.174 6.033 2.630) 9.023 1.739 ( -3.506 4.338 -6.860) 8.841 1.834 ( 2.655 -1.952 3.702) 4.956 1.870 ( 0.624 -1.684 1.001) 2.056 1.940 ( 0.359 -1.348 2.366) 2.747 2.001 ( -1.043 -0.058 -3.280) 3.443 2.026 ( 3.699 -1.465 2.372) 4.632 2.076 ( 1.043 -1.049 -1.069) 1.826 2.149 ( 1.716 -1.866 0.795) 2.657 2.185 ( 1.649 -2.006 -2.355) 3.506 2.207 ( 1.081 0.557 2.418) 2.707 2.264 ( 1.770 -0.496 -2.715) 3.279 2.299 ( -0.242 -0.682 2.937) 3.025 2.348 ( -1.393 -3.421 -0.865) 3.793 2.367 ( 1.896 6.964 3.665) 8.095 2.385 ( 3.634 8.909 -0.162) 9.623 2.435 ( 3.474 3.567 -0.127) 4.980 2.483 ( 0.328 6.435 6.821) 9.383 2.509 ( -1.528 0.880 -3.522) 3.939 2.569 ( -3.604 -1.015 2.384) 4.438 2.623 ( -0.649 1.415 -2.043) 2.569 2.658 ( -0.848 5.445 -8.730) 10.323 2.794 ( 0.794 3.526 -0.187) 3.619 2.817 ( 1.704 3.602 -2.565) 4.738 2.966 ( -2.496 1.203 1.439) 3.122 2.992 ( -1.151 2.327 -0.151) 2.601 3.051 ( -0.524 4.972 1.227) 5.148 3.086 ( 0.467 3.507 -0.741) 3.615 3.188 ( -0.133 1.756 2.363) 2.947 3.224 ( -0.906 1.576 -1.744) 2.518 3.291 ( -1.048 3.145 2.990) 4.464 3.365 ( -1.095 1.792 -3.077) 3.725 3.431 ( -3.274 0.631 0.557) 3.381 3.448 ( -3.830 0.600 -0.354) 3.892 3.624 ( 4.518 4.014 1.966) 6.355 3.665 ( 2.874 6.046 -2.008) 6.989 3.714 ( 1.530 0.250 0.685) 1.695 3.736 ( 1.730 -1.590 -1.220) 2.648 3.968 ( 1.503 -3.168 3.861) 5.216 4.018 ( 1.840 -9.234 -0.594) 9.435 4.187 ( -2.381 -10.004 9.383) 13.921 4.393 ( -7.807 -10.495 -10.544) 16.800 10.333 ( 1.767 -0.170 1.038) 2.056 10.353 ( 1.444 -0.530 -0.855) 1.760 10.432 ( 2.718 0.657 0.480) 2.837 10.439 ( 1.737 -1.041 0.066) 2.027 10.448 ( -0.543 0.750 0.961) 1.334 10.466 ( -0.902 2.328 -0.955) 2.673 10.535 ( -1.350 2.655 1.377) 3.282 10.573 ( -2.802 1.722 -2.271) 3.997 14.684 ( -1.055 -0.069 0.557) 1.195 14.698 ( -1.472 -0.119 -0.853) 1.705 14.770 ( -0.202 -0.409 0.373) 0.590 14.780 ( -0.501 -0.241 -0.565) 0.793 14.960 ( 1.758 0.323 -0.016) 1.787 14.965 ( 1.591 -0.111 -0.441) 1.655 15.051 ( -1.809 0.062 0.403) 1.854 15.054 ( -1.945 0.101 0.169) 1.955 15.184 ( -0.123 1.322 1.862) 2.287 15.220 ( -0.168 1.190 -1.864) 2.218 15.232 ( -2.860 1.664 2.199) 3.973 15.270 ( -2.722 1.450 -1.606) 3.477 19.820 ( 9.102 -3.168 2.198) 9.885 19.881 ( 9.251 -5.507 -3.442) 11.303 19.971 ( 4.792 -5.157 2.787) 7.572 20.043 ( 3.250 -5.879 -4.015) 7.826 28.771 ( 0.907 -0.423 -0.092) 1.004 28.775 ( 0.651 -0.109 -0.457) 0.803 28.853 ( 0.079 -1.395 0.246) 1.419 28.860 ( -0.196 -1.515 -0.446) 1.592 33.433 ( 2.092 -3.293 4.568) 6.007 33.515 ( -0.148 -3.576 1.049) 3.730 33.526 ( 0.369 -4.184 -0.882) 4.292 33.591 ( -1.294 -3.686 -2.865) 4.845 33.915 ( 7.480 7.329 1.243) 10.545 33.938 ( 8.209 6.655 -1.057) 10.621 34.428 ( -15.189 9.151 2.172) 17.865 34.464 ( -15.241 8.278 -1.581) 17.416 ======================= Grid point 143 (52/60) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -1.347 11.701 2.707) 12.085 1.328 ( 1.347 11.701 2.707) 12.085 1.418 ( -4.042 7.011 -0.545) 8.112 1.418 ( 4.042 7.011 -0.545) 8.112 1.477 ( -5.523 7.999 5.742) 11.290 1.477 ( 5.523 7.999 5.742) 11.290 1.630 ( -6.541 4.995 -9.321) 12.435 1.630 ( 6.541 4.995 -9.321) 12.435 1.884 ( -1.958 -1.093 1.560) 2.732 1.884 ( 1.958 -1.093 1.560) 2.732 1.914 ( -2.654 -2.135 -0.502) 3.443 1.914 ( 2.654 -2.135 -0.502) 3.443 2.150 ( -2.825 -1.315 2.879) 4.243 2.150 ( 2.825 -1.315 2.879) 4.243 2.181 ( -5.490 -2.264 1.332) 6.086 2.181 ( 5.490 -2.264 1.332) 6.086 2.224 ( -3.038 -3.741 -1.846) 5.161 2.224 ( 3.038 -3.741 -1.846) 5.161 2.277 ( -3.185 -4.409 -1.343) 5.602 2.277 ( 3.185 -4.409 -1.343) 5.602 2.435 ( -1.390 6.223 3.151) 7.112 2.435 ( 1.390 6.223 3.151) 7.112 2.475 ( -0.395 4.515 3.284) 5.597 2.475 ( 0.395 4.515 3.284) 5.597 2.533 ( -1.389 4.415 -0.712) 4.682 2.533 ( 1.389 4.415 -0.712) 4.682 2.635 ( -1.209 4.286 -5.809) 7.320 2.635 ( 1.209 4.286 -5.809) 7.320 2.820 ( -1.310 2.503 -0.654) 2.900 2.820 ( 1.310 2.503 -0.654) 2.900 2.942 ( -1.478 1.552 -0.735) 2.266 2.942 ( 1.478 1.552 -0.735) 2.266 3.083 ( -1.900 6.043 3.427) 7.202 3.083 ( 1.900 6.043 3.427) 7.202 3.189 ( -1.892 3.216 0.067) 3.731 3.189 ( 1.892 3.216 0.067) 3.731 3.316 ( -2.573 1.395 -2.690) 3.975 3.316 ( 2.573 1.395 -2.690) 3.975 3.393 ( -0.876 1.211 0.321) 1.529 3.393 ( 0.876 1.211 0.321) 1.529 3.705 ( -0.517 4.058 -0.178) 4.095 3.705 ( 0.517 4.058 -0.178) 4.095 3.748 ( -1.753 1.191 2.088) 2.975 3.748 ( 1.753 1.191 2.088) 2.975 3.996 ( -2.090 -8.401 4.383) 9.704 3.996 ( 2.090 -8.401 4.383) 9.704 