----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:26:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454801070106794 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690893750000002 0.000000000000000 c -5.488138535377465 0.000000000000000 16.987146160821105 Atomic positions (fractional): *1 Rb 0.27590144011718 0.75432919793429 0.03361619547135 85.468 2 Rb 0.27590144011718 0.74567080206571 0.53361619547135 85.468 3 Rb 0.72409855988282 0.25432919793429 0.46638380452865 85.468 4 Rb 0.72409855988282 0.24567080206571 0.96638380452865 85.468 *5 Si 0.79163807868079 0.73182171136954 0.83828882457899 28.085 6 Si 0.79163807868079 0.76817828863046 0.33828882457899 28.085 7 Si 0.20836192131921 0.23182171136954 0.66171117542101 28.085 8 Si 0.20836192131921 0.26817828863046 0.16171117542101 28.085 *9 Bi 0.76308505989564 0.21473044605989 0.22403065339542 208.980 10 Bi 0.23691494010436 0.78526955394011 0.77596934660458 208.980 11 Bi 0.76308505989564 0.28526955394011 0.72403065339542 208.980 12 Bi 0.23691494010436 0.71473044605989 0.27596934660458 208.980 *13 S 0.01339177321433 0.49459479865074 0.64741313420558 32.065 *14 S 0.59152908821059 0.81774966312122 0.21930934717761 32.065 15 S 0.98660822678567 0.50540520134926 0.35258686579442 32.065 16 S 0.98660822678567 0.99459479865074 0.85258686579442 32.065 17 S 0.59152908821059 0.68225033687878 0.71930934717761 32.065 *18 S 0.59106537043614 0.74073129640509 0.91222489138250 32.065 19 S 0.40893462956386 0.25926870359491 0.08777510861750 32.065 20 S 0.40847091178941 0.18225033687878 0.78069065282239 32.065 21 S 0.40893462956386 0.24073129640509 0.58777510861750 32.065 22 S 0.59106537043614 0.75926870359491 0.41222489138250 32.065 *23 S 0.02322884780207 0.49637464972934 0.86179120760896 32.065 24 S 0.97677115219793 0.99637464972934 0.63820879239104 32.065 25 S 0.97677115219793 0.50362535027066 0.13820879239104 32.065 26 S 0.01339177321433 0.00540520134926 0.14741313420558 32.065 27 S 0.02322884780207 0.00362535027066 0.36179120760896 32.065 28 S 0.40847091178941 0.31774966312122 0.28069065282239 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.454801070106794 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690893750000002 0.000000000000000 c -5.488138535377465 0.000000000000000 16.987146160821105 Atomic positions (fractional): *1 Rb 0.27590144011718 0.75432919793429 0.03361619547135 85.468 > 1 2 Rb 0.27590144011718 0.74567080206571 0.53361619547135 85.468 > 2 3 Rb 0.72409855988282 0.25432919793429 0.46638380452865 85.468 > 3 4 Rb 0.72409855988282 0.24567080206571 0.96638380452865 85.468 > 4 *5 Si 0.79163807868079 0.73182171136954 0.83828882457899 28.085 > 5 6 Si 0.79163807868079 0.76817828863046 0.33828882457899 28.085 > 6 7 Si 0.20836192131921 0.23182171136954 0.66171117542101 28.085 > 7 8 Si 0.20836192131921 0.26817828863046 0.16171117542101 28.085 > 8 *9 Bi 0.76308505989564 0.21473044605989 0.22403065339542 208.980 > 9 10 Bi 0.23691494010436 0.78526955394011 0.77596934660458 208.980 > 10 11 Bi 0.76308505989564 0.28526955394011 0.72403065339542 208.980 > 11 12 Bi 0.23691494010436 0.71473044605989 0.27596934660458 208.980 > 12 *13 S 0.01339177321433 0.49459479865074 0.64741313420558 32.065 > 13 *14 S 0.59152908821059 0.81774966312122 0.21930934717761 32.065 > 14 15 S 0.98660822678567 0.50540520134926 0.35258686579442 32.065 > 15 16 S 0.98660822678567 0.99459479865074 0.85258686579442 32.065 > 16 17 S 0.59152908821059 0.68225033687878 0.71930934717761 32.065 > 17 *18 S 0.59106537043614 0.74073129640509 0.91222489138250 32.065 > 18 19 S 0.40893462956386 0.25926870359491 0.08777510861750 32.065 > 19 20 S 0.40847091178941 0.18225033687878 0.78069065282239 32.065 > 20 21 S 0.40893462956386 0.24073129640509 0.58777510861750 32.065 > 21 22 S 0.59106537043614 0.75926870359491 0.41222489138250 32.065 > 22 *23 S 0.02322884780207 0.49637464972934 0.86179120760896 32.065 > 23 24 S 0.97677115219793 0.99637464972934 0.63820879239104 32.065 > 24 25 S 0.97677115219793 0.50362535027066 0.13820879239104 32.065 > 25 26 S 0.01339177321433 0.00540520134926 0.14741313420558 32.065 > 26 27 S 0.02322884780207 0.00362535027066 0.36179120760896 32.065 > 27 28 S 0.40847091178941 0.31774966312122 0.28069065282239 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.909602140213588 0.000000000000000 0.000000000000000 b 0.000000000000000 13.381787500000003 0.000000000000000 c -5.488138535377465 0.000000000000000 16.987146160821105 Atomic positions (fractional): *1 Rb 0.13795072005859 0.37716459896715 0.03361619547135 85.468 > 1 2 Rb 0.63795072005859 0.37716459896715 0.03361619547135 85.468 > 1 3 Rb 0.13795072005859 0.87716459896715 0.03361619547135 85.468 > 1 4 Rb 0.63795072005859 0.87716459896715 0.03361619547135 85.468 > 1 5 Rb 0.13795072005859 0.37283540103285 0.53361619547135 85.468 > 2 6 Rb 0.63795072005859 0.37283540103285 0.53361619547135 85.468 > 2 7 Rb 0.13795072005859 0.87283540103285 0.53361619547135 85.468 > 2 8 Rb 0.63795072005859 0.87283540103285 0.53361619547135 85.468 > 2 9 Rb 0.36204927994141 0.12716459896715 0.46638380452865 85.468 > 3 10 Rb 0.86204927994141 0.12716459896715 0.46638380452865 85.468 > 3 11 Rb 0.36204927994141 0.62716459896715 0.46638380452865 85.468 > 3 12 Rb 0.86204927994141 0.62716459896715 0.46638380452865 85.468 > 3 13 Rb 0.36204927994141 0.12283540103285 0.96638380452865 85.468 > 4 14 Rb 0.86204927994141 0.12283540103285 0.96638380452865 85.468 > 4 15 Rb 0.36204927994141 0.62283540103285 0.96638380452865 85.468 > 4 16 Rb 0.86204927994141 0.62283540103285 0.96638380452865 85.468 > 4 *17 Si 0.39581903934039 0.36591085568477 0.83828882457899 28.085 > 5 18 Si 0.89581903934039 0.36591085568477 0.83828882457899 28.085 > 5 19 Si 0.39581903934039 0.86591085568477 0.83828882457899 28.085 > 5 20 Si 0.89581903934039 0.86591085568477 0.83828882457899 28.085 > 5 21 Si 0.39581903934039 0.38408914431523 0.33828882457899 28.085 > 6 22 Si 0.89581903934039 0.38408914431523 0.33828882457899 28.085 > 6 23 Si 0.39581903934039 0.88408914431523 0.33828882457899 28.085 > 6 24 Si 0.89581903934039 0.88408914431523 0.33828882457899 28.085 > 6 25 Si 0.10418096065961 0.11591085568477 0.66171117542101 28.085 > 7 26 Si 0.60418096065961 0.11591085568477 0.66171117542101 28.085 > 7 27 Si 0.10418096065961 0.61591085568477 0.66171117542101 28.085 > 7 28 Si 0.60418096065961 0.61591085568477 0.66171117542101 28.085 > 7 29 Si 0.10418096065961 0.13408914431523 0.16171117542101 28.085 > 8 30 Si 0.60418096065961 0.13408914431523 0.16171117542101 28.085 > 8 31 Si 0.10418096065961 0.63408914431523 0.16171117542101 28.085 > 8 32 Si 0.60418096065961 0.63408914431523 0.16171117542101 28.085 > 8 *33 Bi 0.38154252994782 0.10736522302994 0.22403065339542 208.980 > 9 34 Bi 0.88154252994782 0.10736522302994 0.22403065339542 208.980 > 9 35 Bi 0.38154252994782 0.60736522302994 0.22403065339542 208.980 > 9 36 Bi 0.88154252994782 0.60736522302994 0.22403065339542 208.980 > 9 37 Bi 0.11845747005218 0.39263477697006 0.77596934660458 208.980 > 10 38 Bi 0.61845747005218 0.39263477697006 0.77596934660458 208.980 > 10 39 Bi 0.11845747005218 0.89263477697006 0.77596934660458 208.980 > 10 40 Bi 0.61845747005218 0.89263477697006 0.77596934660458 208.980 > 10 41 Bi 0.38154252994782 0.14263477697006 0.72403065339542 208.980 > 11 42 Bi 0.88154252994782 0.14263477697006 0.72403065339542 208.980 > 11 43 Bi 0.38154252994782 0.64263477697006 0.72403065339542 208.980 > 11 44 Bi 0.88154252994782 0.64263477697006 0.72403065339542 208.980 > 11 45 Bi 0.11845747005218 0.35736522302994 0.27596934660458 208.980 > 12 46 Bi 0.61845747005218 0.35736522302994 0.27596934660458 208.980 > 12 47 Bi 0.11845747005218 0.85736522302994 0.27596934660458 208.980 > 12 48 Bi 0.61845747005218 0.85736522302994 0.27596934660458 208.980 > 12 *49 S 0.00669588660716 0.24729739932537 0.64741313420558 32.065 > 13 50 S 0.50669588660716 0.24729739932537 0.64741313420558 32.065 > 13 51 S 0.00669588660716 0.74729739932537 0.64741313420558 32.065 > 13 52 S 0.50669588660716 0.74729739932537 0.64741313420558 32.065 > 13 *53 S 0.29576454410530 0.40887483156061 0.21930934717761 32.065 > 14 54 S 0.79576454410530 0.40887483156061 0.21930934717761 32.065 > 14 55 S 0.29576454410530 0.90887483156061 0.21930934717761 32.065 > 14 56 S 0.79576454410530 0.90887483156061 0.21930934717761 32.065 > 14 57 S 0.49330411339284 0.25270260067463 0.35258686579442 32.065 > 15 58 S 0.99330411339284 0.25270260067463 0.35258686579442 32.065 > 15 59 S 0.49330411339284 0.75270260067463 0.35258686579442 32.065 > 15 60 S 0.99330411339284 0.75270260067463 0.35258686579442 32.065 > 15 61 S 0.49330411339284 0.49729739932537 0.85258686579442 32.065 > 16 62 S 0.99330411339284 0.49729739932537 0.85258686579442 32.065 > 16 63 S 0.49330411339284 0.99729739932537 0.85258686579442 32.065 > 16 64 S 0.99330411339284 0.99729739932537 0.85258686579442 32.065 > 16 65 S 0.29576454410530 0.34112516843939 0.71930934717761 32.065 > 17 66 S 0.79576454410530 0.34112516843939 0.71930934717761 32.065 > 17 67 S 0.29576454410530 0.84112516843939 0.71930934717761 32.065 > 17 68 S 0.79576454410530 0.84112516843939 0.71930934717761 32.065 > 17 *69 S 0.29553268521807 0.37036564820254 0.91222489138250 32.065 > 18 70 S 0.79553268521807 0.37036564820254 0.91222489138250 32.065 > 18 71 S 0.29553268521807 0.87036564820254 0.91222489138250 32.065 > 18 72 S 0.79553268521807 0.87036564820254 0.91222489138250 32.065 > 18 73 S 0.20446731478193 0.12963435179746 0.08777510861750 32.065 > 19 74 S 0.70446731478193 0.12963435179746 0.08777510861750 32.065 > 19 75 S 0.20446731478193 0.62963435179746 0.08777510861750 32.065 > 19 76 S 0.70446731478193 0.62963435179746 0.08777510861750 32.065 > 19 77 S 0.20423545589470 0.09112516843939 0.78069065282239 32.065 > 20 78 S 0.70423545589470 0.09112516843939 0.78069065282239 32.065 > 20 79 S 0.20423545589470 0.59112516843939 0.78069065282239 32.065 > 20 80 S 0.70423545589470 0.59112516843939 0.78069065282239 32.065 > 20 81 S 0.20446731478193 0.12036564820254 0.58777510861750 32.065 > 21 82 S 0.70446731478193 0.12036564820254 0.58777510861750 32.065 > 21 83 S 0.20446731478193 0.62036564820254 0.58777510861750 32.065 > 21 84 S 0.70446731478193 0.62036564820254 0.58777510861750 32.065 > 21 85 S 0.29553268521807 0.37963435179746 0.41222489138250 32.065 > 22 86 S 0.79553268521807 0.37963435179746 0.41222489138250 32.065 > 22 87 S 0.29553268521807 0.87963435179746 0.41222489138250 32.065 > 22 88 S 0.79553268521807 0.87963435179746 0.41222489138250 32.065 > 22 *89 S 0.01161442390104 0.24818732486467 0.86179120760896 32.065 > 23 90 S 0.51161442390104 0.24818732486467 0.86179120760896 32.065 > 23 91 S 0.01161442390104 0.74818732486467 0.86179120760896 32.065 > 23 92 S 0.51161442390104 0.74818732486467 0.86179120760896 32.065 > 23 93 S 0.48838557609896 0.49818732486467 0.63820879239104 32.065 > 24 94 S 0.98838557609896 0.49818732486467 0.63820879239104 32.065 > 24 95 S 0.48838557609896 0.99818732486467 0.63820879239104 32.065 > 24 96 S 0.98838557609896 0.99818732486467 0.63820879239104 32.065 > 24 97 S 0.48838557609896 0.25181267513533 0.13820879239104 32.065 > 25 98 S 0.98838557609896 0.25181267513533 0.13820879239104 32.065 > 25 99 S 0.48838557609896 0.75181267513533 0.13820879239104 32.065 > 25 100 S 0.98838557609896 0.75181267513533 0.13820879239104 32.065 > 25 101 S 0.00669588660716 0.00270260067463 0.14741313420558 32.065 > 26 102 S 0.50669588660716 0.00270260067463 0.14741313420558 32.065 > 26 103 S 0.00669588660716 0.50270260067463 0.14741313420558 32.065 > 26 104 S 0.50669588660716 0.50270260067463 0.14741313420558 32.065 > 26 105 S 0.01161442390104 0.00181267513533 0.36179120760896 32.065 > 27 106 S 0.51161442390104 0.00181267513533 0.36179120760896 32.065 > 27 107 S 0.01161442390104 0.50181267513533 0.36179120760896 32.065 > 27 108 S 0.51161442390104 0.50181267513533 0.36179120760896 32.065 > 27 109 S 0.20423545589470 0.15887483156061 0.28069065282239 32.065 > 28 110 S 0.70423545589470 0.15887483156061 0.28069065282239 32.065 > 28 111 S 0.20423545589470 0.65887483156061 0.28069065282239 32.065 > 28 112 S 0.70423545589470 0.65887483156061 0.28069065282239 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2642250 0.0000000 -0.0634645 0.0000000 6.9997589 0.0000000 -0.0634741 0.0000000 4.4095744 -------------------------- Born effective charges -------------------------- 1 Rb 1.1884915 -0.0202080 -0.1018881 0.0114472 1.2752311 0.0837597 -0.1003121 0.0323396 1.9480079 2 Rb 1.1884915 0.0202080 -0.1018881 -0.0114472 1.2752311 -0.0837597 -0.1003121 -0.0323396 1.9480079 3 Rb 1.1884915 0.0202080 -0.1018881 -0.0114472 1.2752311 -0.0837597 -0.1003121 -0.0323396 1.9480079 4 Rb 1.1884915 -0.0202080 -0.1018881 0.0114472 1.2752311 0.0837597 -0.1003121 0.0323396 1.9480079 5 Si 3.5149078 0.4581484 0.1310812 0.2365491 2.3056727 1.0948982 -0.4746330 0.0800994 0.8702992 6 Si 3.5149078 -0.4581484 0.1310812 -0.2365491 2.3056727 -1.0948982 -0.4746330 -0.0800994 0.8702992 7 Si 3.5149078 -0.4581484 0.1310812 -0.2365491 2.3056727 -1.0948982 -0.4746330 -0.0800994 0.8702992 8 Si 3.5149078 0.4581484 0.1310812 0.2365491 2.3056727 1.0948982 -0.4746330 0.0800994 0.8702992 9 Bi 5.9992842 0.4776886 0.0727546 -0.5941296 5.2807161 0.0413565 0.1607363 -0.3258725 2.4528494 10 Bi 5.9992842 0.4776886 0.0727546 -0.5941296 5.2807161 0.0413565 0.1607363 -0.3258725 2.4528494 11 Bi 5.9992842 -0.4776886 0.0727546 0.5941296 5.2807161 -0.0413565 0.1607363 0.3258725 2.4528494 12 Bi 5.9992842 -0.4776886 0.0727546 0.5941296 5.2807161 -0.0413565 0.1607363 0.3258725 2.4528494 13 S -2.6927354 -0.2202659 0.3788522 -0.3365650 -2.9096468 -0.2279872 0.2676338 -0.0791952 -1.0332659 14 S -2.9401425 -1.0333367 -0.1756842 -0.9460344 -2.3960174 0.7779769 0.0611042 0.2592664 -1.0939182 15 S -2.6927354 -0.2202659 0.3788522 -0.3365650 -2.9096468 -0.2279872 0.2676338 -0.0791952 -1.0332659 16 S -2.6927354 0.2202659 0.3788522 0.3365650 -2.9096468 0.2279872 0.2676338 0.0791952 -1.0332659 17 S -2.9401425 1.0333367 -0.1756842 0.9460344 -2.3960174 -0.7779769 0.0611042 -0.2592664 -1.0939182 18 S -2.8444370 0.0358960 -0.0849052 0.3466524 -0.9556675 0.1056277 0.0104519 0.0918083 -1.7650062 19 S -2.8444370 0.0358960 -0.0849052 0.3466524 -0.9556675 0.1056277 0.0104519 0.0918083 -1.7650062 20 S -2.9401425 -1.0333367 -0.1756842 -0.9460344 -2.3960174 0.7779769 0.0611042 0.2592664 -1.0939182 21 S -2.8444370 -0.0358960 -0.0849052 -0.3466524 -0.9556675 -0.1056277 0.0104519 -0.0918083 -1.7650062 22 S -2.8444370 -0.0358960 -0.0849052 -0.3466524 -0.9556675 -0.1056277 0.0104519 -0.0918083 -1.7650062 23 S -2.2253685 -0.3380882 -0.2202105 -0.5872106 -2.6002883 -0.4334881 0.0750188 -0.1602297 -1.3789661 24 S -2.2253685 0.3380882 -0.2202105 0.5872106 -2.6002883 0.4334881 0.0750188 0.1602297 -1.3789661 25 S -2.2253685 -0.3380882 -0.2202105 -0.5872106 -2.6002883 -0.4334881 0.0750188 -0.1602297 -1.3789661 26 S -2.6927354 0.2202659 0.3788522 0.3365650 -2.9096468 0.2279872 0.2676338 0.0791952 -1.0332659 27 S -2.2253685 0.3380882 -0.2202105 0.5872106 -2.6002883 0.4334881 0.0750188 0.1602297 -1.3789661 28 S -2.9401425 1.0333367 -0.1756842 0.9460344 -2.3960174 -0.7779769 0.0611042 -0.2592664 -1.0939182 ---------------------------------------------------------------------------- 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: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 880 - Time: 2.099 Solver_block: 200 / 880 - Time: 1.884 Solver_block: 300 / 880 - Time: 1.959 Solver_block: 400 / 880 - Time: 2.051 Solver_block: 500 / 880 - Time: 1.960 Solver_block: 600 / 880 - Time: 2.103 Solver_block: 700 / 880 - Time: 2.164 Solver_block: 800 / 880 - Time: 2.135 Solver_block: 880 / 880 - Time: 1.613 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 18.614 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:27:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:27:38]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454801070106794 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690893750000002 0.000000000000000 c -5.488138535377465 0.000000000000000 16.987146160821105 Atomic positions (fractional): 1 Rb 0.27590144011718 0.75432919793429 0.03361619547135 85.468 2 Rb 0.27590144011718 0.74567080206571 0.53361619547135 85.468 3 Rb 0.72409855988282 0.25432919793429 0.46638380452865 85.468 4 Rb 0.72409855988282 0.24567080206571 0.96638380452865 85.468 5 Si 0.79163807868079 0.73182171136954 0.83828882457899 28.085 6 Si 0.79163807868079 0.76817828863046 0.33828882457899 28.085 7 Si 0.20836192131921 0.23182171136954 0.66171117542101 28.085 8 Si 0.20836192131921 0.26817828863046 0.16171117542101 28.085 9 Bi 0.76308505989564 0.21473044605989 0.22403065339542 208.980 10 Bi 0.23691494010436 0.78526955394011 0.77596934660458 208.980 11 Bi 0.76308505989564 0.28526955394011 0.72403065339542 208.980 12 Bi 0.23691494010436 0.71473044605989 0.27596934660458 208.980 13 S 0.01339177321433 0.49459479865074 0.64741313420558 32.065 14 S 0.59152908821059 0.81774966312122 0.21930934717761 32.065 15 S 0.98660822678567 0.50540520134926 0.35258686579442 32.065 16 S 0.98660822678567 0.99459479865074 0.85258686579442 32.065 17 S 0.59152908821059 0.68225033687878 0.71930934717761 32.065 18 S 0.59106537043614 0.74073129640509 0.91222489138250 32.065 19 S 0.40893462956386 0.25926870359491 0.08777510861750 32.065 20 S 0.40847091178941 0.18225033687878 0.78069065282239 32.065 21 S 0.40893462956386 0.24073129640509 0.58777510861750 32.065 22 S 0.59106537043614 0.75926870359491 0.41222489138250 32.065 23 S 0.02322884780207 0.49637464972934 0.86179120760896 32.065 24 S 0.97677115219793 0.99637464972934 0.63820879239104 32.065 25 S 0.97677115219793 0.50362535027066 0.13820879239104 32.065 26 S 0.01339177321433 0.00540520134926 0.14741313420558 32.065 27 S 0.02322884780207 0.00362535027066 0.36179120760896 32.065 28 S 0.40847091178941 0.31774966312122 0.28069065282239 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.909602140213588 0.000000000000000 0.000000000000000 b 0.000000000000000 13.381787500000003 0.000000000000000 c -5.488138535377465 0.000000000000000 16.987146160821105 Atomic positions (fractional): 1 Rb 0.13795072005859 0.37716459896715 0.03361619547135 85.468 > 1 2 Rb 0.63795072005859 0.37716459896715 0.03361619547135 85.468 > 1 3 Rb 0.13795072005859 0.87716459896715 0.03361619547135 85.468 > 1 4 Rb 0.63795072005859 0.87716459896715 0.03361619547135 85.468 > 1 5 Rb 0.13795072005859 0.37283540103285 0.53361619547135 85.468 > 5 6 Rb 0.63795072005859 0.37283540103285 0.53361619547135 85.468 > 5 7 Rb 0.13795072005859 0.87283540103285 0.53361619547135 85.468 > 5 8 Rb 0.63795072005859 0.87283540103285 0.53361619547135 85.468 > 5 9 Rb 0.36204927994141 0.12716459896715 0.46638380452865 85.468 > 9 10 Rb 0.86204927994141 0.12716459896715 0.46638380452865 85.468 > 9 11 Rb 0.36204927994141 0.62716459896715 0.46638380452865 85.468 > 9 12 Rb 0.86204927994141 0.62716459896715 0.46638380452865 85.468 > 9 13 Rb 0.36204927994141 0.12283540103285 0.96638380452865 85.468 > 13 14 Rb 0.86204927994141 0.12283540103285 0.96638380452865 85.468 > 13 15 Rb 0.36204927994141 0.62283540103285 0.96638380452865 85.468 > 13 16 Rb 0.86204927994141 0.62283540103285 0.96638380452865 85.468 > 13 17 Si 0.39581903934039 0.36591085568477 0.83828882457899 28.085 > 17 18 Si 0.89581903934039 0.36591085568477 0.83828882457899 28.085 > 17 19 Si 0.39581903934039 0.86591085568477 0.83828882457899 28.085 > 17 20 Si 0.89581903934039 0.86591085568477 0.83828882457899 28.085 > 17 21 Si 0.39581903934039 0.38408914431523 0.33828882457899 28.085 > 21 22 Si 0.89581903934039 0.38408914431523 0.33828882457899 28.085 > 21 23 Si 0.39581903934039 0.88408914431523 0.33828882457899 28.085 > 21 24 Si 0.89581903934039 0.88408914431523 0.33828882457899 28.085 > 21 25 Si 0.10418096065961 0.11591085568477 0.66171117542101 28.085 > 25 26 Si 0.60418096065961 0.11591085568477 0.66171117542101 28.085 > 25 27 Si 0.10418096065961 0.61591085568477 0.66171117542101 28.085 > 25 28 Si 0.60418096065961 0.61591085568477 0.66171117542101 28.085 > 25 29 Si 0.10418096065961 0.13408914431523 0.16171117542101 28.085 > 29 30 Si 0.60418096065961 0.13408914431523 0.16171117542101 28.085 > 29 31 Si 0.10418096065961 0.63408914431523 0.16171117542101 28.085 > 29 32 Si 0.60418096065961 0.63408914431523 0.16171117542101 28.085 > 29 33 Bi 0.38154252994782 0.10736522302994 0.22403065339542 208.980 > 33 34 Bi 0.88154252994782 0.10736522302994 0.22403065339542 208.980 > 33 35 Bi 0.38154252994782 0.60736522302994 0.22403065339542 208.980 > 33 36 Bi 0.88154252994782 0.60736522302994 0.22403065339542 208.980 > 33 37 Bi 0.11845747005218 0.39263477697006 0.77596934660458 208.980 > 37 38 Bi 0.61845747005218 0.39263477697006 0.77596934660458 208.980 > 37 39 Bi 0.11845747005218 0.89263477697006 0.77596934660458 208.980 > 37 40 Bi 0.61845747005218 0.89263477697006 0.77596934660458 208.980 > 37 41 Bi 0.38154252994782 0.14263477697006 0.72403065339542 208.980 > 41 42 Bi 0.88154252994782 0.14263477697006 0.72403065339542 208.980 > 41 43 Bi 0.38154252994782 0.64263477697006 0.72403065339542 208.980 > 41 44 Bi 0.88154252994782 0.64263477697006 0.72403065339542 208.980 > 41 45 Bi 0.11845747005218 0.35736522302994 0.27596934660458 208.980 > 45 46 Bi 0.61845747005218 0.35736522302994 0.27596934660458 208.980 > 45 47 Bi 0.11845747005218 0.85736522302994 0.27596934660458 208.980 > 45 48 Bi 0.61845747005218 0.85736522302994 0.27596934660458 208.980 > 45 49 S 0.00669588660716 0.24729739932537 0.64741313420558 32.065 > 49 50 S 0.50669588660716 0.24729739932537 0.64741313420558 32.065 > 49 51 S 0.00669588660716 0.74729739932537 0.64741313420558 32.065 > 49 52 S 0.50669588660716 0.74729739932537 0.64741313420558 32.065 > 49 53 S 0.29576454410530 0.40887483156061 0.21930934717761 32.065 > 53 54 S 0.79576454410530 0.40887483156061 0.21930934717761 32.065 > 53 55 S 0.29576454410530 0.90887483156061 0.21930934717761 32.065 > 53 56 S 0.79576454410530 0.90887483156061 0.21930934717761 32.065 > 53 57 S 0.49330411339284 0.25270260067463 0.35258686579442 32.065 > 57 58 S 0.99330411339284 0.25270260067463 0.35258686579442 32.065 > 57 59 S 0.49330411339284 0.75270260067463 0.35258686579442 32.065 > 57 60 S 0.99330411339284 0.75270260067463 0.35258686579442 32.065 > 57 61 S 0.49330411339284 0.49729739932537 0.85258686579442 32.065 > 61 62 S 0.99330411339284 0.49729739932537 0.85258686579442 32.065 > 61 63 S 0.49330411339284 0.99729739932537 0.85258686579442 32.065 > 61 64 S 0.99330411339284 0.99729739932537 0.85258686579442 32.065 > 61 65 S 0.29576454410530 0.34112516843939 0.71930934717761 32.065 > 65 66 S 0.79576454410530 0.34112516843939 0.71930934717761 32.065 > 65 67 S 0.29576454410530 0.84112516843939 0.71930934717761 32.065 > 65 68 S 0.79576454410530 0.84112516843939 0.71930934717761 32.065 > 65 69 S 0.29553268521807 0.37036564820254 0.91222489138250 32.065 > 69 70 S 0.79553268521807 0.37036564820254 0.91222489138250 32.065 > 69 71 S 0.29553268521807 0.87036564820254 0.91222489138250 32.065 > 69 72 S 0.79553268521807 0.87036564820254 0.91222489138250 32.065 > 69 73 S 0.20446731478193 0.12963435179746 0.08777510861750 32.065 > 73 74 S 0.70446731478193 0.12963435179746 0.08777510861750 32.065 > 73 75 S 0.20446731478193 0.62963435179746 0.08777510861750 32.065 > 73 76 S 0.70446731478193 0.62963435179746 0.08777510861750 32.065 > 73 77 S 0.20423545589470 0.09112516843939 0.78069065282239 32.065 > 77 78 S 0.70423545589470 0.09112516843939 0.78069065282239 32.065 > 77 79 S 0.20423545589470 0.59112516843939 0.78069065282239 32.065 > 77 80 S 0.70423545589470 0.59112516843939 0.78069065282239 32.065 > 77 81 S 0.20446731478193 0.12036564820254 0.58777510861750 32.065 > 81 82 S 0.70446731478193 0.12036564820254 0.58777510861750 32.065 > 81 83 S 0.20446731478193 0.62036564820254 0.58777510861750 32.065 > 81 84 S 0.70446731478193 0.62036564820254 0.58777510861750 32.065 > 81 85 S 0.29553268521807 0.37963435179746 0.41222489138250 32.065 > 85 86 S 0.79553268521807 0.37963435179746 0.41222489138250 32.065 > 85 87 S 0.29553268521807 0.87963435179746 0.41222489138250 32.065 > 85 88 S 0.79553268521807 0.87963435179746 0.41222489138250 32.065 > 85 89 S 0.01161442390104 0.24818732486467 0.86179120760896 32.065 > 89 90 S 0.51161442390104 0.24818732486467 0.86179120760896 32.065 > 89 91 S 0.01161442390104 0.74818732486467 0.86179120760896 32.065 > 89 92 S 0.51161442390104 0.74818732486467 0.86179120760896 32.065 > 89 93 S 0.48838557609896 0.49818732486467 0.63820879239104 32.065 > 93 94 S 0.98838557609896 0.49818732486467 0.63820879239104 32.065 > 93 95 S 0.48838557609896 0.99818732486467 0.63820879239104 32.065 > 93 96 S 0.98838557609896 0.99818732486467 0.63820879239104 32.065 > 93 97 S 0.48838557609896 0.25181267513533 0.13820879239104 32.065 > 97 98 S 0.98838557609896 0.25181267513533 0.13820879239104 32.065 > 97 99 S 0.48838557609896 0.75181267513533 0.13820879239104 32.065 > 97 100 S 0.98838557609896 0.75181267513533 0.13820879239104 32.065 > 97 101 S 0.00669588660716 0.00270260067463 0.14741313420558 32.065 > 101 102 S 0.50669588660716 0.00270260067463 0.14741313420558 32.065 > 101 103 S 0.00669588660716 0.50270260067463 0.14741313420558 32.065 > 101 104 S 0.50669588660716 0.50270260067463 0.14741313420558 32.065 > 101 105 S 0.01161442390104 0.00181267513533 