4.231 ( -6.271 -9.928 -5.032) 12.775 4.231 ( 6.271 -9.928 -5.032) 12.775 10.364 ( -0.701 -0.258 0.710) 1.030 10.364 ( 0.701 -0.258 0.710) 1.030 10.439 ( -0.124 -0.425 0.222) 0.495 10.439 ( 0.124 -0.425 0.222) 0.495 10.481 ( -0.329 2.843 -0.434) 2.894 10.481 ( 0.329 2.843 -0.434) 2.894 10.517 ( -1.318 1.212 -0.513) 1.863 10.517 ( 1.318 1.212 -0.513) 1.863 14.677 ( -0.388 -0.163 -0.208) 0.470 14.677 ( 0.388 -0.163 -0.208) 0.470 14.771 ( -0.254 -0.263 -0.082) 0.375 14.771 ( 0.254 -0.263 -0.082) 0.375 14.994 ( -0.187 0.366 -0.099) 0.422 14.994 ( 0.187 0.366 -0.099) 0.422 15.020 ( -0.095 -0.085 0.116) 0.172 15.020 ( 0.095 -0.085 0.116) 0.172 15.192 ( -1.017 1.512 2.055) 2.746 15.192 ( 1.017 1.512 2.055) 2.746 15.230 ( -1.129 1.120 -1.821) 2.417 15.230 ( 1.129 1.120 -1.821) 2.417 19.938 ( -1.940 -3.435 2.393) 4.614 19.938 ( 1.940 -3.435 2.393) 4.614 20.067 ( -1.910 -7.517 -3.585) 8.545 20.067 ( 1.910 -7.517 -3.585) 8.545 28.782 ( -0.076 -0.519 -0.309) 0.609 28.782 ( 0.076 -0.519 -0.309) 0.609 28.856 ( -0.175 -1.436 -0.145) 1.454 28.856 ( 0.175 -1.436 -0.145) 1.454 33.479 ( -2.123 -3.331 4.665) 6.112 33.479 ( 2.123 -3.331 4.665) 6.112 33.560 ( -1.665 -4.207 -3.619) 5.793 33.560 ( 1.665 -4.207 -3.619) 5.793 34.108 ( -6.081 9.982 0.830) 11.718 34.108 ( 6.081 9.982 0.830) 11.718 34.182 ( -6.490 7.262 -0.432) 9.749 34.182 ( 6.490 7.262 -0.432) 9.749 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 0.000 -2.263 1.171) 2.548 0.731 ( 0.000 -4.557 -0.940) 4.653 1.413 ( 0.000 8.086 10.251) 13.056 1.449 ( 0.000 11.962 1.541) 12.061 1.483 ( 0.000 12.047 -2.344) 12.273 1.569 ( 0.000 4.713 -5.567) 7.294 1.728 ( 0.000 2.015 -1.215) 2.353 1.732 ( 0.000 -0.622 -0.318) 0.698 1.819 ( 0.000 -3.054 -2.664) 4.053 1.825 ( 0.000 0.336 1.547) 1.583 1.832 ( 0.000 -1.900 -1.444) 2.386 1.931 ( 0.000 -5.044 -0.611) 5.081 1.939 ( 0.000 -5.230 -2.375) 5.744 1.958 ( 0.000 -3.434 -9.199) 9.819 2.066 ( 0.000 -1.621 1.817) 2.435 2.084 ( 0.000 -3.011 -0.032) 3.011 2.177 ( 0.000 4.024 1.921) 4.459 2.190 ( 0.000 2.550 -0.012) 2.550 2.371 ( 0.000 4.548 1.134) 4.687 2.424 ( 0.000 2.519 -3.868) 4.616 2.481 ( 0.000 -0.396 1.486) 1.538 2.485 ( 0.000 3.910 2.550) 4.668 2.500 ( 0.000 -2.508 1.476) 2.911 2.515 ( 0.000 -1.456 0.457) 1.526 2.680 ( 0.000 9.974 7.597) 12.538 2.698 ( 0.000 4.633 3.519) 5.818 2.760 ( 0.000 2.884 -3.073) 4.214 2.820 ( 0.000 3.745 -6.356) 7.377 2.880 ( 0.000 7.964 1.631) 8.130 2.911 ( 0.000 6.002 -1.022) 6.089 2.987 ( 0.000 2.295 -0.204) 2.304 3.021 ( 0.000 -2.062 -2.841) 3.510 3.094 ( 0.000 -0.902 -0.757) 1.177 3.121 ( 0.000 0.911 -3.513) 3.629 3.196 ( 0.000 -1.770 2.349) 2.941 3.224 ( 0.000 -1.666 -0.406) 1.715 3.345 ( 0.000 5.640 2.496) 6.168 3.375 ( 0.000 -0.688 -0.896) 1.129 3.443 ( 0.000 0.172 1.013) 1.027 3.481 ( 0.000 1.683 -2.271) 2.827 3.652 ( 0.000 -2.848 1.765) 3.351 3.677 ( 0.000 -3.194 -0.751) 3.281 3.737 ( 0.000 -1.696 2.510) 3.029 3.771 ( 0.000 -3.182 -1.014) 3.340 3.857 ( 0.000 5.923 0.645) 5.958 3.862 ( 0.000 5.709 0.036) 5.709 4.077 ( 0.000 -6.807 12.926) 14.608 4.310 ( 0.000 -12.849 -10.823) 16.800 10.288 ( 0.000 0.393 0.338) 0.519 10.299 ( 0.000 0.179 -0.679) 0.703 10.336 ( 0.000 -1.517 -0.031) 1.517 10.343 ( 0.000 -1.539 -0.693) 1.687 10.506 ( 0.000 2.224 2.650) 3.460 10.540 ( 0.000 1.033 0.049) 1.035 10.618 ( 0.000 2.725 1.249) 2.997 10.670 ( 0.000 0.679 -3.225) 3.296 14.740 ( 0.000 0.349 0.302) 0.461 14.749 ( 0.000 0.378 -0.559) 0.675 14.767 ( 0.000 -0.696 0.358) 0.783 14.777 ( 0.000 -0.698 -0.726) 1.007 14.941 ( 0.000 1.272 -0.076) 1.274 14.942 ( 0.000 1.524 -0.322) 1.558 15.094 ( 0.000 -0.356 0.702) 0.787 15.098 ( 0.000 -0.666 0.385) 0.769 15.218 ( 0.000 0.680 0.484) 0.835 15.241 ( 0.000 -0.353 -1.815) 1.849 15.383 ( 0.000 0.375 1.291) 1.344 15.392 ( 0.000 0.206 0.385) 0.437 19.447 ( 0.000 2.356 2.197) 3.221 19.495 ( 0.000 0.731 -2.795) 2.889 19.782 ( 0.000 -2.684 3.053) 4.065 19.834 ( 0.000 -4.507 -2.380) 5.097 28.758 ( 0.000 1.195 0.683) 1.376 28.771 ( 0.000 1.114 -0.653) 1.291 28.819 ( 0.000 -1.640 0.596) 1.745 28.830 ( 0.000 -1.682 -0.519) 1.760 33.338 ( 0.000 -1.093 1.731) 2.047 33.388 ( 0.000 -3.288 -3.288) 4.650 33.507 ( 0.000 -1.518 2.927) 3.298 33.546 ( 0.000 -3.282 -1.184) 3.489 33.850 ( 0.000 2.984 0.395) 3.010 33.854 ( 0.000 2.823 0.055) 2.824 34.925 ( 0.000 4.289 3.342) 5.437 35.000 ( 0.000 1.100 -4.299) 4.437 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.17 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( 16.017 -1.107 1.810) 16.157 0.936 ( 16.437 -2.358 -1.210) 16.650 1.430 ( 2.216 9.904 6.237) 11.912 1.489 ( 1.939 11.061 0.291) 11.233 1.504 ( 2.677 8.956 0.600) 9.367 1.594 ( 2.006 5.313 -4.804) 7.439 1.757 ( 1.661 -0.125 0.718) 1.813 1.774 ( 3.959 1.374 -1.763) 4.546 1.808 ( -0.405 -0.925 1.029) 1.441 1.832 ( 0.867 -2.841 -1.680) 3.412 1.856 ( 1.250 0.710 -0.808) 1.649 1.940 ( 0.266 -3.722 -2.608) 4.553 1.951 ( 1.245 -4.802 -2.238) 5.442 1.980 ( 1.752 -4.184 -6.826) 8.196 2.114 ( 2.717 -2.483 1.801) 4.098 2.126 ( 2.693 -2.749 0.805) 3.932 2.183 ( 0.358 1.570 1.110) 1.956 2.202 ( 1.386 1.616 -0.768) 2.264 2.316 ( -3.050 2.744 1.234) 4.284 2.359 ( -3.502 2.963 -2.502) 5.225 2.451 ( -2.505 -1.891 1.729) 3.583 2.475 ( -1.051 -2.497 -1.484) 3.089 2.535 ( 1.915 3.842 5.300) 6.821 2.569 ( 1.960 1.763 1.547) 3.057 2.630 ( -2.451 9.771 4.660) 11.099 2.663 ( -1.646 4.765 3.237) 5.991 2.720 ( -3.285 4.920 -3.497) 6.872 2.777 ( -1.611 3.132 -6.611) 7.491 2.871 ( -1.538 4.028 0.685) 4.366 2.898 ( -1.462 4.783 -2.088) 5.420 3.005 ( 0.804 0.264 1.263) 1.520 3.022 ( 0.865 2.042 -0.446) 2.262 3.121 ( 2.178 2.058 -0.807) 3.104 3.145 ( 1.801 2.528 -3.057) 4.357 3.215 ( 0.763 -0.327 2.997) 3.110 3.264 ( 1.435 -2.306 -1.593) 3.149 3.338 ( 0.696 4.486 2.222) 5.055 3.367 ( 1.498 1.386 -0.434) 2.086 3.457 ( -0.066 0.445 0.745) 0.870 3.480 ( -1.089 1.468 -1.108) 2.137 3.628 ( -1.904 -2.161 2.089) 3.558 3.661 ( -1.148 -1.633 -0.736) 2.127 3.747 ( -0.344 -3.850 0.515) 3.900 3.757 ( 0.335 -5.942 0.414) 5.966 3.851 ( -0.307 5.080 0.392) 5.104 3.858 ( -0.129 2.937 -0.235) 2.950 4.081 ( -0.179 -5.032 11.284) 12.357 4.291 ( -2.250 -11.378 -9.906) 15.252 10.303 ( 1.221 0.357 0.369) 1.325 10.313 ( 1.306 -0.051 -0.679) 1.473 10.359 ( 1.944 -1.369 0.093) 2.379 10.364 ( 1.937 -1.546 -0.461) 2.521 10.500 ( -0.499 2.120 2.246) 3.128 10.529 ( -0.957 1.138 -0.082) 1.489 10.611 ( -0.683 2.579 0.947) 2.831 10.653 ( -1.545 0.866 -2.780) 3.296 14.725 ( -1.245 0.782 0.497) 1.552 14.737 ( -1.087 0.682 -0.709) 1.466 14.763 ( -0.282 -0.803 0.546) 1.011 14.776 ( -0.180 -0.812 -0.789) 1.147 14.950 ( 0.881 1.322 0.051) 1.589 14.953 ( 1.007 1.450 -0.376) 1.805 15.083 ( -1.014 -0.175 0.621) 1.202 15.086 ( -1.054 -0.400 0.341) 1.178 15.208 ( -0.727 0.458 0.616) 1.058 15.232 ( -0.683 -0.518 -1.737) 1.937 15.338 ( -3.602 0.895 1.605) 4.044 15.355 ( -3.068 0.247 -0.191) 3.083 19.566 ( 9.904 0.028 0.792) 9.935 19.589 ( 8.053 -0.363 -1.636) 8.226 19.821 ( 3.267 -2.532 2.803) 4.995 19.870 ( 3.015 -4.390 -2.287) 5.796 28.763 ( 0.427 1.008 0.578) 1.237 28.775 ( 0.279 0.966 -0.600) 1.171 28.820 ( 0.093 -1.600 0.496) 1.678 28.830 ( -0.047 -1.628 -0.465) 1.693 33.351 ( 1.180 -1.160 1.871) 2.497 33.402 ( 1.242 -3.417 -3.249) 4.876 33.499 ( -0.807 -1.460 2.858) 3.309 33.539 ( -0.705 -3.260 -1.355) 3.600 33.896 ( 4.446 3.473 0.571) 5.671 33.902 ( 4.695 3.201 -0.065) 5.682 34.824 ( -9.130 4.728 2.681) 10.625 34.882 ( -10.498 2.531 -3.209) 11.266 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.33 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 17.299 1.924 2.247) 17.550 1.305 ( 16.518 0.959 -0.497) 16.554 1.501 ( 4.102 10.203 1.400) 11.085 1.522 ( 1.421 10.555 -1.083) 10.706 1.572 ( 2.957 5.705 2.296) 6.824 1.636 ( 1.878 4.977 -3.739) 6.502 1.755 ( -2.406 3.454 1.767) 4.565 1.798 ( -0.402 -1.621 -0.125) 1.675 1.838 ( -0.558 3.916 -1.084) 4.102 1.868 ( 0.720 0.906 -0.716) 1.361 1.887 ( 2.974 -2.881 -0.296) 4.151 1.953 ( 0.938 -2.870 -4.788) 5.661 1.969 ( 0.747 -3.290 0.782) 3.463 2.011 ( 0.777 -4.561 -3.707) 5.929 2.125 ( -1.842 -1.397 1.196) 2.603 2.143 ( -2.285 -0.737 -1.072) 2.630 2.160 ( -1.994 -6.161 0.128) 6.477 2.173 ( -0.879 -3.437 -0.750) 3.626 2.232 ( -5.811 -5.352 0.762) 7.937 2.287 ( -5.051 -3.405 -3.759) 7.158 2.487 ( 5.619 5.613 4.202) 8.985 2.508 ( 4.152 3.107 0.751) 5.240 2.569 ( 2.303 6.566 4.862) 8.489 2.580 ( -0.533 3.678 4.875) 6.130 2.627 ( 2.325 7.197 1.110) 7.644 2.654 ( 0.722 7.033 0.368) 7.080 2.699 ( 1.165 4.172 -4.727) 6.411 2.757 ( -0.229 3.287 -6.904) 7.650 2.835 ( -1.236 1.548 0.412) 2.023 2.860 ( -1.577 1.914 -2.125) 3.266 3.000 ( -1.472 2.371 1.951) 3.405 3.034 ( -0.911 2.172 -0.565) 2.422 3.172 ( 2.423 4.031 1.129) 4.837 3.180 ( 0.637 5.422 0.373) 5.472 3.224 ( 0.796 1.264 0.307) 1.525 3.241 ( -1.011 0.366 -0.426) 1.156 3.383 ( 0.832 4.727 2.029) 5.211 3.423 ( 0.689 3.354 -1.463) 3.723 3.432 ( -1.134 -0.839 0.900) 1.673 3.438 ( -1.440 -0.470 0.511) 1.599 3.605 ( 0.611 -2.660 1.956) 3.358 3.648 ( 1.116 -3.790 -2.167) 4.506 3.731 ( -1.399 -4.386 2.309) 5.150 3.760 ( -1.123 -6.312 -0.491) 6.430 3.865 ( 2.218 1.500 0.481) 2.720 3.874 ( 1.709 -0.555 -0.581) 1.888 4.056 ( -1.873 -3.308 6.938) 7.911 4.202 ( -6.123 -8.386 -7.371) 12.734 10.334 ( 1.703 0.252 0.595) 1.821 10.346 ( 1.578 -0.197 -0.529) 1.676 10.401 ( 1.337 -1.570 0.555) 2.136 10.406 ( 1.329 -1.661 0.033) 2.127 10.495 ( 0.647 2.232 1.116) 2.578 10.514 ( 0.156 1.620 -0.685) 1.766 10.587 ( -1.597 2.185 0.268) 2.720 10.607 ( -2.718 1.281 -1.647) 3.426 14.700 ( -0.898 1.384 0.523) 1.731 14.711 ( -1.184 1.253 -0.608) 1.828 14.758 ( -0.141 -0.909 0.531) 1.063 14.769 ( -0.466 -0.915 -0.605) 1.191 14.976 ( 1.587 1.163 0.200) 1.978 14.981 ( 1.585 1.269 -0.347) 2.060 15.054 ( -1.592 0.237 0.433) 1.666 15.057 ( -1.617 0.142 0.205) 1.636 15.197 ( -0.137 0.247 0.920) 0.963 15.221 ( -0.151 -0.606 -1.478) 1.604 15.262 ( -3.129 0.977 1.538) 3.621 15.286 ( -3.047 0.054 -0.911) 3.181 19.769 ( 8.061 -1.718 0.586) 8.263 19.789 ( 9.216 -3.137 -1.465) 9.845 19.890 ( 2.607 -2.612 2.284) 4.340 19.934 ( 2.270 -4.478 -2.184) 5.475 28.774 ( 0.524 0.634 0.283) 0.870 28.781 ( 0.234 0.646 -0.419) 0.804 28.823 ( 0.133 -1.501 0.255) 1.528 28.828 ( -0.102 -1.510 -0.295) 1.542 33.385 ( 1.976 -1.270 2.167) 3.196 33.436 ( 1.904 -3.539 -2.961) 4.991 33.472 ( -1.693 -1.389 2.663) 3.448 33.516 ( -1.516 -3.311 -1.826) 4.074 34.041 ( 9.289 4.609 0.891) 10.408 34.053 ( 9.578 4.101 -0.345) 10.424 34.574 ( -13.785 5.405 1.606) 14.893 34.604 ( -14.774 4.519 -1.470) 15.519 ======================= Grid point 150 (56/60) ======================= q-point: (-0.50 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( -2.431 7.453 0.561) 7.859 1.519 ( 2.431 7.453 0.561) 7.859 1.556 ( -3.633 7.039 0.882) 7.971 1.556 ( 3.633 7.039 0.882) 7.971 1.639 ( -6.843 6.451 2.491) 9.729 1.639 ( 6.843 6.451 2.491) 9.729 1.724 ( -7.498 2.695 -5.770) 9.838 1.724 ( 7.498 2.695 -5.770) 9.838 1.834 ( -2.158 -2.402 1.794) 3.694 1.834 ( 2.158 -2.402 1.794) 3.694 1.912 ( -1.471 2.066 -1.157) 2.788 1.912 ( 1.471 2.066 -1.157) 2.788 2.029 ( -1.836 -8.465 -0.342) 8.668 2.029 ( 1.836 -8.465 -0.342) 8.668 2.113 ( -2.135 -2.782 2.000) 4.037 2.113 ( 2.135 -2.782 2.000) 4.037 2.160 ( -1.199 -5.647 -2.644) 6.350 2.160 ( 1.199 -5.647 -2.644) 6.350 2.165 ( -3.673 -3.736 -3.541) 6.324 2.165 ( 3.673 -3.736 -3.541) 6.324 2.565 ( -1.147 4.649 6.510) 8.081 2.565 ( 1.147 4.649 6.510) 8.081 2.581 ( -1.568 5.512 1.264) 5.868 2.581 ( 1.568 5.512 1.264) 5.868 2.670 ( -1.238 6.769 -0.271) 6.887 2.670 ( 1.238 6.769 -0.271) 6.887 2.738 ( -2.002 4.564 -4.652) 6.818 2.738 ( 2.002 4.564 -4.652) 6.818 2.852 ( -1.345 2.438 -0.565) 2.841 2.852 ( 1.345 2.438 -0.565) 2.841 2.977 ( -2.120 1.714 -0.759) 2.829 2.977 ( 2.120 1.714 -0.759) 2.829 3.190 ( -0.781 4.421 3.300) 5.572 3.190 ( 0.781 4.421 3.300) 5.572 3.241 ( -0.199 1.123 -0.838) 1.416 3.241 ( 0.199 1.123 -0.838) 1.416 3.394 ( -1.177 4.809 -0.400) 4.967 3.394 ( 1.177 4.809 -0.400) 4.967 3.419 ( -0.782 0.867 0.153) 1.178 3.419 ( 0.782 0.867 0.153) 1.178 3.667 ( -3.864 -6.200 3.283) 8.009 3.667 ( 3.864 -6.200 3.283) 8.009 3.711 ( -3.073 -5.512 -1.254) 6.434 3.711 ( 3.073 -5.512 -1.254) 6.434 3.906 ( -0.550 0.879 0.796) 1.307 3.906 ( 0.550 0.879 0.796) 1.307 4.068 ( -4.802 -5.712 -2.039) 7.736 4.068 ( 4.802 -5.712 -2.039) 7.736 10.364 ( -0.504 0.276 0.511) 0.769 10.364 ( 0.504 0.276 0.511) 0.769 10.408 ( -0.290 -1.819 0.196) 1.853 10.408 ( 0.290 -1.819 0.196) 1.853 10.534 ( -0.932 2.194 -0.359) 2.411 10.534 ( 0.932 2.194 -0.359) 2.411 10.553 ( -0.452 1.477 -0.467) 1.614 10.553 ( 0.452 1.477 -0.467) 1.614 14.694 ( -0.330 1.570 -0.030) 1.604 14.694 ( 0.330 1.570 -0.030) 1.604 14.760 ( -0.324 -0.961 0.010) 1.014 14.760 ( 0.324 -0.961 0.010) 1.014 15.009 ( -0.518 1.026 0.071) 1.151 15.009 ( 0.518 1.026 0.071) 1.151 15.026 ( -0.418 0.476 0.132) 0.648 15.026 ( 0.418 0.476 0.132) 0.648 15.208 ( -1.243 0.488 1.117) 1.741 15.208 ( 1.243 0.488 1.117) 1.741 15.239 ( -1.287 -0.347 -1.147) 1.759 15.239 ( 1.287 -0.347 -1.147) 1.759 19.881 ( -1.886 -1.880 1.086) 2.876 19.881 ( 1.886 -1.880 1.086) 2.876 19.936 ( -2.316 -4.952 -1.526) 5.675 19.936 ( 2.316 -4.952 -1.526) 5.675 28.782 ( -0.178 0.459 -0.099) 0.502 28.782 ( 0.178 0.459 -0.099) 0.502 28.826 ( -0.134 -1.443 -0.033) 1.449 28.826 ( 0.134 -1.443 -0.033) 1.449 33.430 ( -2.162 -1.324 2.459) 3.532 33.430 ( 2.162 -1.324 2.459) 3.532 33.478 ( -1.978 -3.475 -2.446) 4.687 33.478 ( 1.978 -3.475 -2.446) 4.687 34.274 ( -7.243 5.984 0.603) 9.414 34.274 ( 7.243 5.984 0.603) 9.414 34.306 ( -7.553 4.334 -0.142) 8.710 34.306 ( 7.553 4.334 -0.142) 8.710 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.000 -0.062 -1.077) 1.078 0.683 ( 0.000 0.062 -1.077) 1.078 1.545 ( 0.000 -3.430 7.882) 8.596 1.545 ( 0.000 3.430 7.882) 8.596 1.642 ( 0.000 -0.876 -3.921) 4.018 1.642 ( 0.000 0.876 -3.921) 4.018 1.754 ( 0.000 -2.652 -4.059) 4.849 1.754 ( 0.000 2.652 -4.059) 4.849 1.794 ( 0.000 -0.681 -1.254) 1.427 1.794 ( 0.000 0.681 -1.254) 1.427 1.820 ( 0.000 -1.329 -1.706) 2.163 1.820 ( 0.000 1.329 -1.706) 2.163 1.893 ( 0.000 -2.978 -5.128) 5.930 1.893 ( 0.000 2.978 -5.128) 5.930 2.047 ( 0.000 -0.268 1.476) 1.501 2.047 ( 0.000 0.268 1.476) 1.501 2.224 ( 0.000 -0.182 0.550) 0.579 2.224 ( 0.000 0.182 0.550) 0.579 2.413 ( 0.000 -0.868 0.372) 0.945 2.413 ( 0.000 0.868 0.372) 0.945 2.449 ( 0.000 -0.229 -1.521) 1.538 2.449 ( 0.000 0.229 -1.521) 1.538 2.545 ( 0.000 -0.757 2.933) 3.029 2.545 ( 0.000 0.757 2.933) 3.029 2.769 ( 0.000 -2.027 -0.379) 2.062 2.769 ( 0.000 2.027 -0.379) 2.062 2.825 ( 0.000 -1.943 0.498) 2.006 2.825 ( 0.000 1.943 0.498) 2.006 2.982 ( 0.000 -0.127 -0.801) 0.811 2.982 ( 0.000 0.127 -0.801) 0.811 2.999 ( 0.000 -0.939 1.628) 1.880 2.999 ( 0.000 0.939 1.628) 1.880 3.119 ( 0.000 -3.207 -0.636) 3.269 3.119 ( 0.000 3.207 -0.636) 3.269 3.170 ( 0.000 -0.092 -0.941) 0.946 3.170 ( 0.000 0.092 -0.941) 0.946 3.413 ( 0.000 -2.702 2.906) 3.968 3.413 ( 0.000 2.702 2.906) 3.968 3.464 ( 0.000 -4.358 -1.889) 4.750 3.464 ( 0.000 4.358 -1.889) 4.750 3.621 ( 0.000 -0.775 1.965) 2.112 3.621 ( 0.000 0.775 1.965) 2.112 3.726 ( 0.000 -0.797 0.650) 1.028 3.726 ( 0.000 0.797 0.650) 1.028 3.952 ( 0.000 -2.031 1.552) 2.556 3.952 ( 0.000 2.031 1.552) 2.556 4.061 ( 0.000 -9.541 -2.535) 9.872 4.061 ( 0.000 9.541 -2.535) 9.872 10.299 ( 0.000 -0.504 0.218) 0.549 10.299 ( 0.000 0.504 0.218) 0.549 10.321 ( 0.000 -0.424 -0.764) 0.873 10.321 ( 0.000 0.424 -0.764) 0.873 10.539 ( 0.000 -0.944 2.232) 2.424 10.539 ( 0.000 0.944 2.232) 2.424 10.663 ( 0.000 -1.402 -1.851) 2.322 10.663 ( 0.000 1.402 -1.851) 2.322 14.751 ( 0.000 -0.654 0.335) 0.734 14.751 ( 0.000 0.654 0.335) 0.734 14.762 ( 0.000 -0.734 -0.636) 0.971 14.762 ( 0.000 0.734 -0.636) 0.971 14.961 ( 0.000 -0.148 0.064) 0.161 14.961 ( 0.000 0.148 0.064) 0.161 15.088 ( 0.000 -0.050 0.344) 0.347 15.088 ( 0.000 0.050 0.344) 0.347 15.230 ( 0.000 -0.576 -0.822) 1.003 15.230 ( 0.000 0.576 -0.822) 1.003 15.390 ( 0.000 -0.280 0.913) 0.955 15.390 ( 0.000 0.280 0.913) 0.955 19.489 ( 0.000 -1.436 0.059) 1.437 19.489 ( 0.000 1.436 0.059) 1.437 19.767 ( 0.000 -1.543 -0.030) 1.543 19.767 ( 0.000 1.543 -0.030) 1.543 28.786 ( 0.000 -1.480 0.588) 1.592 28.786 ( 0.000 1.480 0.588) 1.592 28.798 ( 0.000 -1.407 -0.504) 1.494 28.798 ( 0.000 1.407 -0.504) 1.494 33.340 ( 0.000 -1.281 -0.910) 1.572 33.340 ( 0.000 1.281 -0.910) 1.572 33.501 ( 0.000 -1.017 0.785) 1.285 33.501 ( 0.000 1.017 0.785) 1.285 33.883 ( 0.000 -0.079 0.265) 0.277 33.883 ( 0.000 0.079 0.265) 0.277 34.991 ( 0.000 -1.947 -0.287) 1.968 34.991 ( 0.000 1.947 -0.287) 1.968 ======================= Grid point 156 (58/60) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.902 ( 17.558 -0.842 -0.581) 17.588 0.902 ( 17.558 0.842 -0.581) 17.588 1.570 ( 2.407 -3.233 6.604) 7.737 1.570 ( 2.407 3.233 6.604) 7.737 1.669 ( 2.012 -1.788 -4.769) 5.476 1.669 ( 2.012 1.788 -4.769) 5.476 1.784 ( 1.613 -1.648 -1.596) 2.804 1.784 ( 1.613 1.648 -1.596) 2.804 1.796 ( 0.376 -5.160 -0.699) 5.221 1.796 ( 0.376 5.160 -0.699) 5.221 1.826 ( 1.179 -3.023 -2.868) 4.331 1.826 ( 1.179 3.023 -2.868) 4.331 1.926 ( 2.988 -2.387 -4.435) 5.856 1.926 ( 2.988 2.387 -4.435) 5.856 2.085 ( 1.729 -0.503 1.442) 2.307 2.085 ( 1.729 0.503 1.442) 2.307 2.210 ( -1.480 -0.882 0.406) 1.770 2.210 ( -1.480 0.882 0.406) 1.770 2.353 ( -5.607 -2.445 -1.074) 6.210 2.353 ( -5.607 2.445 -1.074) 6.210 2.449 ( 2.417 -0.660 0.657) 2.590 2.449 ( 2.417 0.660 0.657) 2.590 2.588 ( 2.198 -0.761 3.879) 4.523 2.588 ( 2.198 0.761 3.879) 4.523 2.729 ( -3.253 -0.586 -1.506) 3.632 2.729 ( -3.253 0.586 -1.506) 3.632 2.775 ( -1.865 -2.731 -0.842) 3.413 2.775 ( -1.865 2.731 -0.842) 3.413 2.942 ( -2.879 -1.022 -0.782) 3.154 2.942 ( -2.879 1.022 -0.782) 3.154 3.046 ( 2.672 -2.072 1.101) 3.556 3.046 ( 2.672 2.072 1.101) 3.556 3.145 ( 1.910 -3.017 0.162) 3.574 