0.36179120760896 32.065 > 105 106 S 0.51161442390104 0.00181267513533 0.36179120760896 32.065 > 105 107 S 0.01161442390104 0.50181267513533 0.36179120760896 32.065 > 105 108 S 0.51161442390104 0.50181267513533 0.36179120760896 32.065 > 105 109 S 0.20423545589470 0.15887483156061 0.28069065282239 32.065 > 109 110 S 0.70423545589470 0.15887483156061 0.28069065282239 32.065 > 109 111 S 0.20423545589470 0.65887483156061 0.28069065282239 32.065 > 109 112 S 0.70423545589470 0.65887483156061 0.28069065282239 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.2642250 0.0000000 -0.0634645 0.0000000 6.9997589 0.0000000 -0.0634741 0.0000000 4.4095744 -------------------------- Born effective charges -------------------------- 1 Rb 1.1884915 -0.0202080 -0.1018881 0.0114472 1.2752311 0.0837597 -0.1003121 0.0323396 1.9480079 2 Rb 1.1884915 0.0202080 -0.1018881 -0.0114472 1.2752311 -0.0837597 -0.1003121 -0.0323396 1.9480079 3 Rb 1.1884915 0.0202080 -0.1018881 -0.0114472 1.2752311 -0.0837597 -0.1003121 -0.0323396 1.9480079 4 Rb 1.1884915 -0.0202080 -0.1018881 0.0114472 1.2752311 0.0837597 -0.1003121 0.0323396 1.9480079 5 Si 3.5149078 0.4581484 0.1310812 0.2365491 2.3056727 1.0948982 -0.4746330 0.0800994 0.8702992 6 Si 3.5149078 -0.4581484 0.1310812 -0.2365491 2.3056727 -1.0948982 -0.4746330 -0.0800994 0.8702992 7 Si 3.5149078 -0.4581484 0.1310812 -0.2365491 2.3056727 -1.0948982 -0.4746330 -0.0800994 0.8702992 8 Si 3.5149078 0.4581484 0.1310812 0.2365491 2.3056727 1.0948982 -0.4746330 0.0800994 0.8702992 9 Bi 5.9992842 0.4776886 0.0727546 -0.5941296 5.2807161 0.0413565 0.1607363 -0.3258725 2.4528494 10 Bi 5.9992842 0.4776886 0.0727546 -0.5941296 5.2807161 0.0413565 0.1607363 -0.3258725 2.4528494 11 Bi 5.9992842 -0.4776886 0.0727546 0.5941296 5.2807161 -0.0413565 0.1607363 0.3258725 2.4528494 12 Bi 5.9992842 -0.4776886 0.0727546 0.5941296 5.2807161 -0.0413565 0.1607363 0.3258725 2.4528494 13 S -2.6927354 -0.2202659 0.3788522 -0.3365650 -2.9096468 -0.2279872 0.2676338 -0.0791952 -1.0332659 14 S -2.9401425 -1.0333367 -0.1756842 -0.9460344 -2.3960174 0.7779769 0.0611042 0.2592664 -1.0939182 15 S -2.6927354 -0.2202659 0.3788522 -0.3365650 -2.9096468 -0.2279872 0.2676338 -0.0791952 -1.0332659 16 S -2.6927354 0.2202659 0.3788522 0.3365650 -2.9096468 0.2279872 0.2676338 0.0791952 -1.0332659 17 S -2.9401425 1.0333367 -0.1756842 0.9460344 -2.3960174 -0.7779769 0.0611042 -0.2592664 -1.0939182 18 S -2.8444370 0.0358960 -0.0849052 0.3466524 -0.9556675 0.1056277 0.0104519 0.0918083 -1.7650062 19 S -2.8444370 0.0358960 -0.0849052 0.3466524 -0.9556675 0.1056277 0.0104519 0.0918083 -1.7650062 20 S -2.9401425 -1.0333367 -0.1756842 -0.9460344 -2.3960174 0.7779769 0.0611042 0.2592664 -1.0939182 21 S -2.8444370 -0.0358960 -0.0849052 -0.3466524 -0.9556675 -0.1056277 0.0104519 -0.0918083 -1.7650062 22 S -2.8444370 -0.0358960 -0.0849052 -0.3466524 -0.9556675 -0.1056277 0.0104519 -0.0918083 -1.7650062 23 S -2.2253685 -0.3380882 -0.2202105 -0.5872106 -2.6002883 -0.4334881 0.0750188 -0.1602297 -1.3789661 24 S -2.2253685 0.3380882 -0.2202105 0.5872106 -2.6002883 0.4334881 0.0750188 0.1602297 -1.3789661 25 S -2.2253685 -0.3380882 -0.2202105 -0.5872106 -2.6002883 -0.4334881 0.0750188 -0.1602297 -1.3789661 26 S -2.6927354 0.2202659 0.3788522 0.3365650 -2.9096468 0.2279872 0.2676338 0.0791952 -1.0332659 27 S -2.2253685 0.3380882 -0.2202105 0.5872106 -2.6002883 0.4334881 0.0750188 0.1602297 -1.3789661 28 S -2.9401425 1.0333367 -0.1756842 0.9460344 -2.3960174 -0.7779769 0.0611042 -0.2592664 -1.0939182 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 53, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 89, 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:28:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:28:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454801070106794 0.000000000000000 0.000000000000000 b 0.000000000000000 6.690893750000002 0.000000000000000 c -5.488138535377465 0.000000000000000 16.987146160821105 Atomic positions (fractional): 1 Rb 0.27590144011718 0.75432919793429 0.03361619547135 85.468 2 Rb 0.27590144011718 0.74567080206571 0.53361619547135 85.468 3 Rb 0.72409855988282 0.25432919793429 0.46638380452865 85.468 4 Rb 0.72409855988282 0.24567080206571 0.96638380452865 85.468 5 Si 0.79163807868079 0.73182171136954 0.83828882457899 28.085 6 Si 0.79163807868079 0.76817828863046 0.33828882457899 28.085 7 Si 0.20836192131921 0.23182171136954 0.66171117542101 28.085 8 Si 0.20836192131921 0.26817828863046 0.16171117542101 28.085 9 Bi 0.76308505989564 0.21473044605989 0.22403065339542 208.980 10 Bi 0.23691494010436 0.78526955394011 0.77596934660458 208.980 11 Bi 0.76308505989564 0.28526955394011 0.72403065339542 208.980 12 Bi 0.23691494010436 0.71473044605989 0.27596934660458 208.980 13 S 0.01339177321433 0.49459479865074 0.64741313420558 32.065 14 S 0.59152908821059 0.81774966312122 0.21930934717761 32.065 15 S 0.98660822678567 0.50540520134926 0.35258686579442 32.065 16 S 0.98660822678567 0.99459479865074 0.85258686579442 32.065 17 S 0.59152908821059 0.68225033687878 0.71930934717761 32.065 18 S 0.59106537043614 0.74073129640509 0.91222489138250 32.065 19 S 0.40893462956386 0.25926870359491 0.08777510861750 32.065 20 S 0.40847091178941 0.18225033687878 0.78069065282239 32.065 21 S 0.40893462956386 0.24073129640509 0.58777510861750 32.065 22 S 0.59106537043614 0.75926870359491 0.41222489138250 32.065 23 S 0.02322884780207 0.49637464972934 0.86179120760896 32.065 24 S 0.97677115219793 0.99637464972934 0.63820879239104 32.065 25 S 0.97677115219793 0.50362535027066 0.13820879239104 32.065 26 S 0.01339177321433 0.00540520134926 0.14741313420558 32.065 27 S 0.02322884780207 0.00362535027066 0.36179120760896 32.065 28 S 0.40847091178941 0.31774966312122 0.28069065282239 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.909602140213588 0.000000000000000 0.000000000000000 b 0.000000000000000 13.381787500000003 0.000000000000000 c -5.488138535377465 0.000000000000000 16.987146160821105 Atomic positions (fractional): 1 Rb 0.13795072005859 0.37716459896715 0.03361619547135 85.468 > 1 2 Rb 0.63795072005859 0.37716459896715 0.03361619547135 85.468 > 1 3 Rb 0.13795072005859 0.87716459896715 0.03361619547135 85.468 > 1 4 Rb 0.63795072005859 0.87716459896715 0.03361619547135 85.468 > 1 5 Rb 0.13795072005859 0.37283540103285 0.53361619547135 85.468 > 5 6 Rb 0.63795072005859 0.37283540103285 0.53361619547135 85.468 > 5 7 Rb 0.13795072005859 0.87283540103285 0.53361619547135 85.468 > 5 8 Rb 0.63795072005859 0.87283540103285 0.53361619547135 85.468 > 5 9 Rb 0.36204927994141 0.12716459896715 0.46638380452865 85.468 > 9 10 Rb 0.86204927994141 0.12716459896715 0.46638380452865 85.468 > 9 11 Rb 0.36204927994141 0.62716459896715 0.46638380452865 85.468 > 9 12 Rb 0.86204927994141 0.62716459896715 0.46638380452865 85.468 > 9 13 Rb 0.36204927994141 0.12283540103285 0.96638380452865 85.468 > 13 14 Rb 0.86204927994141 0.12283540103285 0.96638380452865 85.468 > 13 15 Rb 0.36204927994141 0.62283540103285 0.96638380452865 85.468 > 13 16 Rb 0.86204927994141 0.62283540103285 0.96638380452865 85.468 > 13 17 Si 0.39581903934039 0.36591085568477 0.83828882457899 28.085 > 17 18 Si 0.89581903934039 0.36591085568477 0.83828882457899 28.085 > 17 19 Si 0.39581903934039 0.86591085568477 0.83828882457899 28.085 > 17 20 Si 0.89581903934039 0.86591085568477 0.83828882457899 28.085 > 17 21 Si 0.39581903934039 0.38408914431523 0.33828882457899 28.085 > 21 22 Si 0.89581903934039 0.38408914431523 0.33828882457899 28.085 > 21 23 Si 0.39581903934039 0.88408914431523 0.33828882457899 28.085 > 21 24 Si 0.89581903934039 0.88408914431523 0.33828882457899 28.085 > 21 25 Si 0.10418096065961 0.11591085568477 0.66171117542101 28.085 > 25 26 Si 0.60418096065961 0.11591085568477 0.66171117542101 28.085 > 25 27 Si 0.10418096065961 0.61591085568477 0.66171117542101 28.085 > 25 28 Si 0.60418096065961 0.61591085568477 0.66171117542101 28.085 > 25 29 Si 0.10418096065961 0.13408914431523 0.16171117542101 28.085 > 29 30 Si 0.60418096065961 0.13408914431523 0.16171117542101 28.085 > 29 31 Si 0.10418096065961 0.63408914431523 0.16171117542101 28.085 > 29 32 Si 0.60418096065961 0.63408914431523 0.16171117542101 28.085 > 29 33 Bi 0.38154252994782 0.10736522302994 0.22403065339542 208.980 > 33 34 Bi 0.88154252994782 0.10736522302994 0.22403065339542 208.980 > 33 35 Bi 0.38154252994782 0.60736522302994 0.22403065339542 208.980 > 33 36 Bi 0.88154252994782 0.60736522302994 0.22403065339542 208.980 > 33 37 Bi 0.11845747005218 0.39263477697006 0.77596934660458 208.980 > 37 38 Bi 0.61845747005218 0.39263477697006 0.77596934660458 208.980 > 37 39 Bi 0.11845747005218 0.89263477697006 0.77596934660458 208.980 > 37 40 Bi 0.61845747005218 0.89263477697006 0.77596934660458 208.980 > 37 41 Bi 0.38154252994782 0.14263477697006 0.72403065339542 208.980 > 41 42 Bi 0.88154252994782 0.14263477697006 0.72403065339542 208.980 > 41 43 Bi 0.38154252994782 0.64263477697006 0.72403065339542 208.980 > 41 44 Bi 0.88154252994782 0.64263477697006 0.72403065339542 208.980 > 41 45 Bi 0.11845747005218 0.35736522302994 0.27596934660458 208.980 > 45 46 Bi 0.61845747005218 0.35736522302994 0.27596934660458 208.980 > 45 47 Bi 0.11845747005218 0.85736522302994 0.27596934660458 208.980 > 45 48 Bi 0.61845747005218 0.85736522302994 0.27596934660458 208.980 > 45 49 S 0.00669588660716 0.24729739932537 0.64741313420558 32.065 > 49 50 S 0.50669588660716 0.24729739932537 0.64741313420558 32.065 > 49 51 S 0.00669588660716 0.74729739932537 0.64741313420558 32.065 > 49 52 S 0.50669588660716 0.74729739932537 0.64741313420558 32.065 > 49 53 S 0.29576454410530 0.40887483156061 0.21930934717761 32.065 > 53 54 S 0.79576454410530 0.40887483156061 0.21930934717761 32.065 > 53 55 S 0.29576454410530 0.90887483156061 0.21930934717761 32.065 > 53 56 S 0.79576454410530 0.90887483156061 0.21930934717761 32.065 > 53 57 S 0.49330411339284 0.25270260067463 0.35258686579442 32.065 > 57 58 S 0.99330411339284 0.25270260067463 0.35258686579442 32.065 > 57 59 S 0.49330411339284 0.75270260067463 0.35258686579442 32.065 > 57 60 S 0.99330411339284 0.75270260067463 0.35258686579442 32.065 > 57 61 S 0.49330411339284 0.49729739932537 0.85258686579442 32.065 > 61 62 S 0.99330411339284 0.49729739932537 0.85258686579442 32.065 > 61 63 S 0.49330411339284 0.99729739932537 0.85258686579442 32.065 > 61 64 S 0.99330411339284 0.99729739932537 0.85258686579442 32.065 > 61 65 S 0.29576454410530 0.34112516843939 0.71930934717761 32.065 > 65 66 S 0.79576454410530 0.34112516843939 0.71930934717761 32.065 > 65 67 S 0.29576454410530 0.84112516843939 0.71930934717761 32.065 > 65 68 S 0.79576454410530 0.84112516843939 0.71930934717761 32.065 > 65 69 S 0.29553268521807 0.37036564820254 0.91222489138250 32.065 > 69 70 S 0.79553268521807 0.37036564820254 0.91222489138250 32.065 > 69 71 S 0.29553268521807 0.87036564820254 0.91222489138250 32.065 > 69 72 S 0.79553268521807 0.87036564820254 0.91222489138250 32.065 > 69 73 S 0.20446731478193 0.12963435179746 0.08777510861750 32.065 > 73 74 S 0.70446731478193 0.12963435179746 0.08777510861750 32.065 > 73 75 S 0.20446731478193 0.62963435179746 0.08777510861750 32.065 > 73 76 S 0.70446731478193 0.62963435179746 0.08777510861750 32.065 > 73 77 S 0.20423545589470 0.09112516843939 0.78069065282239 32.065 > 77 78 S 0.70423545589470 0.09112516843939 0.78069065282239 32.065 > 77 79 S 0.20423545589470 0.59112516843939 0.78069065282239 32.065 > 77 80 S 0.70423545589470 0.59112516843939 0.78069065282239 32.065 > 77 81 S 0.20446731478193 0.12036564820254 0.58777510861750 32.065 > 81 82 S 0.70446731478193 0.12036564820254 0.58777510861750 32.065 > 81 83 S 0.20446731478193 0.62036564820254 0.58777510861750 32.065 > 81 84 S 0.70446731478193 0.62036564820254 0.58777510861750 32.065 > 81 85 S 0.29553268521807 0.37963435179746 0.41222489138250 32.065 > 85 86 S 0.79553268521807 0.37963435179746 0.41222489138250 32.065 > 85 87 S 0.29553268521807 0.87963435179746 0.41222489138250 32.065 > 85 88 S 0.79553268521807 0.87963435179746 0.41222489138250 32.065 > 85 89 S 0.01161442390104 0.24818732486467 0.86179120760896 32.065 > 89 90 S 0.51161442390104 0.24818732486467 0.86179120760896 32.065 > 89 91 S 0.01161442390104 0.74818732486467 0.86179120760896 32.065 > 89 92 S 0.51161442390104 0.74818732486467 0.86179120760896 32.065 > 89 93 S 0.48838557609896 0.49818732486467 0.63820879239104 32.065 > 93 94 S 0.98838557609896 0.49818732486467 0.63820879239104 32.065 > 93 95 S 0.48838557609896 0.99818732486467 0.63820879239104 32.065 > 93 96 S 0.98838557609896 0.99818732486467 0.63820879239104 32.065 > 93 97 S 0.48838557609896 0.25181267513533 0.13820879239104 32.065 > 97 98 S 0.98838557609896 0.25181267513533 0.13820879239104 32.065 > 97 99 S 0.48838557609896 0.75181267513533 0.13820879239104 32.065 > 97 100 S 0.98838557609896 0.75181267513533 0.13820879239104 32.065 > 97 101 S 0.00669588660716 0.00270260067463 0.14741313420558 32.065 > 101 102 S 0.50669588660716 0.00270260067463 0.14741313420558 32.065 > 101 103 S 0.00669588660716 0.50270260067463 0.14741313420558 32.065 > 101 104 S 0.50669588660716 0.50270260067463 0.14741313420558 32.065 > 101 105 S 0.01161442390104 0.00181267513533 0.36179120760896 32.065 > 105 106 S 0.51161442390104 0.00181267513533 0.36179120760896 32.065 > 105 107 S 0.01161442390104 0.50181267513533 0.36179120760896 32.065 > 105 108 S 0.51161442390104 0.50181267513533 0.36179120760896 32.065 > 105 109 S 0.20423545589470 0.15887483156061 0.28069065282239 32.065 > 109 110 S 0.70423545589470 0.15887483156061 0.28069065282239 32.065 > 109 111 S 0.20423545589470 0.65887483156061 0.28069065282239 32.065 > 109 112 S 0.70423545589470 0.65887483156061 0.28069065282239 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.2642250 0.0000000 -0.0634645 0.0000000 6.9997589 0.0000000 -0.0634741 0.0000000 4.4095744 -------------------------- Born effective charges -------------------------- 1 Rb 1.1884915 -0.0202080 -0.1018881 0.0114472 1.2752311 0.0837597 -0.1003121 0.0323396 1.9480079 2 Rb 1.1884915 0.0202080 -0.1018881 -0.0114472 1.2752311 -0.0837597 -0.1003121 -0.0323396 1.9480079 3 Rb 1.1884915 0.0202080 -0.1018881 -0.0114472 1.2752311 -0.0837597 -0.1003121 -0.0323396 1.9480079 4 Rb 1.1884915 -0.0202080 -0.1018881 0.0114472 1.2752311 0.0837597 -0.1003121 0.0323396 1.9480079 5 Si 3.5149078 0.4581484 0.1310812 0.2365491 2.3056727 1.0948982 -0.4746330 0.0800994 0.8702992 6 Si 3.5149078 -0.4581484 0.1310812 -0.2365491 2.3056727 -1.0948982 -0.4746330 -0.0800994 0.8702992 7 Si 3.5149078 -0.4581484 0.1310812 -0.2365491 2.3056727 -1.0948982 -0.4746330 -0.0800994 0.8702992 8 Si 3.5149078 0.4581484 0.1310812 0.2365491 2.3056727 1.0948982 -0.4746330 0.0800994 0.8702992 9 Bi 5.9992842 0.4776886 0.0727546 -0.5941296 5.2807161 0.0413565 0.1607363 -0.3258725 2.4528494 10 Bi 5.9992842 0.4776886 0.0727546 -0.5941296 5.2807161 0.0413565 0.1607363 -0.3258725 2.4528494 11 Bi 5.9992842 -0.4776886 0.0727546 0.5941296 5.2807161 -0.0413565 0.1607363 0.3258725 2.4528494 12 Bi 5.9992842 -0.4776886 0.0727546 0.5941296 5.2807161 -0.0413565 0.1607363 0.3258725 2.4528494 13 S -2.6927354 -0.2202659 0.3788522 -0.3365650 -2.9096468 -0.2279872 0.2676338 -0.0791952 -1.0332659 14 S -2.9401425 -1.0333367 -0.1756842 -0.9460344 -2.3960174 0.7779769 0.0611042 0.2592664 -1.0939182 15 S -2.6927354 -0.2202659 0.3788522 -0.3365650 -2.9096468 -0.2279872 0.2676338 -0.0791952 -1.0332659 16 S -2.6927354 0.2202659 0.3788522 0.3365650 -2.9096468 0.2279872 0.2676338 0.0791952 -1.0332659 17 S -2.9401425 1.0333367 -0.1756842 0.9460344 -2.3960174 -0.7779769 0.0611042 -0.2592664 -1.0939182 18 S -2.8444370 0.0358960 -0.0849052 0.3466524 -0.9556675 0.1056277 0.0104519 0.0918083 -1.7650062 19 S -2.8444370 0.0358960 -0.0849052 0.3466524 -0.9556675 0.1056277 0.0104519 0.0918083 -1.7650062 20 S -2.9401425 -1.0333367 -0.1756842 -0.9460344 -2.3960174 0.7779769 0.0611042 0.2592664 -1.0939182 21 S -2.8444370 -0.0358960 -0.0849052 -0.3466524 -0.9556675 -0.1056277 0.0104519 -0.0918083 -1.7650062 22 S -2.8444370 -0.0358960 -0.0849052 -0.3466524 -0.9556675 -0.1056277 0.0104519 -0.0918083 -1.7650062 23 S -2.2253685 -0.3380882 -0.2202105 -0.5872106 -2.6002883 -0.4334881 0.0750188 -0.1602297 -1.3789661 24 S -2.2253685 0.3380882 -0.2202105 0.5872106 -2.6002883 0.4334881 0.0750188 0.1602297 -1.3789661 25 S -2.2253685 -0.3380882 -0.2202105 -0.5872106 -2.6002883 -0.4334881 0.0750188 -0.1602297 -1.3789661 26 S -2.6927354 0.2202659 0.3788522 0.3365650 -2.9096468 0.2279872 0.2676338 0.0791952 -1.0332659 27 S -2.2253685 0.3380882 -0.2202105 0.5872106 -2.6002883 0.4334881 0.0750188 0.1602297 -1.3789661 28 S -2.9401425 1.0333367 -0.1756842 0.9460344 -2.3960174 -0.7779769 0.0611042 -0.2592664 -1.0939182 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 3 ] 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: 0.46, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/52) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 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 0.622 ( 0.000 0.000 0.000) 0.000 0.658 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.242 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.465 ( 0.000 0.000 0.000) 0.000 1.477 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.643 ( 0.000 0.000 0.000) 0.000 1.768 ( 0.000 0.000 0.000) 0.000 1.803 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.267 ( 0.000 0.000 0.000) 0.000 2.278 ( 0.000 0.000 0.000) 0.000 2.306 ( 0.000 0.000 0.000) 0.000 2.545 ( 0.000 0.000 0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.383 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.689 ( 0.000 0.000 0.000) 0.000 3.835 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.025 ( 0.000 0.000 0.000) 0.000 4.027 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.228 ( 0.000 0.000 0.000) 0.000 4.278 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 5.025 ( 0.000 0.000 0.000) 0.000 5.090 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.356 ( 0.000 0.000 0.000) 0.000 5.925 ( 0.000 0.000 0.000) 0.000 5.936 ( 0.000 0.000 0.000) 0.000 6.228 ( 0.000 0.000 0.000) 0.000 6.232 ( 0.000 0.000 0.000) 0.000 6.499 ( 0.000 0.000 0.000) 0.000 6.511 ( 0.000 0.000 0.000) 0.000 7.134 ( 0.000 0.000 0.000) 0.000 7.136 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.264 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.334 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.623 ( 0.000 0.000 0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 7.988 ( 0.000 0.000 0.000) 0.000 8.034 ( 0.000 0.000 0.000) 0.000 11.599 ( 0.000 0.000 0.000) 0.000 11.604 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 11.662 ( 0.000 0.000 0.000) 0.000 14.934 ( 0.000 0.000 0.000) 0.000 14.997 ( 0.000 0.000 0.000) 0.000 15.018 ( 0.000 0.000 0.000) 0.000 15.026 ( 0.000 0.000 0.000) 0.000 15.072 ( 0.000 0.000 0.000) 0.000 15.080 ( 0.000 0.000 0.000) 0.000 15.164 ( 0.000 0.000 0.000) 0.000 15.254 ( 0.000 0.000 0.000) 0.000 16.069 ( 0.000 0.000 0.000) 0.000 16.118 ( 0.000 0.000 0.000) 0.000 16.213 ( 0.000 0.000 0.000) 0.000 16.216 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/52) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.320 ( 19.234 0.000 4.957) 19.862 0.356 ( 14.485 0.000 10.646) 17.977 0.637 ( 22.536 0.000 1.848) 22.612 0.771 ( 19.208 0.000 -3.628) 19.548 0.871 ( 14.646 0.000 1.481) 14.720 1.062 ( -7.712 0.000 -3.859) 8.624 1.343 ( 1.277 0.000 1.938) 2.321 1.380 ( 6.379 0.000 -2.682) 6.920 1.453 ( -1.912 0.000 3.488) 3.977 1.482 ( 1.642 0.000 0.912) 1.878 1.483 ( 0.488 0.000 -1.734) 1.801 1.546 ( -1.078 0.000 -3.456) 3.621 1.603 ( 0.936 0.000 -1.570) 1.828 1.637 ( -0.029 0.000 1.992) 1.992 1.669 ( 2.715 0.000 1.414) 3.061 1.739 ( -2.815 0.000 -1.419) 3.152 1.861 ( -0.682 0.000 -0.870) 1.106 1.940 ( -1.756 0.000 -0.853) 1.952 2.046 ( 6.363 0.000 -1.864) 6.630 2.052 ( 4.890 0.000 1.119) 5.017 2.171 ( 0.349 0.000 0.784) 0.858 2.268 ( 0.375 0.000 -0.781) 0.867 2.354 ( 7.211 0.000 0.242) 7.215 2.386 ( 7.442 0.000 0.346) 7.450 2.551 ( -0.012 0.000 0.849) 0.849 2.569 ( -7.177 0.000 0.476) 7.193 3.004 ( -0.671 0.000 0.250) 0.716 3.008 ( 0.269 0.000 0.077) 0.280 3.027 ( -1.892 0.000 -0.064) 1.893 3.061 ( -0.631 0.000 -0.292) 0.695 3.479 ( -4.265 0.000 -2.663) 5.028 3.536 ( 1.304 0.000 3.711) 3.934 3.586 ( -4.265 0.000 0.211) 4.270 3.671 ( -1.654 0.000 -2.102) 2.675 3.898 ( -0.537 0.000 -3.480) 3.521 3.937 ( -3.301 0.000 0.126) 3.304 3.986 ( 9.218 0.000 -3.825) 9.980 4.016 ( -1.861 0.000 -0.338) 1.892 4.017 ( -0.446 0.000 -0.082) 0.454 4.130 ( -2.339 0.000 7.075) 7.452 4.226 ( 1.046 0.000 0.073) 1.048 4.278 ( 4.839 0.000 0.137) 4.841 4.503 ( 0.700 0.000 3.686) 3.752 4.603 ( 5.425 0.000 2.162) 5.840 4.702 ( 7.027 0.000 5.210) 8.748 4.797 ( 0.218 0.000 -9.525) 9.527 5.015 ( -5.632 0.000 -1.805) 5.914 5.310 ( -0.890 0.000 -8.139) 8.187 5.387 ( 1.905 0.000 0.911) 2.112 5.391 ( 2.922 0.000 -0.310) 2.939 5.886 ( -4.295 0.000 0.579) 4.334 5.887 ( -4.701 0.000 -0.502) 4.727 6.247 ( 1.838 0.000 -0.584) 1.928 6.253 ( 1.424 0.000 1.066) 1.779 6.470 ( -3.148 0.000 0.259) 3.158 6.482 ( -2.678 0.000 -0.142) 2.682 6.880 ( -13.224 0.000 0.806) 13.248 6.966 ( -12.600 0.000 -2.648) 12.875 7.125 ( -9.425 0.000 -1.421) 9.531 7.196 ( -8.457 0.000 1.740) 8.635 7.533 ( 6.882 0.000 0.143) 6.884 7.628 ( 7.144 0.000 -1.166) 7.239 7.739 ( 10.328 0.000 3.984) 11.070 7.892 ( -5.189 0.000 -2.367) 5.703 7.930 ( 4.495 0.000 -0.435) 4.516 7.960 ( 12.314 0.000 -4.844) 13.233 8.143 ( 7.062 0.000 -1.579) 7.236 8.342 ( 3.383 0.000 0.049) 3.384 11.594 ( -0.471 0.000 0.163) 0.499 11.600 ( -0.353 0.000 -0.171) 0.392 11.661 ( -0.130 0.000 0.123) 0.179 11.678 ( -0.038 0.000 -0.332) 0.334 14.917 ( -2.071 0.000 0.941) 2.274 14.968 ( -2.889 0.000 -0.012) 2.889 15.024 ( 0.467 0.000 0.041) 0.468 15.027 ( 0.110 0.000 -0.064) 0.127 15.090 ( 1.334 0.000 -0.133) 1.340 15.091 ( 1.828 0.000 0.018) 1.828 15.238 ( -0.106 0.000 -2.290) 2.292 15.274 ( -1.901 0.000 4.317) 4.717 16.039 ( -0.198 0.000 -1.296) 1.311 16.119 ( 3.570 0.000 3.663) 5.115 16.493 ( 14.839 0.000 8.453) 17.078 16.734 ( 6.508 0.000 -25.261) 26.086 ======================= Grid point 2 (3/52) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( 14.401 0.000 6.182) 15.672 0.716 ( 17.186 0.000 4.540) 17.776 0.918 ( 11.482 0.000 0.720) 11.505 0.918 ( -1.667 0.000 -9.365) 9.512 1.088 ( 5.648 0.000 -1.182) 5.770 1.157 ( 14.162 0.000 -1.414) 14.232 1.398 ( 1.825 0.000 2.868) 3.399 1.422 ( -0.692 0.000 -0.997) 1.214 1.425 ( -3.394 0.000 3.650) 4.985 1.456 ( 1.174 0.000 -3.312) 3.513 1.531 ( 1.032 0.000 2.853) 3.034 1.548 ( 0.847 0.000 0.492) 0.980 1.626 ( 1.678 0.000 -4.598) 4.895 1.635 ( -1.498 0.000 2.182) 2.647 1.653 ( -1.277 0.000 -1.286) 1.812 1.787 ( 2.750 0.000 -1.512) 3.138 1.801 ( -0.078 0.000 1.019) 1.022 1.908 ( -1.269 0.000 0.986) 1.606 2.129 ( 2.479 0.000 -2.413) 3.459 2.149 ( 3.681 0.000 0.786) 3.764 2.195 ( 1.049 0.000 2.698) 2.895 2.290 ( 3.571 0.000 -2.315) 4.256 2.477 ( -2.290 0.000 0.428) 2.329 2.520 ( 7.140 0.000 -0.172) 7.142 2.541 ( -0.503 0.000 0.859) 0.995 2.564 ( 8.333 0.000 0.213) 8.335 3.003 ( 0.887 0.000 0.007) 0.887 3.007 ( -0.518 0.000 0.741) 0.904 3.018 ( 0.995 0.000 -0.026) 0.995 3.043 ( -0.747 0.000 -0.647) 0.988 3.370 ( -5.393 0.000 -0.188) 5.396 3.423 ( -6.943 0.000 -0.262) 6.948 3.565 ( -2.959 0.000 2.455) 3.844 3.604 ( -2.861 0.000 -2.963) 4.119 3.843 ( -1.680 0.000 0.114) 1.684 3.872 ( -2.868 0.000 -0.329) 2.887 3.998 ( 0.303 0.000 -0.343) 0.457 4.000 ( 0.722 0.000 0.066) 0.725 4.089 ( 1.175 0.000 -2.966) 3.190 4.124 ( -3.732 0.000 4.688) 5.992 4.271 ( 5.434 0.000 -1.541) 5.648 4.354 ( 3.041 0.000 -1.142) 3.249 4.652 ( 10.295 0.000 1.445) 10.396 4.701 ( -1.335 0.000 0.031) 1.335 4.750 ( -6.930 0.000 1.354) 7.062 4.753 ( 3.426 0.000 -0.928) 3.550 4.984 ( 3.170 0.000 4.396) 5.420 5.224 ( -3.068 0.000 -5.836) 6.593 5.425 ( 1.304 0.000 0.410) 1.367 5.442 ( 2.109 0.000 0.017) 2.109 5.767 ( -6.759 0.000 -0.302) 6.765 5.774 ( -6.881 0.000 0.349) 6.890 6.274 ( 0.896 0.000 -0.901) 1.270 6.280 ( 0.216 0.000 1.032) 1.055 6.411 ( -2.295 0.000 0.281) 2.312 6.426 ( -2.272 0.000 -0.276) 2.289 6.684 ( -8.425 0.000 2.657) 8.834 6.712 ( -10.695 0.000 -2.579) 11.001 6.981 ( -3.192 0.000 -2.827) 4.263 7.087 ( -3.589 0.000 1.618) 3.937 7.589 ( -4.327 0.000 -1.939) 4.742 7.620 ( 0.036 0.000 4.284) 4.284 7.765 ( -4.776 0.000 -4.164) 6.336 7.842 ( -0.959 0.000 1.856) 2.089 8.142 ( 9.145 0.000 1.976) 9.356 8.153 ( 8.877 0.000 -1.556) 9.012 8.284 ( 7.741 0.000 0.166) 7.743 8.403 ( 2.729 0.000 -1.042) 2.921 11.589 ( -0.141 0.000 0.347) 0.375 11.591 ( -0.317 0.000 -0.292) 0.431 11.657 ( -0.459 0.000 0.169) 0.489 11.670 ( -0.598 0.000 -0.295) 0.667 14.879 ( -2.047 0.000 0.457) 2.097 14.905 ( -2.911 0.000 -0.414) 2.940 15.028 ( 0.040 0.000 -0.027) 0.048 15.032 ( 0.306 0.000 0.035) 0.308 15.128 ( 2.416 0.000 0.023) 2.416 15.137 ( 2.690 0.000 -0.020) 2.690 15.235 ( 0.627 0.000 -0.855) 1.060 15.264 ( -0.767 0.000 0.819) 1.122 16.072 ( 3.417 0.000 -2.022) 3.970 16.231 ( 4.272 0.000 6.155) 7.492 16.690 ( 1.961 0.000 -14.688) 14.819 16.777 ( 8.045 0.000 8.759) 11.893 ======================= Grid point 3 (4/52) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 4.222 0.000 -6.624) 7.855 0.983 ( 12.981 0.000 1.483) 13.065 1.034 ( 7.731 0.000 0.542) 7.749 1.084 ( 0.511 0.000 -0.388) 0.642 