3.145 ( 1.910 3.017 0.162) 3.574 3.207 ( 2.618 -0.991 -0.430) 2.832 3.207 ( 2.618 0.991 -0.430) 2.832 3.427 ( 0.973 -3.710 2.917) 4.819 3.427 ( 0.973 3.710 2.917) 4.819 3.474 ( 0.646 -4.568 -1.482) 4.846 3.474 ( 0.646 4.568 -1.482) 4.846 3.610 ( -1.053 -2.483 2.357) 3.582 3.610 ( -1.053 2.483 2.357) 3.582 3.667 ( -4.011 -2.239 -0.639) 4.638 3.667 ( -4.011 2.239 -0.639) 4.638 3.940 ( -1.075 -1.606 1.054) 2.201 3.940 ( -1.075 1.606 1.054) 2.202 4.077 ( 0.535 -7.660 -1.837) 7.896 4.077 ( 0.535 7.660 -1.837) 7.896 10.311 ( 1.080 -0.328 -0.009) 1.129 10.311 ( 1.080 0.328 -0.009) 1.129 10.344 ( 2.030 -0.165 -0.343) 2.065 10.344 ( 2.030 0.165 -0.343) 2.065 10.531 ( -0.659 -0.799 1.712) 2.001 10.531 ( -0.659 0.799 1.712) 2.001 10.651 ( -1.121 -1.132 -1.524) 2.204 10.651 ( -1.121 1.132 -1.524) 2.204 14.744 ( -0.679 -0.961 0.475) 1.269 14.744 ( -0.679 0.961 0.475) 1.269 14.756 ( -0.458 -1.034 -0.704) 1.332 14.756 ( -0.458 1.034 -0.704) 1.332 14.971 ( 0.888 -0.208 0.113) 0.919 14.971 ( 0.888 0.208 0.113) 0.919 15.080 ( -0.759 -0.061 0.308) 0.822 15.080 ( -0.759 0.061 0.308) 0.822 15.218 ( -0.887 -0.619 -0.728) 1.304 15.218 ( -0.887 0.619 -0.728) 1.304 15.352 ( -3.197 -0.495 0.748) 3.320 15.352 ( -3.197 0.495 0.748) 3.320 19.578 ( 7.579 -0.814 -0.044) 7.622 19.578 ( 7.579 0.814 -0.044) 7.622 19.807 ( 3.284 -1.397 -0.014) 3.568 19.807 ( 3.284 1.397 -0.014) 3.568 28.789 ( 0.213 -1.444 0.529) 1.553 28.789 ( 0.213 1.444 0.529) 1.553 28.799 ( 0.065 -1.366 -0.477) 1.448 28.799 ( 0.065 1.366 -0.477) 1.448 33.352 ( 1.133 -1.301 -0.822) 1.911 33.352 ( 1.133 1.301 -0.822) 1.911 33.494 ( -0.726 -1.048 0.661) 1.436 33.494 ( -0.726 1.048 0.661) 1.436 33.934 ( 4.973 -0.160 0.292) 4.985 33.934 ( 4.973 0.160 0.292) 4.985 34.891 ( -9.081 -1.570 -0.175) 9.217 34.891 ( -9.081 1.570 -0.175) 9.217 ======================= Grid point 158 (59/60) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 18.918 -1.065 0.100) 18.948 1.303 ( 18.918 1.065 0.100) 18.948 1.635 ( 3.256 -2.395 4.295) 5.898 1.635 ( 3.256 2.395 4.295) 5.898 1.707 ( 1.212 -2.048 -3.592) 4.309 1.707 ( 1.212 2.048 -3.592) 4.309 1.782 ( -1.053 -3.010 -0.966) 3.332 1.782 ( -1.053 3.010 -0.966) 3.332 1.817 ( 1.152 -3.405 -1.452) 3.877 1.817 ( 1.152 3.405 -1.452) 3.877 1.870 ( 1.801 -1.413 -2.417) 3.329 1.870 ( 1.801 1.413 -2.417) 3.329 1.996 ( 2.639 -2.078 -2.207) 4.019 1.996 ( 2.639 2.078 -2.207) 4.019 2.065 ( -3.187 -0.741 1.730) 3.701 2.065 ( -3.187 0.741 1.730) 3.701 2.152 ( -4.287 -2.186 0.215) 4.816 2.152 ( -4.287 2.186 0.215) 4.816 2.198 ( -6.831 -3.969 -3.775) 8.755 2.198 ( -6.831 3.969 -3.775) 8.755 2.565 ( 5.242 -0.291 4.199) 6.723 2.565 ( 5.242 0.291 4.199) 6.723 2.619 ( 1.878 -0.753 5.541) 5.899 2.619 ( 1.878 0.753 5.541) 5.899 2.712 ( 1.800 -1.634 -3.107) 3.945 2.712 ( 1.800 1.634 -3.107) 3.945 2.761 ( 0.643 -2.491 -3.289) 4.176 2.761 ( 0.643 2.491 -3.289) 4.176 2.888 ( -1.411 -1.202 -1.082) 2.146 2.888 ( -1.411 1.202 -1.082) 2.146 3.059 ( -2.040 -1.679 0.685) 2.729 3.059 ( -2.040 1.679 0.685) 2.729 3.194 ( 2.770 -1.151 1.197) 3.230 3.194 ( 2.770 1.151 1.197) 3.230 3.252 ( 1.173 -0.971 -0.265) 1.546 3.252 ( 1.173 0.971 -0.265) 1.546 3.436 ( -0.300 -1.321 2.171) 2.559 3.436 ( -0.300 1.321 2.171) 2.559 3.468 ( -1.629 -2.693 -0.714) 3.228 3.468 ( -1.629 2.693 -0.714) 3.228 3.582 ( -0.113 -2.924 2.147) 3.630 3.582 ( -0.113 2.924 2.147) 3.630 3.624 ( -0.482 -1.078 -1.016) 1.558 3.624 ( -0.482 1.078 -1.016) 1.558 3.924 ( 0.280 -1.255 0.152) 1.295 3.924 ( 0.280 1.255 0.152) 1.295 4.053 ( -2.991 -5.017 -1.012) 5.928 4.053 ( -2.991 5.017 -1.012) 5.928 10.342 ( 1.717 -0.339 0.005) 1.750 10.342 ( 1.717 0.339 0.005) 1.750 10.385 ( 1.124 -0.156 0.275) 1.167 10.385 ( 1.124 0.156 0.275) 1.167 10.525 ( 0.591 -0.538 0.464) 0.925 10.525 ( 0.591 0.538 0.464) 0.925 10.616 ( -2.188 -0.534 -0.891) 2.422 10.616 ( -2.188 0.534 -0.891) 2.422 14.730 ( -0.425 -1.150 0.362) 1.279 14.730 ( -0.425 1.150 0.362) 1.279 14.744 ( -0.689 -1.191 -0.431) 1.442 14.744 ( -0.689 1.191 -0.431) 1.442 14.995 ( 1.395 -0.255 0.181) 1.430 14.995 ( 1.395 0.255 0.181) 1.430 15.058 ( -1.284 -0.068 0.246) 1.309 15.058 ( -1.284 0.068 0.246) 1.309 15.205 ( -0.052 -0.701 -0.487) 0.855 15.205 ( -0.052 0.701 -0.487) 0.855 15.278 ( -3.366 -0.693 0.334) 3.453 15.278 ( -3.366 0.693 0.334) 3.453 19.755 ( 7.933 -0.396 -0.156) 7.944 19.755 ( 7.933 0.396 -0.156) 7.944 19.874 ( 2.271 -1.152 -0.031) 2.546 19.874 ( 2.271 1.152 -0.031) 2.546 28.794 ( 