1.102 ( 6.479 0.000 -0.758) 6.523 1.306 ( 2.034 0.000 1.979) 2.838 1.362 ( -3.947 0.000 3.975) 5.602 1.396 ( -1.372 0.000 -0.383) 1.424 1.436 ( 0.268 0.000 3.344) 3.354 1.457 ( -0.892 0.000 -0.019) 0.892 1.520 ( -2.537 0.000 -1.788) 3.104 1.558 ( -1.428 0.000 0.378) 1.477 1.574 ( -2.457 0.000 -1.508) 2.883 1.642 ( 5.854 0.000 -0.320) 5.863 1.693 ( -2.845 0.000 -2.200) 3.596 1.734 ( 4.413 0.000 -1.432) 4.639 1.876 ( -1.965 0.000 3.770) 4.251 1.896 ( -1.074 0.000 -1.504) 1.848 2.143 ( 1.231 0.000 -0.774) 1.454 2.208 ( 3.378 0.000 -1.579) 3.728 2.240 ( 1.010 0.000 3.822) 3.953 2.350 ( 3.149 0.000 -2.693) 4.143 2.437 ( -1.924 0.000 0.294) 1.946 2.465 ( -4.960 0.000 0.884) 5.038 2.666 ( 5.285 0.000 -0.287) 5.293 2.701 ( 4.990 0.000 0.456) 5.011 3.002 ( -1.657 0.000 -0.525) 1.738 3.003 ( -0.461 0.000 0.769) 0.896 3.067 ( 3.952 0.000 0.485) 3.982 3.071 ( 4.557 0.000 -0.648) 4.602 3.275 ( -4.901 0.000 0.753) 4.959 3.299 ( -5.775 0.000 -0.918) 5.848 3.501 ( -4.054 0.000 1.180) 4.223 3.562 ( 1.016 0.000 -1.995) 2.239 3.828 ( -2.238 0.000 0.184) 2.245 3.857 ( 2.408 0.000 0.132) 2.412 3.981 ( -4.003 0.000 1.027) 4.132 3.988 ( -2.436 0.000 -0.896) 2.595 4.096 ( 2.683 0.000 -0.062) 2.684 4.101 ( 1.324 0.000 0.188) 1.337 4.397 ( 6.785 0.000 0.386) 6.796 4.409 ( 3.419 0.000 -0.722) 3.494 4.599 ( -6.837 0.000 -0.601) 6.863 4.605 ( -5.600 0.000 0.380) 5.613 4.832 ( 6.841 0.000 0.397) 6.853 4.858 ( 4.934 0.000 -0.301) 4.943 5.036 ( -1.137 0.000 2.911) 3.126 5.132 ( -3.412 0.000 -2.722) 4.365 5.447 ( 1.376 0.000 -0.059) 1.377 5.473 ( 1.339 0.000 0.267) 1.365 5.647 ( -5.176 0.000 0.057) 5.176 5.653 ( -5.228 0.000 -0.062) 5.229 6.266 ( -0.863 0.000 -0.444) 0.971 6.270 ( -1.409 0.000 0.465) 1.483 6.396 ( 0.211 0.000 0.144) 0.256 6.403 ( -0.221 0.000 -0.192) 0.293 6.542 ( -5.266 0.000 -1.798) 5.565 6.581 ( -4.064 0.000 2.500) 4.771 6.957 ( 1.577 0.000 -2.320) 2.805 7.069 ( 0.219 0.000 1.442) 1.459 7.503 ( -3.017 0.000 -1.029) 3.188 7.592 ( -3.623 0.000 2.112) 4.193 7.684 ( -2.069 0.000 -1.668) 2.658 7.788 ( -4.140 0.000 0.540) 4.175 8.275 ( 4.776 0.000 0.828) 4.847 8.279 ( 4.969 0.000 -0.736) 5.023 8.382 ( 1.479 0.000 0.741) 1.655 8.424 ( 0.037 0.000 -0.657) 0.658 11.587 ( 0.038 0.000 -0.252) 0.255 11.593 ( 0.314 0.000 0.342) 0.464 11.647 ( -0.582 0.000 0.143) 0.599 11.653 ( -0.813 0.000 -0.265) 0.855 14.849 ( -1.134 0.000 0.194) 1.151 14.860 ( -1.453 0.000 -0.233) 1.472 15.028 ( 0.022 0.000 0.011) 0.025 15.036 ( 0.080 0.000 0.000) 0.080 15.173 ( 1.987 0.000 0.073) 1.989 15.187 ( 2.387 0.000 -0.064) 2.388 15.242 ( 0.247 0.000 -0.131) 0.280 15.253 ( -0.734 0.000 0.099) 0.741 16.120 ( 2.291 0.000 -1.303) 2.636 16.342 ( 2.721 0.000 6.281) 6.845 16.633 ( 0.367 0.000 -9.740) 9.747 16.919 ( 2.826 0.000 4.613) 5.410 ======================= Grid point 4 (5/52) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 0.000 0.000) 0.000 0.972 ( 0.000 0.000 0.000) 0.000 1.149 ( 0.000 0.000 0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.200 ( 0.000 0.000 0.000) 0.000 1.274 ( -0.000 0.000 0.000) 0.000 1.355 ( -0.000 0.000 0.000) 0.000 1.389 ( -0.000 0.000 0.000) 0.000 1.431 ( 0.000 0.000 0.000) 0.000 1.467 ( 0.000 0.000 -0.000) 0.000 1.498 ( -0.000 0.000 -0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.663 ( 0.000 0.000 0.000) 0.000 1.772 ( -0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 -0.000) 0.000 1.819 ( -0.000 0.000 -0.000) 0.000 1.825 ( 0.000 0.000 0.000) 0.000 2.159 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 -0.000) 0.000 2.259 ( -0.000 0.000 0.000) 0.000 2.370 ( 0.000 0.000 0.000) 0.000 2.404 ( 0.000 0.000 0.000) 0.000 2.417 ( -0.000 0.000 0.000) 0.000 2.717 ( 0.000 0.000 0.000) 0.000 2.752 ( 0.000 0.000 0.000) 0.000 2.976 ( 0.000 0.000 -0.000) 0.000 3.000 ( -0.000 0.000 -0.000) 0.000 3.153 ( -0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.460 ( -0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.906 ( 0.000 0.000 0.000) 0.000 3.931 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.485 ( 0.000 0.000 0.000) 0.000 4.490 ( -0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 -0.000) 0.000 4.527 ( -0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 4.909 ( -0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.082 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.498 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 6.253 ( 0.000 0.000 0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.402 ( 0.000 0.000 0.000) 0.000 6.486 ( 0.000 0.000 0.000) 0.000 6.551 ( 0.000 0.000 0.000) 0.000 6.974 ( 0.000 0.000 0.000) 0.000 7.083 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.740 ( -0.000 0.000 0.000) 0.000 8.330 ( -0.000 0.000 0.000) 0.000 8.338 ( 0.000 0.000 0.000) 0.000 8.380 ( 0.000 0.000 0.000) 0.000 8.414 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 11.599 ( 0.000 0.000 0.000) 0.000 11.640 ( 0.000 0.000 0.000) 0.000 11.643 ( 0.000 0.000 0.000) 0.000 14.839 ( 0.000 0.000 0.000) 0.000 14.846 ( 0.000 0.000 0.000) 0.000 15.029 ( 0.000 0.000 0.000) 0.000 15.036 ( 0.000 0.000 0.000) 0.000 15.196 ( 0.000 0.000 0.000) 0.000 15.218 ( -0.000 0.000 0.000) 0.000 15.239 ( 0.000 0.000 0.000) 0.000 15.243 ( 0.000 0.000 0.000) 0.000 16.138 ( 0.000 0.000 0.000) 0.000 16.394 ( 0.000 0.000 0.000) 0.000 16.601 ( 0.000 0.000 0.000) 0.000 16.959 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/52) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 0.000 16.478 0.000) 16.478 0.404 ( 0.000 18.579 0.000) 18.579 0.720 ( 0.000 31.666 0.000) 31.666 0.759 ( 0.000 8.769 0.000) 8.769 0.893 ( 0.000 18.840 0.000) 18.840 1.073 ( 0.000 -5.928 0.000) 5.928 1.255 ( 0.000 1.224 0.000) 1.224 1.424 ( 0.000 1.597 0.000) 1.597 1.464 ( 0.000 -0.060 0.000) 0.060 1.510 ( 0.000 0.272 0.000) 0.272 1.539 ( 0.000 3.910 0.000) 3.910 1.545 ( 0.000 -3.404 0.000) 3.404 1.594 ( 0.000 1.776 0.000) 1.776 1.659 ( 0.000 1.838 0.000) 1.838 1.675 ( 0.000 4.655 0.000) 4.655 1.821 ( 0.000 4.177 0.000) 4.177 1.826 ( 0.000 1.469 0.000) 1.469 1.928 ( 0.000 4.817 0.000) 4.817 1.928 ( 0.000 -5.102 0.000) 5.102 1.953 ( 0.000 -4.464 0.000) 4.464 2.183 ( 0.000 1.396 0.000) 1.396 2.265 ( 0.000 0.181 0.000) 0.181 2.406 ( 0.000 5.004 0.000) 5.004 2.522 ( 0.000 -2.063 0.000) 2.063 2.949 ( 0.000 13.657 0.000) 13.657 3.043 ( 0.000 2.234 0.000) 2.234 3.052 ( 0.000 4.618 0.000) 4.618 3.062 ( 0.000 4.346 0.000) 4.346 3.193 ( 0.000 14.219 0.000) 14.219 3.320 ( 0.000 -3.824 0.000) 3.824 3.335 ( 0.000 -3.883 0.000) 3.883 3.529 ( 0.000 -4.324 0.000) 4.324 3.605 ( 0.000 -5.982 0.000) 5.982 3.680 ( 0.000 1.954 0.000) 1.954 3.800 ( 0.000 -4.592 0.000) 4.592 3.882 ( 0.000 1.083 0.000) 1.083 3.928 ( 0.000 -5.069 0.000) 5.069 4.009 ( 0.000 0.562 0.000) 0.562 4.019 ( 0.000 0.234 0.000) 0.234 4.051 ( 0.000 1.140 0.000) 1.140 4.206 ( 0.000 1.475 0.000) 1.475 4.318 ( 0.000 3.774 0.000) 3.774 4.415 ( 0.000 1.204 0.000) 1.204 4.512 ( 0.000 -1.430 0.000) 1.430 4.611 ( 0.000 6.747 0.000) 6.747 4.853 ( 0.000 3.078 0.000) 3.078 5.019 ( 0.000 -0.793 0.000) 0.793 5.073 ( 0.000 -1.591 0.000) 1.591 5.440 ( 0.000 6.946 0.000) 6.946 5.449 ( 0.000 5.697 0.000) 5.697 5.919 ( 0.000 -0.094 0.000) 0.094 5.954 ( 0.000 0.753 0.000) 0.753 6.287 ( 0.000 4.509 0.000) 4.509 6.394 ( 0.000 1.912 0.000) 1.912 6.506 ( 0.000 0.787 0.000) 0.787 6.534 ( 0.000 1.591 0.000) 1.591 7.136 ( 0.000 0.481 0.000) 0.481 7.241 ( 0.000 -3.198 0.000) 3.198 7.242 ( 0.000 -1.496 0.000) 1.496 7.262 ( 0.000 -0.716 0.000) 0.716 7.345 ( 0.000 0.580 0.000) 0.580 7.446 ( 0.000 0.728 0.000) 0.728 7.522 ( 0.000 0.801 0.000) 0.801 7.595 ( 0.000 -2.081 0.000) 2.081 7.941 ( 0.000 -3.787 0.000) 3.787 7.945 ( 0.000 -1.557 0.000) 1.557 7.996 ( 0.000 -1.594 0.000) 1.594 8.008 ( 0.000 -2.674 0.000) 2.674 11.583 ( 0.000 -1.409 0.000) 1.409 11.589 ( 0.000 -1.354 0.000) 1.354 11.639 ( 0.000 -1.840 0.000) 1.840 11.642 ( 0.000 -1.796 0.000) 1.796 14.944 ( 0.000 0.973 0.000) 0.973 15.000 ( 0.000 0.574 0.000) 0.574 15.018 ( 0.000 0.131 0.000) 0.131 15.053 ( 0.000 0.625 0.000) 0.625 15.191 ( 0.000 8.666 0.000) 8.666 15.198 ( 0.000 3.098 0.000) 3.098 15.298 ( 0.000 3.298 0.000) 3.298 15.614 ( 0.000 -1.222 0.000) 1.222 16.046 ( 0.000 -1.904 0.000) 1.904 16.126 ( 0.000 -1.561 0.000) 1.561 16.161 ( 0.000 -3.418 0.000) 3.418 16.213 ( 0.000 -1.346 0.000) 1.346 ======================= Grid point 10 (7/52) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 10.122 10.384 8.492) 16.804 0.589 ( 11.230 14.702 -0.345) 18.504 0.837 ( 4.764 11.226 0.829) 12.223 0.924 ( 17.012 13.010 -4.861) 21.961 0.981 ( 10.873 10.261 -2.532) 15.163 1.046 ( 0.541 5.797 4.714) 7.491 1.290 ( 3.679 -0.205 -1.129) 3.854 1.448 ( -0.720 -0.219 2.330) 2.448 1.471 ( 0.482 1.343 0.758) 1.615 1.477 ( -0.863 0.330 -0.700) 1.159 1.504 ( -1.435 0.802 -2.428) 2.932 1.552 ( 0.485 -0.932 0.081) 1.054 1.645 ( -0.018 1.666 -0.319) 1.696 1.649 ( 5.689 3.350 -1.014) 6.679 1.683 ( -0.041 4.362 1.156) 4.512 1.779 ( -2.107 2.835 -2.287) 4.208 1.849 ( -0.200 -0.332 2.262) 2.295 1.910 ( 0.509 0.163 -1.673) 1.756 2.006 ( 5.026 -2.341 0.708) 5.589 2.042 ( 6.224 -1.770 -0.826) 6.524 2.180 ( -0.326 0.887 1.010) 1.383 2.267 ( 0.447 -0.003 -1.120) 1.206 2.438 ( 1.919 2.607 1.607) 3.614 2.520 ( -0.132 -1.943 -1.052) 2.214 2.810 ( -8.719 20.406 -0.639) 22.200 2.890 ( -12.981 18.314 0.785) 22.462 3.017 ( -1.542 0.678 0.246) 1.702 3.053 ( -1.345 1.290 -0.263) 1.882 3.078 ( -1.362 6.009 -0.846) 6.219 3.096 ( -3.399 5.157 0.584) 6.204 3.452 ( -4.046 -3.549 -1.931) 5.718 3.496 ( -1.387 -5.968 1.537) 6.317 3.604 ( 3.124 3.598 0.704) 4.817 3.670 ( 0.665 0.520 -0.494) 0.978 3.821 ( -3.168 -5.283 -2.256) 6.560 3.889 ( -3.209 -2.253 1.189) 4.097 3.931 ( 1.786 -4.232 -1.328) 4.782 3.975 ( -0.641 -2.266 0.298) 2.374 4.040 ( 2.739 0.429 -1.604) 3.203 4.121 ( 1.206 -3.327 3.236) 4.796 4.204 ( 1.282 3.614 -1.273) 4.040 4.316 ( 2.618 2.360 0.408) 3.548 4.503 ( 2.434 1.628 3.598) 4.639 4.614 ( 7.964 0.050 -0.191) 7.967 4.713 ( 5.448 2.801 4.130) 7.388 4.813 ( -1.274 1.394 -5.972) 6.263 5.004 ( -3.432 -0.814 -0.832) 3.624 5.172 ( 6.253 -6.530 -2.072) 9.275 5.469 ( 2.604 7.041 -0.038) 7.508 5.473 ( 2.459 6.389 0.004) 6.845 5.895 ( -3.434 0.858 0.955) 3.666 5.919 ( -3.583 1.847 -0.385) 4.050 6.285 ( -0.089 3.001 0.363) 3.024 6.314 ( -2.880 3.828 -0.346) 4.803 6.484 ( -2.575 1.551 -0.088) 3.007 6.521 ( -3.081 1.942 -0.045) 3.642 6.875 ( -13.840 -0.240 0.539) 13.852 6.944 ( -13.304 -1.685 -1.431) 13.487 7.071 ( -10.935 -2.031 -0.224) 11.124 7.206 ( -8.730 -1.303 0.988) 8.882 7.515 ( 6.135 -1.214 -1.213) 6.370 7.610 ( 7.999 -2.167 0.060) 8.288 7.673 ( 7.273 -4.131 1.369) 8.476 7.813 ( 1.503 -5.110 -1.489) 5.530 7.912 ( 7.358 -1.432 1.270) 7.603 7.959 ( 6.950 -0.707 -2.918) 7.571 8.110 ( 8.730 -2.936 0.128) 9.212 8.194 ( 10.913 -6.316 0.860) 12.638 11.578 ( -0.435 -1.360 0.142) 1.435 11.584 ( -0.405 -1.379 -0.150) 1.445 11.641 ( -0.126 -1.835 0.030) 1.840 11.649 ( 0.403 -2.243 -0.020) 2.279 14.926 ( -1.779 1.018 0.431) 2.094 14.967 ( -2.368 0.429 -0.586) 2.477 15.036 ( 0.678 0.364 1.002) 1.263 15.053 ( 0.090 0.655 -0.699) 0.963 15.164 ( -0.547 5.693 0.067) 5.720 15.198 ( -2.354 7.289 0.065) 7.660 15.259 ( -0.050 3.317 -1.036) 3.475 15.420 ( -7.788 7.553 1.294) 10.925 16.029 ( -0.196 -0.797 -1.145) 1.409 16.097 ( 3.367 -1.828 2.958) 4.840 16.395 ( 14.283 -8.579 2.458) 16.842 16.504 ( 14.036 -11.263 -8.211) 19.781 ======================= Grid point 11 (8/52) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 12.493 5.532 6.199) 15.004 0.818 ( 11.941 5.443 -0.587) 13.136 0.880 ( 3.098 3.067 -0.909) 4.453 1.039 ( 5.843 6.740 -5.550) 10.506 1.160 ( 3.640 6.122 0.515) 7.141 1.274 ( 9.947 8.538 -0.898) 13.139 1.357 ( 2.506 -3.051 1.577) 4.251 1.415 ( -0.348 1.150 -1.062) 1.604 1.445 ( -1.834 1.727 3.876) 4.623 1.484 ( -0.242 3.658 -0.645) 3.723 1.515 ( -0.638 0.075 0.718) 0.964 1.606 ( 5.668 0.805 -2.381) 6.201 1.638 ( -1.885 4.304 -0.572) 4.733 1.683 ( 1.811 2.197 -0.317) 2.865 1.732 ( -0.399 5.819 0.148) 5.835 1.782 ( 5.452 0.113 1.406) 5.632 1.817 ( -3.421 1.139 -0.664) 3.666 1.916 ( 1.542 0.941 -0.417) 1.854 2.103 ( 3.737 -2.312 -0.064) 4.395 2.131 ( 3.383 -0.557 -0.871) 3.538 2.195 ( 0.956 -0.118 2.320) 2.512 2.272 ( 1.500 -1.205 -2.077) 2.831 2.462 ( -0.948 -0.082 1.439) 1.725 2.495 ( -2.190 -2.114 -0.057) 3.044 2.731 ( 0.448 13.817 -1.273) 13.883 2.794 ( -0.165 13.214 1.200) 13.270 3.006 ( -0.076 0.352 0.680) 0.770 3.030 ( -0.162 0.313 -0.697) 0.781 3.063 ( -0.141 4.477 -0.243) 4.486 3.083 ( 1.295 5.740 0.210) 5.888 3.364 ( -4.150 -1.385 -0.092) 4.376 3.418 ( -5.188 -1.539 -0.002) 5.412 3.596 ( -3.161 2.834 -0.704) 4.304 3.652 ( -3.302 5.165 0.392) 6.143 3.780 ( 0.338 -4.427 -0.230) 4.446 3.827 ( -1.674 -3.021 0.024) 3.454 3.932 ( 0.288 -6.247 -1.425) 6.414 3.962 ( -0.396 -4.231 0.911) 4.346 4.080 ( 1.026 -1.537 -0.845) 2.032 4.123 ( -2.315 -1.817 1.473) 3.291 4.256 ( 4.346 2.122 0.025) 4.837 4.342 ( 1.125 0.234 -0.628) 1.310 4.649 ( 4.052 -0.004 -0.246) 4.060 4.719 ( 3.640 3.121 0.280) 4.803 4.747 ( -5.632 -0.165 1.667) 5.876 4.767 ( 3.925 2.077 -0.881) 4.527 5.005 ( 2.987 1.087 3.204) 4.513 5.193 ( -0.699 -2.899 -4.124) 5.089 5.521 ( 2.572 7.938 -0.404) 8.354 5.531 ( 2.702 7.462 0.432) 7.948 5.804 ( -5.657 2.982 0.775) 6.441 5.813 ( -6.483 3.210 -0.416) 7.246 6.280 ( -1.402 -0.081 0.547) 1.507 6.285 ( -1.132 0.783 -0.560) 1.486 6.425 ( -2.471 1.449 0.170) 2.870 6.448 ( -3.103 1.597 -0.109) 3.492 6.667 ( -8.434 -1.223 1.783) 8.706 6.701 ( -9.976 -1.042 -1.947) 10.217 6.934 ( -3.013 -3.099 -0.711) 4.380 7.076 ( -4.756 -2.125 0.452) 5.228 7.571 ( -3.652 -1.395 -1.386) 4.148 7.593 ( -0.043 -2.212 2.614) 3.424 7.728 ( -3.996 -3.314 -3.323) 6.164 7.784 ( 0.349 -4.365 1.926) 4.784 8.116 ( 8.826 -1.976 1.353) 9.145 8.137 ( 8.769 -1.456 -1.240) 8.975 8.263 ( 6.982 -2.091 0.042) 7.288 8.346 ( 4.571 -4.673 -0.368) 6.547 11.572 ( -0.207 -1.395 0.300) 1.442 11.575 ( -0.400 -1.440 -0.258) 1.517 11.635 ( -0.468 -1.896 0.102) 1.955 11.647 ( -0.481 -2.050 -0.182) 2.113 14.890 ( -1.929 1.107 0.366) 2.254 14.914 ( -2.518 0.936 -0.314) 2.705 15.044 ( -0.350 0.692 -0.795) 1.110 15.051 ( 0.197 0.706 0.752) 1.050 15.178 ( 1.478 4.622 0.085) 4.854 15.186 ( 1.463 4.644 -0.069) 4.870 15.268 ( 0.585 3.304 -0.108) 3.357 15.336 ( -2.486 5.190 0.044) 5.755 16.061 ( 3.331 -0.747 -1.681) 3.805 16.202 ( 4.281 -2.399 5.208) 7.156 16.572 ( 5.471 -9.033 -10.321) 14.767 16.689 ( 7.904 -7.711 5.944) 12.541 ======================= Grid point 12 (9/52) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( 5.447 4.355 -4.095) 8.087 1.044 ( 10.729 3.436 4.647) 12.186 1.062 ( 10.913 2.095 0.136) 11.113 1.092 ( -0.237 2.493 -2.500) 3.539 1.169 ( 2.103 4.979 -1.777) 5.690 1.335 ( 0.066 0.362 0.350) 0.508 1.416 ( -2.633 3.196 0.974) 4.254 1.437 ( 0.795 4.713 1.892) 5.140 1.442 ( -1.585 -1.450 0.488) 2.203 1.463 ( -2.348 -0.576 -1.601) 2.900 1.495 ( 3.303 2.613 -0.489) 4.240 1.548 ( -1.978 3.296 2.674) 4.683 1.650 ( -1.564 3.384 1.214) 3.921 1.698 ( -3.381 0.801 -3.331) 4.813 1.726 ( -1.719 1.981 0.479) 2.666 1.791 ( 4.172 6.021 0.094) 7.326 1.871 ( 2.776 2.583 -0.386) 3.811 1.949 ( -0.248 2.994 0.311) 3.020 2.141 ( 1.489 -0.196 -0.767) 1.686 2.188 ( 3.241 -1.434 -0.386) 3.565 2.233 ( 0.878 -0.364 2.850) 3.004 2.303 ( 2.653 -3.327 -2.605) 4.989 2.420 ( -3.295 -1.634 0.426) 3.703 2.445 ( -2.842 -1.007 0.648) 3.083 2.768 ( 2.767 7.775 -0.624) 8.276 2.814 ( 0.887 7.332 0.759) 7.425 3.010 ( -0.143 0.759 -0.036) 0.773 3.022 ( -0.591 1.251 0.215) 1.400 3.097 ( 3.529 4.012 -0.428) 5.361 3.134 ( 3.319 4.976 0.251) 5.986 3.292 ( -3.417 1.071 0.389) 3.602 3.319 ( -4.699 1.417 -0.504) 4.934 3.513 ( -4.551 1.003 0.196) 4.665 3.579 ( -1.893 1.741 -0.919) 2.731 3.806 ( -0.348 -1.356 0.171) 1.410 3.835 ( 3.423 -1.247 -0.069) 3.644 3.940 ( -0.147 -4.001 -0.101) 4.005 3.957 ( -0.949 -3.497 0.229) 3.631 4.066 ( -2.030 -2.964 0.971) 3.722 4.079 ( -1.146 -3.493 -0.796) 3.762 4.366 ( 6.141 -0.330 0.344) 6.159 4.393 ( 4.454 -0.590 -0.359) 4.507 4.580 ( -4.706 0.875 -1.124) 4.917 4.637 ( -5.339 1.995 0.877) 5.766 4.851 ( 5.351 2.603 0.266) 5.956 4.859 ( 4.398 0.991 -0.242) 4.515 5.055 ( -0.355 1.062 2.035) 2.323 5.133 ( -2.873 -0.644 -1.863) 3.484 5.558 ( 1.653 8.882 -0.259) 9.039 5.575 ( 1.963 8.226 0.339) 8.463 5.698 ( -4.514 4.211 -0.363) 6.184 5.713 ( -4.039 5.157 0.353) 6.560 6.234 ( -2.887 -3.047 -0.084) 4.198 6.242 ( -2.503 -2.646 0.074) 3.643 6.409 ( 0.123 1.171 0.158) 1.188 6.416 ( -0.480 1.024 -0.144) 1.140 6.544 ( -4.397 0.568 -1.667) 4.737 6.578 ( -3.094 0.231 1.995) 3.689 6.920 ( 1.287 -3.334 -1.034) 3.721 7.024 ( -1.271 -4.302 0.637) 4.531 7.492 ( -2.773 -0.829 -0.794) 3.001 7.573 ( -3.060 -1.562 1.918) 3.935 7.657 ( -1.426 -2.254 -1.956) 3.307 7.756 ( -3.091 -2.738 0.738) 4.195 8.246 ( 4.551 -2.450 0.216) 5.173 8.257 ( 4.420 -2.006 -0.130) 4.855 8.350 ( 1.549 -2.882 0.451) 3.303 8.386 ( 0.343 -3.478 -0.419) 3.520 11.568 ( -0.068 -1.569 -0.228) 1.587 11.575 ( 0.198 -1.585 0.300) 1.626 11.625 ( -0.570 -1.907 0.092) 1.993 11.632 ( -0.753 -1.894 -0.190) 2.047 14.861 ( -1.137 1.104 0.019) 1.585 14.874 ( -1.372 1.301 0.035) 1.891 15.033 ( -0.299 0.198 -0.544) 0.652 15.057 ( 0.025 0.958 0.467) 1.066 15.214 ( 2.017 3.816 -0.104) 4.318 15.227 ( 2.254 3.589 0.111) 4.240 15.274 ( -0.042 3.124 0.128) 3.127 15.302 ( -1.311 4.022 -0.148) 4.233 16.110 ( 2.317 -0.582 -1.090) 2.626 16.308 ( 2.781 -2.840 5.248) 6.584 16.571 ( 1.486 -5.319 -8.112) 9.814 16.831 ( 3.407 -7.761 3.869) 9.317 ======================= Grid point 13 (10/52) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( -0.000 4.510 0.000) 4.510 1.018 ( 0.000 4.387 0.000) 4.387 1.180 ( 0.000 2.962 0.000) 2.962 1.233 ( 0.000 2.503 0.000) 2.503 1.261 ( -0.000 7.924 -0.000) 7.924 1.273 ( 0.000 -1.448 0.000) 1.448 1.334 ( 0.000 -2.598 0.000) 2.598 1.377 ( -0.000 0.359 -0.000) 0.359 1.433 ( -0.000 2.356 0.000) 2.356 1.476 ( 0.000 2.357 0.000) 2.357 1.539 ( -0.000 2.206 0.000) 2.206 1.575 ( 0.000 4.557 -0.000) 4.557 1.608 ( 0.000 4.283 0.000) 4.283 1.662 ( 0.000 -0.011 0.000) 0.011 1.703 ( -0.000 -4.426 -0.000) 4.426 1.842 ( -0.000 5.469 0.000) 5.469 1.906 ( -0.000 3.380 -0.000) 3.380 1.908 ( 0.000 7.511 0.000) 7.511 2.157 ( 0.000 -0.149 0.000) 0.149 2.234 ( 0.000 -1.855 -0.000) 1.855 2.250 ( -0.000 -0.314 0.000) 0.314 2.322 ( 0.000 -3.622 0.000) 3.622 2.383 ( 0.000 -1.638 0.000) 1.638 2.410 ( -0.000 -0.580 0.000) 0.580 2.797 ( 0.000 6.376 -0.000) 6.376 2.827 ( 0.000 5.584 0.000) 5.584 3.001 ( 0.000 1.663 0.000) 1.663 3.020 ( 0.000 1.511 0.000) 1.511 3.151 ( 0.000 0.978 0.000) 0.978 3.185 ( 0.000 1.559 0.000) 1.559 3.240 ( -0.000 4.934 0.000) 4.934 3.254 ( 0.000 4.926 -0.000) 4.926 3.462 ( 0.000 -0.054 0.000) 0.054 3.576 ( 0.000 -1.644 0.000) 1.644 3.788 ( 0.000 0.485 0.000) 0.485 3.895 ( 0.000 -0.862 0.000) 0.862 3.930 ( 0.000 -0.246 0.000) 0.246 3.930 ( 0.000 0.572 0.000) 0.572 4.044 ( 0.000 -8.637 0.000) 8.637 4.071 ( 0.000 -6.589 0.000) 6.589 4.448 ( -0.000 -1.535 0.000) 1.535 4.468 ( 0.000 -1.191 0.000) 1.191 4.512 ( 0.000 2.673 0.000) 2.673 4.571 ( 0.000 3.943 0.000) 3.943 4.898 ( 0.000 1.213 0.000) 1.213 4.912 ( 0.000 1.569 0.000) 1.569 5.047 ( 0.000 1.379 0.000) 1.379 5.090 ( -0.000 -0.319 -0.000) 0.319 5.587 ( 0.000 9.060 0.000) 9.060 5.615 ( -0.000 9.086 0.000) 9.086 5.641 ( -0.000 4.951 0.000) 4.951 5.656 ( 0.000 5.589 0.000) 5.589 6.199 ( 0.000 -4.316 0.000) 4.316 6.216 ( 0.000 -4.276 0.000) 4.276 6.412 ( 0.000 0.944 0.000) 0.944 6.413 ( 0.000 0.892 0.000) 0.892 6.496 ( 0.000 1.451 0.000) 1.451 6.558 ( 0.000 1.252 0.000) 1.252 6.935 ( 0.000 -3.575 0.000) 3.575 7.018 ( 0.000 -5.659 0.000) 5.659 7.462 ( 0.000 -0.518 0.000) 0.518 7.545 ( 0.000 -1.155 0.000) 1.155 7.636 ( -0.000 -1.693 0.000) 1.693 7.719 ( 0.000 -1.891 0.000) 1.891 8.295 ( -0.000 -2.989 0.000) 2.989 8.308 ( 0.000 -2.653 0.000) 2.653 8.352 ( 0.000 -2.563 0.000) 2.563 8.380 ( 0.000 -3.097 0.000) 3.097 11.567 ( 0.000 -1.665 0.000) 1.665 11.579 ( -0.000 -1.720 0.000) 1.720 11.618 ( 0.000 -1.902 0.000) 1.902 11.623 ( 0.000 -1.795 0.000) 1.795 14.850 ( 0.000 1.043 0.000) 1.043 14.861 ( 0.000 1.423 0.000) 1.423 15.028 ( 0.000 -0.064 0.000) 0.064 15.058 ( 0.000 1.009 0.000) 1.009 15.238 ( 0.000 3.710 0.000) 3.710 15.259 ( -0.000 3.490 0.000) 3.490 15.270 ( 0.000 3.095 0.000) 3.095 15.281 ( 0.000 3.581 0.000) 3.581 16.130 ( 0.000 -0.476 0.000) 0.476 16.356 ( 0.000 -3.137 -0.000) 3.137 16.555 ( 0.000 -4.048 0.000) 4.048 16.875 ( 0.000 -7.484 -0.000) 7.484 ======================= Grid point 18 (11/52) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 16.664 0.000) 16.664 0.786 ( 0.000 17.050 0.000) 17.050 0.995 ( 0.000 12.482 0.000) 12.482 1.052 ( 0.000 3.901 0.000) 3.901 1.211 ( 0.000 12.140 0.000) 12.140 1.292 ( 0.000 8.086 0.000) 8.086 1.317 ( 0.000 11.944 0.000) 11.944 1.448 ( 0.000 0.930 0.000) 0.930 1.457 ( 0.000 -0.870 0.000) 0.870 1.473 ( 0.000 -3.442 0.000) 3.442 1.524 ( 0.000 2.211 0.000) 2.211 1.534 ( 0.000 -1.492 0.000) 1.492 1.641 ( 0.000 1.609 0.000) 1.609 1.682 ( 0.000 0.176 0.000) 0.176 1.782 ( 0.000 -7.300 0.000) 7.300 1.817 ( 0.000 1.224 0.000) 1.224 1.823 ( 0.000 -6.534 0.000) 6.534 1.854 ( 0.000 5.167 0.000) 5.167 1.919 ( 0.000 3.891 0.000) 3.891 2.007 ( 0.000 1.802 0.000) 1.802 2.224 ( 0.000 2.522 0.000) 2.522 2.287 ( 0.000 1.857 0.000) 1.857 2.449 ( 0.000 -0.788 0.000) 0.788 2.465 ( 0.000 -3.185 0.000) 3.185 3.040 ( 0.000 2.361 0.000) 2.361 3.121 ( 0.000 2.700 0.000) 2.700 3.133 ( 0.000 2.085 0.000) 2.085 3.155 ( 0.000 3.854 0.000) 3.854 3.224 ( 0.000 -4.451 0.000) 4.451 3.254 ( 0.000 -2.932 0.000) 2.932 3.326 ( 0.000 -3.401 0.000) 3.401 3.407 ( 0.000 -6.664 0.000) 6.664 3.657 ( 0.000 0.445 0.000) 0.445 3.694 ( 0.000 -1.124 0.000) 1.124 3.743 ( 0.000 -0.211 0.000) 0.211 3.828 ( 0.000 -3.880 0.000) 3.880 3.859 ( 0.000 3.539 0.000) 3.539 4.010 ( 0.000 -0.184 0.000) 0.184 4.053 ( 0.000 -0.501 0.000) 0.501 4.077 ( 0.000 1.137 0.000) 1.137 4.297 ( 0.000 8.047 0.000) 8.047 4.442 ( 0.000 7.459 0.000) 7.459 4.487 ( 0.000 5.337 0.000) 5.337 4.547 ( 0.000 5.002 0.000) 5.002 4.766 ( 0.000 6.701 0.000) 6.701 4.926 ( 0.000 3.174 0.000) 3.174 4.983 ( 0.000 -2.544 0.000) 2.544 5.029 ( 0.000 -2.317 0.000) 2.317 5.601 ( 0.000 7.978 0.000) 7.978 5.609 ( 0.000 8.274 0.000) 8.274 5.918 ( 0.000 -0.279 0.000) 0.279 5.948 ( 0.000 -1.472 0.000) 1.472 6.394 ( 0.000 5.004 0.000) 5.004 6.449 ( 0.000 3.059 0.000) 3.059 6.526 ( 0.000 0.826 0.000) 0.826 6.561 ( 0.000 0.642 0.000) 0.642 7.150 ( 0.000 0.126 0.000) 0.126 7.180 ( 0.000 -1.879 0.000) 1.879 7.202 ( 0.000 -2.119 0.000) 2.119 7.233 ( 0.000 -1.909 0.000) 1.909 7.361 ( 0.000 1.686 0.000) 1.686 7.467 ( 0.000 1.033 0.000) 1.033 7.535 ( 0.000 0.114 0.000) 0.114 7.556 ( 0.000 -1.367 0.000) 1.367 7.857 ( 0.000 -3.327 0.000) 3.327 7.897 ( 0.000 -2.755 0.000) 2.755 7.923 ( 0.000 -4.761 0.000) 4.761 7.944 ( 0.000 -3.105 0.000) 3.105 11.548 ( 0.000 -1.572 0.000) 1.572 11.554 ( 0.000 -1.689 0.000) 1.689 11.588 ( 0.000 -2.605 0.000) 2.605 11.593 ( 0.000 -2.541 0.000) 2.541 14.973 ( 0.000 1.573 0.000) 1.573 15.022 ( 0.000 0.164 0.000) 0.164 15.024 ( 0.000 1.499 0.000) 1.499 15.068 ( 0.000 0.609 0.000) 0.609 15.284 ( 0.000 4.621 0.000) 4.621 15.356 ( 0.000 5.653 0.000) 5.653 15.365 ( 0.000 2.718 0.000) 2.718 15.570 ( 0.000 -2.926 0.000) 2.926 16.002 ( 0.000 -1.796 0.000) 1.796 16.083 ( 0.000 -3.613 0.000) 3.613 16.093 ( 0.000 -1.155 0.000) 1.155 16.168 ( 0.000 -2.563 0.000) 2.563 ======================= Grid point 19 (12/52) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.749 ( 4.337 13.496 4.213) 14.788 0.878 ( 5.930 12.740 -2.448) 14.265 1.004 ( -1.581 6.969 -2.208) 7.479 1.087 ( 6.161 8.960 0.844) 10.907 1.273 ( 2.810 10.912 1.936) 11.433 1.316 ( 4.794 3.236 -1.948) 6.103 1.350 ( 1.787 8.875 -0.317) 9.058 1.444 ( 0.401 -0.816 -0.968) 1.328 1.451 ( -0.937 -0.663 1.887) 2.208 1.499 ( 1.117 0.421 0.830) 1.454 1.527 ( 3.197 1.764 -0.802) 3.739 1.569 ( 2.843 1.733 1.414) 3.617 1.634 ( 0.889 2.250 -0.437) 2.458 1.689 ( 0.504 0.643 0.195) 0.839 1.762 ( -0.718 -3.417 -0.346) 3.509 1.815 ( 1.474 -4.310 -0.334) 4.567 1.870 ( 3.458 6.694 -1.172) 7.625 1.911 ( -0.091 3.364 0.919) 3.488 1.950 ( 6.473 -4.024 -1.156) 7.709 2.034 ( 2.567 0.701 0.494) 2.706 2.213 ( -0.863 2.489 0.241) 2.645 2.283 ( -0.363 1.544 -0.482) 1.658 2.453 ( -0.095 -1.288 1.201) 1.763 2.466 ( 0.187 -2.903 -0.887) 3.041 2.996 ( -4.351 0.812 -0.112) 4.427 3.057 ( -5.622 1.201 0.125) 5.750 3.102 ( -3.114 4.250 0.295) 5.277 3.109 ( -2.873 4.756 -0.418) 5.572 3.198 ( -1.700 1.959 -0.169) 2.599 3.224 ( -0.885 3.108 0.036) 3.232 3.357 ( -2.119 -4.511 0.403) 5.000 3.359 ( -0.349 -3.328 -0.481) 3.380 3.622 ( 0.672 -4.223 1.177) 4.435 3.661 ( -1.819 -1.278 -0.930) 2.410 3.736 ( -1.000 -2.191 0.864) 2.559 3.850 ( -1.136 -4.735 -1.173) 5.009 3.867 ( -0.514 2.770 -0.334) 2.837 4.010 ( -6.167 3.308 0.722) 7.036 4.027 ( 0.790 -1.772 -0.744) 2.078 4.063 ( -0.049 -1.590 0.790) 1.776 4.347 ( 4.405 9.384 -1.520) 10.477 4.412 ( 0.436 7.507 1.256) 7.624 4.591 ( 5.369 6.091 1.520) 8.261 4.635 ( 8.192 2.713 -1.011) 8.688 4.802 ( 1.873 4.640 2.742) 5.706 4.870 ( -2.939 2.999 -2.470) 4.871 4.975 ( -1.279 -1.945 -0.057) 2.329 5.067 ( 3.609 -4.112 -0.859) 5.538 5.635 ( 3.153 8.110 0.169) 8.703 5.640 ( 3.031 8.281 -0.149) 8.820 5.912 ( -1.219 0.512 0.553) 1.433 5.941 ( -1.046 -0.114 -0.315) 1.098 6.363 ( -2.997 4.016 0.052) 5.011 6.397 ( -4.006 3.951 0.061) 5.627 6.511 ( -2.187 0.487 -0.279) 2.258 6.543 ( -2.742 0.105 0.205) 2.752 6.878 ( -15.520 0.731 0.114) 15.538 6.919 ( -14.792 -0.248 -0.142) 14.795 