0.272 -1.281 0.304) 1.344 28.794 ( 0.272 1.281 0.304) 1.344 28.800 ( 0.023 -1.217 -0.316) 1.257 28.800 ( 0.023 1.217 -0.316) 1.257 33.385 ( 1.914 -1.301 -0.545) 2.377 33.385 ( 1.914 1.301 -0.545) 2.377 33.469 ( -1.616 -1.131 0.324) 1.999 33.469 ( -1.616 1.131 0.324) 1.999 34.092 ( 9.964 -0.325 0.308) 9.974 34.092 ( 9.964 0.325 0.308) 9.974 34.640 ( -13.860 -0.899 0.048) 13.890 34.640 ( -13.860 0.899 0.048) 13.890 ======================= Grid point 160 (60/60) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( -8.970 -2.266 1.888) 9.442 1.632 ( -7.937 0.875 1.888) 8.205 1.632 ( 7.937 -0.875 1.888) 8.205 1.632 ( 8.970 2.266 1.888) 9.442 1.720 ( -1.622 -3.414 -1.825) 4.197 1.720 ( 1.619 -3.413 -1.825) 4.196 1.720 ( -1.619 3.413 -1.825) 4.196 1.720 ( 1.622 3.414 -1.825) 4.197 1.855 ( -1.340 -5.758 -1.667) 6.143 1.855 ( 0.496 -5.725 -1.667) 5.983 1.855 ( -0.496 5.725 -1.667) 5.983 1.855 ( 1.340 5.758 -1.667) 6.143 2.016 ( -0.761 -5.790 0.752) 5.888 2.016 ( 0.711 -5.789 0.752) 5.881 2.016 ( -0.711 5.789 0.752) 5.881 2.016 ( 0.761 5.790 0.752) 5.888 2.112 ( -1.740 -1.484 -3.073) 3.830 2.112 ( 1.211 -1.346 -3.073) 3.567 2.112 ( -1.211 1.346 -3.073) 3.567 2.112 ( 1.740 1.484 -3.073) 3.830 2.627 ( -1.657 -0.994 4.319) 4.731 2.627 ( 0.845 -0.694 4.319) 4.455 2.627 ( -0.845 0.694 4.319) 4.455 2.627 ( 1.657 0.994 4.319) 4.731 2.759 ( -1.654 -1.961 -2.277) 3.430 2.759 ( 0.073 -1.779 -2.277) 2.890 2.759 ( -0.073 1.779 -2.277) 2.890 2.759 ( 1.654 1.961 -2.277) 3.430 2.958 ( -5.046 -4.296 -0.383) 6.638 2.958 ( -2.345 -3.669 -0.383) 4.371 2.958 ( 2.345 3.669 -0.383) 4.371 2.958 ( 5.046 4.296 -0.383) 6.638 3.247 ( -1.602 -1.110 0.532) 2.020 3.247 ( 0.372 -0.791 0.532) 1.024 3.247 ( -0.372 0.791 0.532) 1.024 3.247 ( 1.602 1.110 0.532) 2.020 3.433 ( -0.728 -2.773 0.393) 2.894 3.433 ( 0.711 -2.772 0.393) 2.889 3.433 ( -0.711 2.772 0.393) 2.889 3.433 ( 0.728 2.773 0.393) 2.894 3.607 ( -1.308 -2.486 0.653) 2.884 3.607 ( 1.067 -2.457 0.653) 2.757 3.607 ( -1.067 2.457 0.653) 2.757 3.607 ( 1.308 2.486 0.653) 2.884 3.971 ( -3.036 -4.100 -0.464) 5.123 3.971 ( 0.502 -3.817 -0.464) 3.878 3.971 ( -0.502 3.817 -0.464) 3.878 3.971 ( 3.036 4.100 -0.464) 5.123 10.378 ( -0.977 -0.991 0.315) 1.427 10.378 ( -0.539 -0.904 0.315) 1.098 10.378 ( 0.539 0.904 0.315) 1.098 10.378 ( 0.977 0.991 0.315) 1.427 10.563 ( -2.462 -0.307 -0.382) 2.511 10.563 ( -2.385 -0.036 -0.382) 2.416 10.563 ( 2.385 0.036 -0.382) 2.416 10.563 ( 2.462 0.307 -0.382) 2.511 14.730 ( -0.330 -1.796 0.008) 1.826 14.730 ( 0.272 -1.793 0.008) 1.814 14.730 ( -0.272 1.793 0.008) 1.814 14.730 ( 0.330 1.796 0.008) 1.826 15.027 ( -1.412 -0.359 0.212) 1.472 15.027 ( -1.248 -0.141 0.212) 1.273 15.027 ( 1.248 0.141 0.212) 1.273 15.027 ( 1.412 0.359 0.212) 1.472 15.223 ( -1.645 -0.903 -0.126) 1.880 15.223 ( -0.389 -0.420 -0.126) 0.586 15.223 ( 0.389 0.420 -0.126) 0.586 15.223 ( 1.645 0.903 -0.126) 1.880 19.873 ( -2.656 -1.152 -0.117) 2.897 19.873 ( -1.433 -0.275 -0.117) 1.464 19.873 ( 1.433 0.275 -0.117) 1.464 19.873 ( 2.656 1.152 -0.117) 2.897 28.799 ( -0.156 -1.151 -0.022) 1.162 28.799 ( 0.156 -1.151 -0.022) 1.162 28.799 ( -0.156 1.151 -0.022) 1.162 28.799 ( 0.156 1.151 -0.022) 1.162 33.429 ( -2.098 -1.233 -0.122) 2.437 33.429 ( 2.000 -1.192 -0.122) 2.332 33.429 ( -2.000 1.192 -0.122) 2.332 33.429 ( 2.098 1.233 -0.122) 2.437 34.344 ( -13.536 -0.562 0.229) 13.550 34.344 ( -13.519 0.449 0.229) 13.528 34.344 ( 13.519 -0.449 0.229) 13.528 34.344 ( 13.536 0.562 0.229) 13.550 =================== 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 3/20160 10.0 40.862 36.067 39.721 0.000 0.000 -0.000 3/20160 20.0 7.905 6.868 6.773 0.000 0.000 -0.000 3/20160 30.0 3.500 3.270 2.954 0.000 0.000 -0.000 3/20160 40.0 2.193 2.171 1.853 0.000 0.000 -0.000 3/20160 50.0 1.611 1.661 1.367 0.000 0.000 -0.000 3/20160 60.0 1.286 1.365 1.095 0.000 0.000 -0.000 3/20160 70.0 1.081 1.170 0.922 0.000 0.000 -0.000 3/20160 80.0 0.942 1.033 0.803 0.000 0.000 -0.000 3/20160 90.0 0.846 0.934 0.716 0.000 0.000 -0.000 3/20160 100.0 0.780 0.861 0.652 0.000 0.000 -0.000 3/20160 110.0 0.737 0.808 0.604 0.000 0.000 -0.000 3/20160 120.0 0.713 0.771 0.569 0.000 0.000 -0.000 3/20160 130.0 0.703 0.746 0.543 0.000 0.000 -0.000 3/20160 140.0 0.705 0.731 0.524 0.000 0.000 -0.000 3/20160 150.0 0.714 0.724 0.510 0.000 0.000 -0.000 3/20160 160.0 0.730 0.721 0.501 0.000 0.000 -0.000 3/20160 170.0 0.749 0.722 0.495 0.000 0.000 -0.000 3/20160 180.0 0.770 0.726 0.490 0.000 0.000 -0.000 3/20160 190.0 0.791 0.731 0.488 0.000 0.000 -0.000 3/20160 200.0 0.812 0.736 0.486 0.000 0.000 -0.000 3/20160 210.0 0.832 0.741 0.484 0.000 0.000 -0.000 3/20160 220.0 0.850 0.746 0.483 0.000 0.000 -0.000 3/20160 230.0 0.867 0.750 0.482 0.000 0.000 -0.000 3/20160 240.0 0.882 0.754 0.481 0.000 0.000 -0.000 3/20160 250.0 0.894 0.756 0.480 0.000 0.000 -0.000 3/20160 260.0 0.905 0.758 0.478 0.000 0.000 -0.000 3/20160 270.0 0.915 0.759 0.476 0.000 0.000 -0.000 3/20160 280.0 0.923 0.759 0.474 0.000 0.000 -0.000 3/20160 290.0 0.929 0.758 0.472 0.000 0.000 -0.000 3/20160 300.0 0.934 0.757 0.469 0.000 0.000 -0.000 3/20160 310.0 0.937 0.755 0.467 0.000 0.000 -0.000 3/20160 320.0 0.940 0.753 0.464 0.000 0.000 -0.000 3/20160 330.0 0.941 0.750 0.461 0.000 0.000 -0.000 3/20160 340.0 0.942 0.746 0.457 0.000 0.000 -0.000 3/20160 350.0 0.942 0.742 0.454 0.000 0.000 -0.000 3/20160 360.0 0.941 0.738 0.450 0.000 0.000 -0.000 3/20160 370.0 0.939 0.734 0.447 0.000 0.000 -0.000 3/20160 380.0 0.937 0.729 0.443 0.000 0.000 -0.000 3/20160 390.0 0.934 0.724 0.439 0.000 0.000 -0.000 3/20160 400.0 0.931 0.719 0.435 0.000 0.000 -0.000 3/20160 410.0 0.927 0.713 0.431 0.000 0.000 -0.000 3/20160 420.0 0.923 0.708 0.427 0.000 0.000 -0.000 3/20160 430.0 0.918 0.702 0.423 0.000 0.000 -0.000 3/20160 440.0 0.913 0.697 0.419 0.000 0.000 -0.000 3/20160 450.0 0.908 0.691 0.415 0.000 0.000 -0.000 3/20160 460.0 0.903 0.685 0.411 0.000 0.000 -0.000 3/20160 470.0 0.897 0.679 0.407 0.000 0.000 -0.000 3/20160 480.0 0.892 0.673 0.403 0.000 0.000 -0.000 3/20160 490.0 0.886 0.667 0.399 0.000 0.000 -0.000 3/20160 500.0 0.880 0.661 0.395 0.000 0.000 -0.000 3/20160 510.0 0.874 0.655 0.391 0.000 0.000 -0.000 3/20160 520.0 0.868 0.649 0.387 0.000 0.000 -0.000 3/20160 530.0 0.861 0.644 0.383 0.000 0.000 -0.000 3/20160 540.0 0.855 0.638 0.379 0.000 0.000 -0.000 3/20160 550.0 0.849 0.632 0.376 0.000 0.000 -0.000 3/20160 560.0 0.842 0.626 0.372 0.000 0.000 -0.000 3/20160 570.0 0.836 0.620 0.368 0.000 0.000 -0.000 3/20160 580.0 0.829 0.614 0.364 0.000 0.000 -0.000 3/20160 590.0 0.823 0.609 0.361 0.000 0.000 -0.000 3/20160 600.0 0.816 0.603 0.357 0.000 0.000 -0.000 3/20160 610.0 0.810 0.597 0.354 0.000 0.000 -0.000 3/20160 620.0 0.803 0.592 0.350 0.000 0.000 -0.000 3/20160 630.0 0.797 0.586 0.347 0.000 0.000 -0.000 3/20160 640.0 0.790 0.581 0.343 0.000 0.000 -0.000 3/20160 650.0 0.784 0.576 0.340 0.000 0.000 -0.000 3/20160 660.0 0.778 0.570 0.336 0.000 0.000 -0.000 3/20160 670.0 0.771 0.565 0.333 0.000 0.000 -0.000 3/20160 680.0 0.765 0.560 0.330 0.000 0.000 -0.000 3/20160 690.0 0.759 0.555 0.327 0.000 0.000 -0.000 3/20160 700.0 0.752 0.550 0.324 0.000 0.000 -0.000 3/20160 710.0 0.746 0.545 0.320 0.000 0.000 -0.000 3/20160 720.0 0.740 0.540 0.317 0.000 0.000 -0.000 3/20160 730.0 0.734 0.535 0.314 0.000 0.000 -0.000 3/20160 740.0 0.728 0.530 0.311 0.000 0.000 -0.000 3/20160 750.0 0.722 0.525 0.309 0.000 0.000 -0.000 3/20160 760.0 0.716 0.521 0.306 0.000 0.000 -0.000 3/20160 770.0 0.711 0.516 0.303 0.000 0.000 -0.000 3/20160 780.0 0.705 0.511 0.300 0.000 0.000 -0.000 3/20160 790.0 0.699 0.507 0.297 0.000 0.000 -0.000 3/20160 800.0 0.693 0.503 0.295 0.000 0.000 -0.000 3/20160 810.0 0.688 0.498 0.292 0.000 0.000 -0.000 3/20160 820.0 0.682 0.494 0.289 0.000 0.000 -0.000 3/20160 830.0 0.677 0.490 0.287 0.000 0.000 -0.000 3/20160 840.0 0.672 0.485 0.284 0.000 0.000 -0.000 3/20160 850.0 0.666 0.481 0.282 0.000 0.000 -0.000 3/20160 860.0 0.661 0.477 0.279 0.000 0.000 -0.000 3/20160 870.0 0.656 0.473 0.277 0.000 0.000 -0.000 3/20160 880.0 0.651 0.469 0.274 0.000 0.000 -0.000 3/20160 890.0 0.646 0.465 0.272 0.000 0.000 -0.000 3/20160 900.0 0.640 0.462 0.270 0.000 0.000 -0.000 3/20160 910.0 0.636 0.458 0.267 0.000 0.000 -0.000 3/20160 920.0 0.631 0.454 0.265 0.000 0.000 -0.000 3/20160 930.0 0.626 0.450 0.263 0.000 0.000 -0.000 3/20160 940.0 0.621 0.447 0.261 0.000 0.000 -0.000 3/20160 950.0 0.616 0.443 0.259 0.000 0.000 -0.000 3/20160 960.0 0.612 0.440 0.256 0.000 0.000 -0.000 3/20160 970.0 0.607 0.436 0.254 0.000 0.000 -0.000 3/20160 980.0 0.602 0.433 0.252 0.000 0.000 -0.000 3/20160 990.0 0.598 0.429 0.250 0.000 0.000 -0.000 3/20160 1000.0 0.594 0.426 0.248 0.000 0.000 -0.000 3/20160 Thermal conductivity related properties were written into "kappa-m685.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:26:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|