7.037 ( -12.161 -1.962 -0.686) 12.338 7.136 ( -9.588 -4.756 1.088) 10.758 7.501 ( 4.045 0.111 -2.132) 4.574 7.547 ( 6.884 -2.086 2.035) 7.475 7.617 ( 3.141 -2.019 -0.748) 3.808 7.713 ( 1.404 -4.480 0.026) 4.695 7.880 ( 8.319 -0.967 0.837) 8.417 7.935 ( 7.713 -1.088 -1.045) 7.859 8.037 ( 9.559 -3.619 0.626) 10.241 8.083 ( 8.774 -5.051 -0.379) 10.131 11.544 ( -0.358 -1.521 0.119) 1.567 11.549 ( -0.410 -1.644 -0.121) 1.698 11.591 ( -0.143 -2.590 -0.092) 2.595 11.593 ( 0.173 -2.768 0.117) 2.776 14.956 ( -1.598 1.697 0.396) 2.364 14.989 ( -1.906 1.347 -0.814) 2.472 15.041 ( 0.248 0.154 1.219) 1.253 15.063 ( -0.270 0.282 -0.725) 0.823 15.281 ( -0.086 5.224 -0.030) 5.225 15.333 ( -2.314 4.305 -0.226) 4.892 15.355 ( -0.160 4.889 0.272) 4.899 15.505 ( -4.692 0.723 0.006) 4.747 16.018 ( 0.976 -0.015 -0.239) 1.005 16.059 ( 2.650 -1.097 0.885) 3.001 16.220 ( 9.923 -6.678 -0.507) 11.972 16.316 ( 9.649 -7.439 -0.615) 12.199 ======================= Grid point 20 (13/52) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 8.882 8.161 5.099) 13.096 0.943 ( 5.607 7.696 -4.460) 10.515 1.015 ( 2.377 7.534 1.131) 7.980 1.162 ( 1.601 4.440 -2.254) 5.230 1.295 ( 0.402 3.288 -0.267) 3.324 1.322 ( -1.179 2.096 0.064) 2.406 1.406 ( -0.121 2.381 -0.870) 2.538 1.459 ( 0.658 -0.049 2.870) 2.945 1.488 ( 1.039 4.037 -0.219) 4.174 1.492 ( 2.877 0.519 -1.618) 3.341 1.577 ( 0.628 0.881 2.962) 3.153 1.646 ( 0.024 -0.371 -2.340) 2.369 1.692 ( 1.854 0.841 -1.404) 2.473 1.703 ( 1.348 0.026 1.281) 1.859 1.814 ( 0.300 -0.878 0.519) 1.063 1.838 ( 8.744 8.524 0.807) 12.237 1.899 ( -0.551 5.585 0.650) 5.650 1.951 ( 4.127 2.983 -1.913) 5.439 2.061 ( 4.272 -2.700 1.114) 5.175 2.107 ( 4.945 -0.822 -1.533) 5.242 2.204 ( -0.248 1.822 0.786) 2.000 2.268 ( -0.611 0.853 -0.555) 1.187 2.439 ( -2.007 -2.271 -0.309) 3.047 2.459 ( -1.005 -1.179 0.757) 1.724 2.910 ( -2.950 2.350 0.087) 3.773 2.953 ( -3.676 2.875 -0.040) 4.667 3.057 ( -1.196 4.111 0.157) 4.285 3.076 ( -0.848 2.644 -0.268) 2.790 3.192 ( 0.792 5.967 0.508) 6.040 3.223 ( 0.694 4.308 -0.494) 4.392 3.311 ( -1.434 -1.819 0.080) 2.318 3.351 ( -1.255 -2.976 0.155) 3.233 3.645 ( -3.220 -2.912 0.938) 4.442 3.666 ( 0.814 -3.533 -1.603) 3.964 3.706 ( 1.391 -3.230 -0.024) 3.517 3.768 ( -3.614 -4.401 -0.464) 5.713 3.869 ( -3.391 -0.697 -0.733) 3.539 3.872 ( -2.634 3.310 1.562) 4.510 4.021 ( -0.852 -3.441 -0.809) 3.636 4.055 ( -1.359 -3.110 0.796) 3.486 4.408 ( 2.498 11.155 -0.362) 11.437 4.434 ( 0.837 8.826 0.349) 8.872 4.692 ( 0.287 4.173 -0.644) 4.232 4.727 ( 0.482 1.208 0.889) 1.575 4.836 ( 2.611 4.544 0.157) 5.243 4.843 ( 2.884 3.384 -0.158) 4.449 5.000 ( 2.903 -1.799 2.261) 4.096 5.111 ( 1.538 -4.586 -2.696) 5.538 5.707 ( 3.692 8.424 0.039) 9.198 5.711 ( 3.711 8.372 -0.081) 9.158 5.871 ( -3.171 2.624 0.770) 4.187 5.882 ( -4.611 2.921 -0.508) 5.482 6.287 ( -5.034 1.158 0.059) 5.166 6.306 ( -5.706 1.422 -0.090) 5.881 6.450 ( -2.919 -0.167 0.135) 2.927 6.465 ( -3.890 -0.631 -0.111) 3.942 6.656 ( -7.161 0.808 1.018) 7.278 6.688 ( -8.078 0.654 -1.228) 8.197 6.868 ( -4.842 -3.275 0.289) 5.853 6.984 ( -6.059 -6.013 0.066) 8.536 7.543 ( -0.968 -1.205 0.090) 1.548 7.549 ( -1.669 -1.093 -0.026) 1.996 7.640 ( -1.693 -4.291 -1.535) 4.862 7.697 ( -0.217 -3.672 1.212) 3.873 8.073 ( 8.074 -1.698 0.990) 8.310 8.101 ( 7.762 -1.550 -1.023) 7.981 8.196 ( 6.033 -3.896 0.066) 7.182 8.231 ( 5.574 -5.571 -0.062) 7.880 11.538 ( -0.324 -1.526 0.180) 1.570 11.539 ( -0.474 -1.586 -0.158) 1.663 11.584 ( -0.472 -2.631 0.008) 2.673 11.592 ( -0.359 -2.814 -0.040) 2.837 14.925 ( -1.742 1.967 0.251) 2.639 14.945 ( -2.055 1.839 -0.147) 2.761 15.047 ( -0.658 -0.471 -1.038) 1.316 15.052 ( -0.001 -0.365 0.945) 1.013 15.289 ( 1.011 5.267 0.162) 5.366 15.306 ( -0.071 5.425 -0.209) 5.430 15.356 ( 0.158 4.188 0.177) 4.195 15.431 ( -2.702 2.962 -0.166) 4.013 16.061 ( 3.416 1.284 -0.838) 3.744 16.150 ( 4.459 -1.889 2.962) 5.677 16.378 ( 7.088 -8.292 -5.320) 12.137 16.490 ( 7.469 -9.960 3.056) 12.819 ======================= Grid point 21 (14/52) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 5.798 6.978 -0.865) 9.113 1.085 ( 5.226 1.685 1.933) 5.821 1.124 ( 3.911 2.527 0.577) 4.692 1.172 ( 6.998 4.742 -0.732) 8.485 1.270 ( -0.371 2.890 -3.203) 4.330 1.347 ( 0.534 2.145 0.952) 2.407 1.382 ( -0.976 -1.565 0.136) 1.850 1.469 ( -0.446 2.161 -0.693) 2.313 1.485 ( 0.988 0.938 1.044) 1.716 1.552 ( -5.370 3.232 -1.496) 6.443 1.568 ( 2.741 1.836 -0.638) 3.360 1.606 ( -0.364 1.863 4.297) 4.698 1.681 ( -0.122 0.673 -2.527) 2.618 1.692 ( -3.779 0.918 0.159) 3.892 1.789 ( -3.792 2.546 1.128) 4.705 1.920 ( 2.781 4.799 0.442) 5.564 1.949 ( 0.360 2.025 0.820) 2.214 2.042 ( 5.361 6.476 -1.963) 8.633 2.117 ( 1.289 -1.963 0.536) 2.409 2.182 ( 2.999 0.689 -0.572) 3.129 2.222 ( 1.652 0.216 1.108) 2.001 2.265 ( 0.691 0.104 -0.673) 0.970 2.386 ( -2.742 -1.062 -0.074) 2.942 2.427 ( -2.384 -0.803 0.319) 2.536 2.901 ( 0.992 3.697 0.781) 3.906 2.926 ( 0.400 3.659 -0.701) 3.747 3.039 ( -1.162 1.592 0.288) 1.992 3.057 ( -1.124 1.217 -0.212) 1.670 3.210 ( 0.323 4.879 0.224) 4.895 3.231 ( -0.168 2.108 -0.261) 2.130 3.311 ( 1.787 1.419 0.074) 2.283 3.340 ( 1.007 1.391 -0.203) 1.729 3.532 ( -5.990 0.108 -1.296) 6.129 3.595 ( -6.144 -1.629 1.232) 6.474 3.749 ( 0.041 -8.912 -0.338) 8.919 3.759 ( 1.243 -10.765 0.127) 10.837 3.828 ( 2.549 3.196 -0.855) 4.176 3.900 ( 2.230 0.852 1.128) 2.640 3.992 ( -1.692 -2.908 -0.516) 3.404 4.022 ( -2.522 -1.207 0.336) 2.816 4.454 ( 2.616 8.867 -0.045) 9.245 4.466 ( 2.834 8.153 0.060) 8.632 4.639 ( -3.250 4.284 -0.914) 5.454 4.687 ( -2.882 2.895 0.813) 4.165 4.916 ( 4.208 3.021 -0.048) 5.180 4.933 ( 4.438 2.950 0.091) 5.330 5.046 ( -0.118 -2.246 0.493) 2.302 5.092 ( -2.226 -2.805 -0.398) 3.603 5.755 ( 1.061 7.836 0.159) 7.909 5.756 ( 0.796 7.653 -0.104) 7.695 5.802 ( -1.799 4.746 -0.378) 5.089 5.830 ( -1.453 4.779 0.275) 5.002 6.178 ( -5.037 -0.563 -0.286) 5.076 6.185 ( -5.710 -1.026 0.255) 5.807 6.424 ( -0.199 -0.755 0.097) 0.787 6.429 ( -0.185 -0.182 -0.043) 0.263 6.575 ( -2.408 2.423 -1.386) 3.686 6.604 ( -1.126 2.156 1.385) 2.799 6.827 ( -0.392 -4.982 0.325) 5.008 6.896 ( -3.025 -7.054 -0.243) 7.679 7.483 ( -2.259 0.335 -0.404) 2.320 7.535 ( -2.027 -1.680 1.172) 2.882 7.599 ( -0.504 -2.934 -1.683) 3.420 7.684 ( -1.888 -3.840 0.796) 4.353 8.186 ( 3.566 -2.664 0.246) 4.458 8.204 ( 3.483 -2.584 -0.205) 4.342 8.269 ( 1.527 -4.340 0.196) 4.605 8.288 ( 0.927 -5.131 -0.200) 5.218 11.531 ( -0.242 -1.645 -0.158) 1.670 11.536 ( -0.037 -1.714 0.194) 1.725 11.574 ( -0.494 -2.584 0.040) 2.631 11.581 ( -0.604 -2.655 -0.092) 2.725 14.896 ( -1.138 2.045 -0.216) 2.351 14.914 ( -1.156 2.343 0.456) 2.652 15.025 ( -0.663 -0.950 -0.959) 1.504 15.057 ( -0.048 -0.840 0.697) 1.093 15.317 ( 1.354 4.937 0.149) 5.121 15.322 ( 1.575 4.717 -0.107) 4.974 15.360 ( 0.113 4.229 -0.038) 4.231 15.393 ( -1.392 3.751 -0.013) 4.001 16.118 ( 2.502 1.881 -0.554) 3.179 16.246 ( 3.016 -2.263 3.055) 4.852 16.436 ( 2.878 -6.670 -4.989) 8.813 16.623 ( 4.020 -10.837 2.482) 11.822 ======================= Grid point 22 (15/52) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.110 ( 0.000 2.538 -0.000) 2.538 1.110 ( -0.000 5.305 0.000) 5.305 1.217 ( 0.000 -1.090 0.000) 1.090 1.251 ( 0.000 -4.098 0.000) 4.098 1.303 ( 0.000 5.109 -0.000) 5.109 1.317 ( 0.000 6.981 -0.000) 6.981 1.385 ( -0.000 0.934 -0.000) 0.934 1.444 ( 0.000 6.557 0.000) 6.557 1.483 ( -0.000 1.316 0.000) 1.316 1.517 ( -0.000 1.398 0.000) 1.398 1.584 ( 0.000 -2.082 0.000) 2.082 1.619 ( -0.000 -2.192 0.000) 2.192 1.629 ( 0.000 5.215 -0.000) 5.215 1.694 ( 0.000 4.119 0.000) 4.119 1.724 ( -0.000 2.722 -0.000) 2.722 1.944 ( -0.000 -0.365 0.000) 0.365 1.956 ( 0.000 4.622 -0.000) 4.622 2.081 ( 0.000 7.538 0.000) 7.538 2.129 ( 0.000 -2.510 0.000) 2.510 2.216 ( 0.000 0.406 0.000) 0.406 2.251 ( 0.000 0.447 0.000) 0.447 2.272 ( 0.000 -0.154 0.000) 0.154 2.355 ( 0.000 -0.375 0.000) 0.375 2.396 ( 0.000 -0.537 0.000) 0.537 2.919 ( 0.000 4.243 -0.000) 4.243 2.933 ( 0.000 3.866 0.000) 3.866 3.024 ( -0.000 0.240 0.000) 0.240 3.040 ( 0.000 -0.003 0.000) 0.003 3.210 ( 0.000 3.994 0.000) 3.994 3.225 ( 0.000 1.707 0.000) 1.707 3.351 ( -0.000 4.299 0.000) 4.299 3.362 ( -0.000 3.747 -0.000) 3.747 3.448 ( -0.000 -1.166 0.000) 1.166 3.527 ( 0.000 -2.346 0.000) 2.346 3.739 ( 0.000 -9.892 0.000) 9.892 3.770 ( 0.000 -12.699 0.000) 12.699 3.880 ( 0.000 0.838 0.000) 0.838 3.943 ( 0.000 1.399 0.000) 1.399 3.968 ( -0.000 2.340 0.000) 2.340 3.970 ( 0.000 -0.313 0.000) 0.313 4.490 ( 0.000 6.419 0.000) 6.419 4.516 ( 0.000 6.655 0.000) 6.655 4.591 ( 0.000 4.296 0.000) 4.296 4.656 ( 0.000 3.887 -0.000) 3.887 4.973 ( 0.000 4.069 0.000) 4.069 4.990 ( 0.000 3.926 0.000) 3.926 5.026 ( -0.000 -3.895 0.000) 3.895 5.046 ( 0.000 -3.410 -0.000) 3.410 5.766 ( 0.000 5.773 0.000) 5.773 5.779 ( 0.000 6.883 0.000) 6.883 5.786 ( -0.000 5.605 -0.000) 5.605 5.799 ( 0.000 6.121 0.000) 6.121 6.123 ( 0.000 -0.309 -0.000) 0.309 6.128 ( 0.000 -0.987 0.000) 0.987 6.425 ( 0.000 -0.277 0.000) 0.277 6.430 ( 0.000 0.170 0.000) 0.170 6.548 ( 0.000 3.008 0.000) 3.008 6.604 ( 0.000 2.568 0.000) 2.568 6.829 ( 0.000 -5.937 0.000) 5.937 6.866 ( 0.000 -7.865 0.000) 7.865 7.459 ( -0.000 0.533 0.000) 0.533 7.517 ( 0.000 -1.169 0.000) 1.169 7.589 ( -0.000 -2.559 0.000) 2.559 7.661 ( 0.000 -3.469 0.000) 3.469 8.222 ( -0.000 -3.310 0.000) 3.310 8.239 ( 0.000 -3.327 -0.000) 3.327 8.277 ( -0.000 -4.110 0.000) 4.110 8.291 ( 0.000 -4.785 0.000) 4.785 11.528 ( 0.000 -1.715 0.000) 1.715 11.537 ( -0.000 -1.872 0.000) 1.872 11.569 ( 0.000 -2.509 0.000) 2.509 11.574 ( 0.000 -2.553 0.000) 2.553 14.883 ( 0.000 2.022 0.000) 2.022 14.905 ( 0.000 2.574 0.000) 2.574 15.015 ( 0.000 -1.220 0.000) 1.220 15.059 ( 0.000 -0.968 0.000) 0.968 15.333 ( 0.000 4.607 0.000) 4.607 15.345 ( 0.000 4.053 0.000) 4.053 15.359 ( -0.000 4.425 0.000) 4.425 15.376 ( -0.000 4.353 0.000) 4.353 16.141 ( 0.000 2.140 -0.000) 2.140 16.288 ( -0.000 -2.494 -0.000) 2.494 16.445 ( 0.000 -5.742 0.000) 5.742 16.670 ( 0.000 -10.886 -0.000) 10.886 ======================= Grid point 27 (16/52) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.024 ( 0.000 13.915 0.000) 13.915 1.121 ( 0.000 13.778 0.000) 13.778 1.198 ( 0.000 8.486 0.000) 8.486 1.262 ( 0.000 11.529 0.000) 11.529 1.263 ( 0.000 -6.764 0.000) 6.764 1.320 ( 0.000 -3.327 0.000) 3.327 1.361 ( 0.000 -5.559 0.000) 5.559 1.417 ( 0.000 -3.361 0.000) 3.361 1.453 ( 0.000 -0.637 0.000) 0.637 1.482 ( 0.000 -1.342 0.000) 1.342 1.519 ( 0.000 0.827 0.000) 0.827 1.565 ( 0.000 -1.442 0.000) 1.442 1.622 ( 0.000 -0.427 0.000) 0.427 1.666 ( 0.000 0.423 0.000) 0.423 1.720 ( 0.000 -1.979 0.000) 1.979 1.754 ( 0.000 -4.642 0.000) 4.642 1.821 ( 0.000 8.941 0.000) 8.941 1.947 ( 0.000 -0.321 0.000) 0.321 1.984 ( 0.000 1.899 0.000) 1.899 2.000 ( 0.000 -1.000 0.000) 1.000 2.294 ( 0.000 3.931 0.000) 3.931 2.335 ( 0.000 2.218 0.000) 2.218 2.388 ( 0.000 -3.790 0.000) 3.790 2.399 ( 0.000 -2.984 0.000) 2.984 3.089 ( 0.000 2.020 0.000) 2.020 3.134 ( 0.000 -2.467 0.000) 2.467 3.156 ( 0.000 0.191 0.000) 0.191 3.158 ( 0.000 0.710 0.000) 0.710 3.226 ( 0.000 1.377 0.000) 1.377 3.233 ( 0.000 1.686 0.000) 1.686 3.258 ( 0.000 -2.416 0.000) 2.416 3.296 ( 0.000 -3.803 0.000) 3.803 3.627 ( 0.000 -0.523 0.000) 0.523 3.649 ( 0.000 -2.231 0.000) 2.231 3.708 ( 0.000 -0.144 0.000) 0.144 3.750 ( 0.000 -3.290 0.000) 3.290 3.957 ( 0.000 2.874 0.000) 2.874 3.999 ( 0.000 -1.120 0.000) 1.120 4.043 ( 0.000 -0.201 0.000) 0.201 4.056 ( 0.000 -1.567 0.000) 1.567 4.500 ( 0.000 8.167 0.000) 8.167 4.568 ( 0.000 2.337 0.000) 2.337 4.609 ( 0.000 4.971 0.000) 4.971 4.648 ( 0.000 2.133 0.000) 2.133 4.872 ( 0.000 3.192 0.000) 3.192 4.925 ( 0.000 -2.475 0.000) 2.475 4.971 ( 0.000 1.004 0.000) 1.004 4.987 ( 0.000 -1.204 0.000) 1.204 5.765 ( 0.000 6.988 0.000) 6.988 5.778 ( 0.000 7.003 0.000) 7.003 5.886 ( 0.000 -3.752 0.000) 3.752 5.889 ( 0.000 -3.624 0.000) 3.624 6.486 ( 0.000 3.336 0.000) 3.336 6.514 ( 0.000 2.711 0.000) 2.711 6.529 ( 0.000 -0.759 0.000) 0.759 6.556 ( 0.000 -1.148 0.000) 1.148 7.140 ( 0.000 -0.026 0.000) 0.026 7.159 ( 0.000 -1.674 0.000) 1.674 7.168 ( 0.000 0.195 0.000) 0.195 7.190 ( 0.000 -1.806 0.000) 1.806 7.429 ( 0.000 4.237 0.000) 4.237 7.485 ( 0.000 0.452 0.000) 0.452 7.522 ( 0.000 -1.160 0.000) 1.160 7.523 ( 0.000 -2.154 0.000) 2.154 7.817 ( 0.000 -0.457 0.000) 0.457 7.839 ( 0.000 -2.309 0.000) 2.309 7.847 ( 0.000 -1.090 0.000) 1.090 7.876 ( 0.000 -2.884 0.000) 2.884 11.526 ( 0.000 -0.267 0.000) 0.267 11.529 ( 0.000 -0.345 0.000) 0.345 11.541 ( 0.000 -1.599 0.000) 1.599 11.545 ( 0.000 -1.685 0.000) 1.685 15.004 ( 0.000 1.210 0.000) 1.210 15.021 ( 0.000 -0.363 0.000) 0.363 15.056 ( 0.000 1.290 0.000) 1.290 15.073 ( 0.000 -0.252 0.000) 0.252 15.383 ( 0.000 4.251 0.000) 4.251 15.415 ( 0.000 2.191 0.000) 2.191 15.420 ( 0.000 0.588 0.000) 0.588 15.491 ( 0.000 -4.218 0.000) 4.218 15.985 ( 0.000 0.359 0.000) 0.359 16.016 ( 0.000 -2.435 0.000) 2.435 16.086 ( 0.000 0.563 0.000) 0.563 16.116 ( 0.000 -2.092 0.000) 2.092 ======================= Grid point 28 (17/52) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 0.459 12.059 2.285) 12.282 1.122 ( -0.358 9.450 -2.451) 9.770 1.166 ( -0.905 5.339 0.230) 5.420 1.232 ( -0.752 -0.201 0.940) 1.220 1.331 ( -0.318 1.650 0.893) 1.904 1.366 ( 1.554 -4.353 -1.823) 4.968 1.400 ( 6.039 2.993 -1.125) 6.834 1.410 ( 0.444 -1.122 0.085) 1.210 1.478 ( 2.099 -0.714 -0.250) 2.231 1.505 ( 0.611 0.850 0.548) 1.181 1.536 ( 1.436 -0.498 1.581) 2.193 1.574 ( 1.343 -3.550 -0.794) 3.878 1.657 ( 3.847 2.259 0.342) 4.475 1.679 ( 1.896 -0.062 -1.844) 2.645 1.713 ( 1.221 -0.649 0.600) 1.508 1.813 ( 5.021 -6.749 0.816) 8.451 1.876 ( 5.277 8.081 0.904) 9.694 1.976 ( 2.151 1.242 -0.206) 2.492 1.988 ( 1.446 2.288 -1.373) 3.035 2.016 ( 1.790 -2.262 0.882) 3.016 2.286 ( -0.674 3.991 -0.110) 4.049 2.324 ( -1.118 1.795 0.074) 2.116 2.392 ( 0.562 -3.122 -0.452) 3.204 2.404 ( 0.543 -3.005 0.424) 3.083 3.025 ( -4.461 2.593 -0.292) 5.168 3.089 ( -4.945 2.269 0.240) 5.446 3.102 ( -2.744 -3.387 -0.179) 4.362 3.147 ( -3.089 -1.953 0.074) 3.655 3.224 ( 0.354 2.248 0.028) 2.276 3.239 ( 1.747 1.181 -0.962) 2.318 3.293 ( 0.627 -2.166 0.649) 2.347 3.311 ( 1.938 -2.903 0.200) 3.496 3.588 ( -1.750 1.863 0.559) 2.617 3.645 ( -2.113 -0.890 0.198) 2.301 3.682 ( -1.043 -0.634 0.124) 1.227 3.749 ( -1.123 -4.561 -0.454) 4.720 3.942 ( -1.922 2.836 -0.626) 3.482 3.986 ( -1.816 -1.502 0.332) 2.380 4.026 ( -2.100 -0.897 -0.123) 2.287 4.031 ( -2.651 -1.309 0.399) 2.983 4.563 ( 5.797 8.649 -0.498) 10.424 4.591 ( 3.421 6.841 0.808) 7.691 4.694 ( 6.636 1.639 -0.743) 6.875 4.703 ( 5.345 1.560 0.530) 5.593 4.878 ( -0.618 2.328 1.388) 2.780 4.903 ( -1.780 0.325 0.247) 1.826 4.939 ( -2.374 -0.540 -0.812) 2.566 4.985 ( 0.296 -3.514 -1.032) 3.674 5.794 ( 2.639 6.452 0.075) 6.971 5.806 ( 2.712 6.709 -0.141) 7.238 5.896 ( 0.859 -2.644 -0.168) 2.785 5.909 ( 1.490 -2.963 0.211) 3.323 6.445 ( -4.211 3.382 -0.112) 5.402 6.475 ( -4.189 3.050 -0.036) 5.182 6.499 ( -3.460 -1.541 0.012) 3.787 6.526 ( -3.723 -1.641 0.189) 4.073 6.911 ( -14.914 2.433 -0.230) 15.113 6.944 ( -13.771 2.607 0.330) 14.019 6.977 ( -13.374 -3.353 -0.617) 13.801 7.027 ( -11.732 -4.902 0.606) 12.729 7.527 ( 2.353 2.301 -1.629) 3.672 7.541 ( 3.868 1.348 1.643) 4.413 7.570 ( 1.605 -2.124 -0.543) 2.717 7.615 ( 1.912 -4.569 0.388) 4.968 7.892 ( 8.493 2.160 0.103) 8.764 7.928 ( 8.896 0.625 0.020) 8.918 7.962 ( 8.668 -3.325 -0.056) 9.284 7.979 ( 8.504 -4.043 -0.115) 9.417 11.524 ( -0.239 -0.176 0.043) 0.300 11.526 ( -0.292 -0.283 -0.055) 0.410 11.541 ( -0.030 -1.730 0.009) 1.731 11.542 ( -0.210 -1.708 0.017) 1.721 14.991 ( -1.236 1.388 0.288) 1.880 15.008 ( -1.115 0.043 -0.389) 1.182 15.048 ( -0.869 0.682 0.611) 1.262 15.062 ( -0.889 -0.419 -0.402) 1.062 15.383 ( 0.026 3.892 -0.143) 3.895 15.403 ( -0.570 2.562 -0.741) 2.727 15.417 ( -0.534 0.933 0.908) 1.407 15.475 ( -1.384 -2.956 -0.048) 3.264 16.030 ( 3.973 1.303 0.987) 4.296 16.060 ( 3.837 0.009 -1.067) 3.983 16.122 ( 4.648 -1.372 0.574) 4.880 16.180 ( 5.350 -5.135 -0.609) 7.440 ======================= Grid point 29 (18/52) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.085 ( 3.141 7.354 2.309) 8.323 1.107 ( 1.127 6.436 -1.877) 6.799 1.160 ( -0.444 3.392 1.315) 3.665 1.204 ( -1.546 -0.684 -0.752) 1.851 1.332 ( 0.216 1.104 -0.270) 1.157 1.365 ( 0.634 -0.481 0.491) 0.935 1.422 ( 1.106 1.128 -2.387) 2.863 1.448 ( 0.063 2.566 0.622) 2.641 1.494 ( 0.893 -3.761 -0.613) 3.914 1.540 ( 0.548 1.658 1.017) 2.021 1.568 ( 0.149 -2.975 0.625) 3.044 1.581 ( 0.963 -2.554 0.057) 2.731 1.705 ( 1.809 1.660 -1.551) 2.904 1.756 ( 1.735 -0.735 -0.145) 1.890 1.786 ( 6.134 4.481 1.405) 7.725 1.919 ( 2.872 -4.549 1.772) 5.664 1.978 ( 2.252 2.518 -0.764) 3.463 2.009 ( 3.013 0.628 -1.579) 3.459 2.053 ( 6.919 4.158 0.469) 8.086 2.105 ( 5.757 -0.558 0.575) 5.812 2.268 ( -0.938 3.360 -0.487) 3.522 2.296 ( -1.662 1.118 0.050) 2.004 2.397 ( 0.034 -1.067 -0.540) 1.197 2.419 ( 0.243 -2.365 0.528) 2.436 2.958 ( -1.558 3.401 -0.229) 3.748 3.009 ( -2.477 2.622 0.430) 3.632 3.057 ( -1.440 -3.690 -0.682) 4.020 3.086 ( -2.592 -2.277 0.573) 3.497 3.234 ( 1.231 2.029 -0.686) 2.470 3.272 ( 0.848 2.903 0.618) 3.086 3.302 ( 1.229 -2.314 -0.088) 2.622 3.338 ( 0.729 -1.548 0.129) 1.716 3.563 ( -2.206 -0.174 0.756) 2.339 3.613 ( -1.375 -1.263 0.740) 2.008 3.638 ( -4.546 -1.910 -1.013) 5.034 3.685 ( -4.435 -3.478 -0.915) 5.710 3.903 ( -0.736 2.754 0.353) 2.873 3.934 ( -2.760 1.158 0.204) 3.000 3.962 ( -2.293 -1.593 -0.199) 2.799 3.994 ( -1.422 -2.876 0.081) 3.209 4.658 ( 3.017 10.892 0.281) 11.306 4.675 ( 3.004 10.706 -0.113) 11.120 4.788 ( 0.677 3.656 -0.180) 3.722 4.813 ( 2.693 1.733 -0.233) 3.211 4.856 ( -0.925 -0.930 0.426) 1.379 4.864 ( 1.670 0.713 -0.387) 1.857 4.934 ( 1.442 -4.126 1.479) 4.614 4.999 ( 1.870 -6.155 -1.266) 6.556 5.848 ( 2.196 4.522 0.002) 5.027 5.861 ( 2.339 4.812 -0.318) 5.359 5.903 ( -0.458 0.309 0.186) 0.583 5.921 ( -0.912 0.154 0.061) 0.927 6.335 ( -6.203 3.099 -0.031) 6.934 6.351 ( -7.537 2.710 -0.006) 8.009 6.407 ( -4.711 -3.150 0.134) 5.668 6.420 ( -5.351 -3.241 -0.073) 6.256 6.705 ( -6.082 3.339 0.536) 6.959 6.739 ( -6.632 3.500 -0.915) 7.555 6.790 ( -5.778 -3.587 0.704) 6.838 6.850 ( -6.410 -5.934 -0.245) 8.739 7.530 ( -0.777 0.373 -0.368) 0.937 7.560 ( -1.588 1.864 0.381) 2.478 7.563 ( -1.129 -2.645 -1.021) 3.052 7.621 ( -0.762 -3.453 0.949) 3.661 8.061 ( 6.917 0.864 0.535) 6.991 8.086 ( 6.491 0.462 -0.521) 6.528 8.112 ( 5.928 -3.607 -0.045) 6.940 8.129 ( 5.768 -3.573 -0.006) 6.785 11.518 ( -0.427 -0.180 -0.042) 0.465 11.519 ( -0.371 -0.092 0.050) 0.385 11.535 ( -0.445 -1.710 -0.028) 1.767 11.539 ( -0.330 -1.870 0.017) 1.899 14.967 ( -1.336 1.749 0.157) 2.206 14.980 ( -1.363 0.937 0.005) 1.654 15.031 ( -1.251 -0.538 -0.232) 1.381 15.039 ( -1.050 -0.806 0.127) 1.330 15.385 ( 0.503 3.318 -0.274) 3.367 15.396 ( 0.201 2.830 -0.110) 2.839 15.417 ( 0.153 1.230 0.343) 1.286 15.450 ( -1.020 -1.060 0.015) 1.472 16.127 ( 4.649 4.480 0.462) 6.473 16.143 ( 5.065 1.366 0.239) 5.251 16.235 ( 5.936 -4.588 -1.874) 7.733 16.292 ( 5.780 -8.081 1.118) 9.998 ======================= Grid point 30 (19/52) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 1.719 2.286 -0.788) 2.967 1.148 ( -0.249 0.014 0.873) 0.908 1.158 ( 1.457 2.304 1.547) 3.134 1.211 ( 0.675 -2.308 -0.565) 2.470 1.360 ( 4.824 6.851 -2.010) 8.617 1.394 ( 1.183 2.540 0.941) 2.956 1.442 ( 1.792 4.211 -0.941) 4.672 1.456 ( 1.276 -1.463 0.956) 2.164 1.523 ( 0.849 -3.251 -1.032) 3.515 1.528 ( -1.018 0.308 0.353) 1.121 1.569 ( 1.055 -1.047 -0.394) 1.537 1.600 ( -0.166 -2.103 0.880) 2.286 1.720 ( 0.575 2.889 0.167) 2.950 1.756 ( -1.567 1.270 -0.100) 2.019 1.832 ( -2.097 3.236 0.806) 3.940 1.919 ( -2.834 -3.339 1.022) 4.498 2.009 ( 2.525 3.183 -1.368) 4.287 2.067 ( 2.627 -2.175 -0.849) 3.515 2.172 ( 3.537 3.715 0.715) 5.179 2.202 ( 3.418 0.481 0.344) 3.469 2.255 ( 0.147 1.938 -0.125) 1.948 2.273 ( -0.185 0.168 -0.362) 0.440 2.384 ( -0.956 0.857 0.101) 1.288 2.408 ( -1.376 -1.055 0.191) 1.744 2.963 ( 1.456 2.807 0.110) 3.164 2.993 ( -0.304 2.450 0.104) 2.471 3.032 ( -0.833 -2.670 -0.612) 2.863 3.046 ( -2.319 -1.521 0.582) 2.834 3.257 ( 0.903 2.834 -0.380) 2.999 3.282 ( 0.656 3.529 0.257) 3.598 3.343 ( 2.182 -2.028 -0.131) 2.982 3.359 ( 1.554 -1.284 0.091) 2.018 3.505 ( -4.887 -2.122 -1.679) 5.586 3.525 ( -2.860 -1.850 0.837) 3.508 3.571 ( -4.830 -4.673 -0.430) 6.734 3.584 ( -3.673 -4.289 0.985) 5.732 3.919 ( 1.996 4.118 -0.661) 4.624 3.936 ( 2.470 1.434 0.816) 2.970 3.957 ( 1.158 -0.849 0.305) 1.468 3.989 ( 0.740 -2.266 -0.393) 2.416 4.680 ( 0.089 9.626 0.380) 9.634 4.695 ( 0.292 10.593 -0.569) 10.613 4.749 ( -2.707 4.692 -0.579) 5.448 4.773 ( -2.392 4.279 0.860) 4.977 4.905 ( 2.496 -3.148 -0.074) 4.018 4.926 ( 2.057 -1.061 -0.168) 2.321 4.972 ( 1.157 -5.280 0.687) 5.448 5.011 ( -0.715 -5.620 -0.546) 5.692 5.856 ( -1.092 2.458 0.363) 2.714 5.870 ( -0.762 1.258 0.203) 1.484 5.873 ( -1.966 3.097 -0.326) 3.683 5.897 ( -1.478 1.135 -0.200) 1.874 6.242 ( -2.456 5.897 -0.449) 6.404 6.246 ( -2.612 5.874 0.466) 6.445 6.365 ( 0.092 -4.667 0.018) 4.668 6.377 ( 0.275 -4.924 0.011) 4.932 6.640 ( -2.047 3.337 -0.706) 3.978 6.659 ( -1.558 2.713 0.661) 3.197 6.728 ( -1.834 -3.778 0.431) 4.222 6.755 ( -3.425 -5.401 -0.382) 6.407 7.510 ( -0.984 1.249 0.475) 1.660 7.515 ( -1.777 0.522 -0.353) 1.886 7.546 ( -0.573 -1.275 -0.565) 1.508 7.598 ( -1.788 -4.031 0.415) 4.429 8.152 ( 2.500 -0.191 0.288) 2.523 8.166 ( 2.376 -0.507 -0.276) 2.445 8.185 ( 1.793 -3.109 0.164) 3.593 8.194 ( 1.435 -3.124 -0.182) 3.442 11.510 ( -0.329 -0.158 -0.050) 0.368 11.513 ( -0.241 -0.211 0.063) 0.327 11.526 ( -0.385 -1.668 0.018) 1.712 11.531 ( -0.428 -1.764 -0.041) 1.815 14.942 ( -0.985 2.166 -0.301) 2.398 14.964 ( -0.569 1.579 0.942) 1.924 14.999 ( -1.249 -0.804 -1.158) 1.884 15.027 ( -0.569 -1.888 0.504) 2.035 15.400 ( 0.945 2.657 -0.088) 2.822 15.407 ( 0.793 2.648 0.024) 2.764 15.424 ( 0.398 1.298 -0.298) 1.390 15.438 ( -0.377 0.336 0.362) 0.621 16.202 ( 2.967 5.420 -0.235) 6.184 16.238 ( 3.536 2.106 1.466) 4.369 16.308 ( 3.106 -4.704 -2.536) 6.181 16.398 ( 3.744 -9.691 1.306) 10.471 ======================= Grid point 31 (20/52) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -0.000 0.654 0.000) 0.654 1.160 ( -0.000 -1.422 -0.000) 1.422 1.190 ( 0.000 -0.301 0.000) 0.301 1.195 ( -0.000 -0.641 0.000) 0.641 1.414 ( 0.000 4.159 -0.000) 4.159 1.416 ( -0.000 2.094 0.000) 2.094 1.464 ( 0.000 3.856 0.000) 3.856 1.493 ( -0.000 0.572 -0.000) 0.572 1.511 ( 0.000 -0.236 0.000) 0.236 1.539 ( -0.000 -3.096 0.000) 3.096 1.563 ( -0.000 3.690 0.000) 3.690 1.604 ( 0.000 0.651 0.000) 0.651 1.719 ( 0.000 2.770 0.000) 2.770 1.750 ( 0.000 -0.180 0.000) 0.180 1.784 ( -0.000 4.069 0.000) 4.069 1.878 ( 0.000 -4.832 0.000) 4.832 2.035 ( 0.000 3.059 0.000) 3.059 2.087 ( 0.000 -1.768 0.000) 1.768 2.203 ( 0.000 3.545 0.000) 3.545 2.232 ( 0.000 0.472 -0.000) 0.472 2.265 ( 0.000 0.808 0.000) 0.808 2.277 ( 0.000 -0.167 0.000) 0.167 2.375 ( 0.000 1.434 0.000) 1.434 2.390 ( 0.000 -0.192 0.000) 0.192 2.987 ( 0.000 1.989 -0.000) 1.989 2.988 ( 0.000 1.682 0.000) 1.682 3.013 ( -0.000 -1.020 0.000) 1.020 3.021 ( 0.000 -1.406 0.000) 1.406 3.263 ( 0.000 2.943 0.000) 2.943 3.294 ( 0.000 4.060 0.000) 4.060 3.361 ( 0.000 -4.164 -0.000) 4.164 3.383 ( -0.000 -2.345 0.000) 2.345 3.439 ( -0.000 0.966 0.000) 0.966 3.503 ( 0.000 0.363 0.000) 0.363 3.507 ( 0.000 -7.182 0.000) 7.182 3.558 ( -0.000 -5.881 0.000) 5.881 3.949 ( 0.000 3.476 0.000) 3.476 3.971 ( 0.000 0.999 -0.000) 0.999 3.981 ( 0.000 0.269 0.000) 0.269 3.993 ( 0.000 -0.399 0.000) 0.399 4.691 ( -0.000 9.375 -0.000) 9.375 4.696 ( 0.000 5.184 0.000) 5.184 4.714 ( -0.000 8.836 0.000) 8.836 4.749 ( 0.000 4.341 -0.000) 4.341 4.922 ( 0.000 -3.406 0.000) 3.406 4.954 ( -0.000 -4.186 0.000) 4.186 4.982 ( -0.000 -4.072 -0.000) 4.072 4.985 ( 0.000 -4.664 0.000) 4.664 5.848 ( -0.000 1.369 -0.000) 1.369 5.851 ( 0.000 1.761 0.000) 1.761 5.863 ( -0.000 1.289 0.000) 1.289 5.866 ( 0.000 1.578 0.000) 1.578 6.224 ( 0.000 7.956 0.000) 7.956 6.230 ( 0.000 8.067 0.000) 8.067 6.373 ( 0.000 -5.055 0.000) 5.055 6.387 ( 0.000 -4.990 -0.000) 4.990 6.614 ( 0.000 3.254 0.000) 3.254 6.657 ( 0.000 2.473 0.000) 2.473 6.704 ( -0.000 -5.561 0.000) 5.561 6.723 ( 0.000 -4.387 0.000) 4.387 7.492 ( -0.000 2.307 0.000) 2.307 7.510 ( 0.000 0.991 0.000) 0.991 7.534 ( 0.000 -2.295 -0.000) 2.295 7.577 ( -0.000 -4.135 0.000) 4.135 8.175 ( -0.000 -0.711 0.000) 0.711 8.187 ( 0.000 -1.127 0.000) 1.127 8.199 ( 0.000 -2.759 0.000) 2.759 8.203 ( 0.000 -2.747 0.000) 2.747 11.506 ( 0.000 -0.169 0.000) 0.169 11.511 ( -0.000 -0.352 0.000) 0.352 11.522 ( 0.000 -1.609 0.000) 1.609 11.526 ( 0.000 -1.658 0.000) 1.658 14.931 ( 0.000 2.352 0.000) 2.352 14.965 ( 0.000 2.921 0.000) 2.921 14.979 ( -0.000 -2.042 -0.000) 2.042 15.023 ( 0.000 -2.297 0.000) 2.297 15.411 ( 0.000 2.254 0.000) 2.254 15.418 ( 0.000 2.552 -0.000) 2.552 15.424 ( 0.000 1.196 0.000) 1.196 15.436 ( -0.000 1.041 0.000) 1.041 16.231 ( 0.000 5.520 -0.000) 5.520 16.280 ( -0.000 2.809 -0.000) 2.809 16.328 ( 0.000 -4.845 0.000) 4.845 16.440 ( 0.000 -10.121 -0.000) 10.121 ======================= Grid point 63 (21/52) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.285 ( -0.640 0.000 13.654) 13.669 0.286 ( -9.651 0.000 14.196) 17.166 0.500 ( -3.059 0.000 -1.447) 3.384 0.540 ( 7.579 0.000 -10.741) 13.146 0.596 ( 3.899 0.000 19.640) 20.023 1.039 ( 0.956 0.000 -18.051) 18.076 1.301 ( -4.601 0.000 4.201) 6.230 1.352 ( 1.672 0.000 0.530) 1.754 1.430 ( 2.144 0.000 -1.041) 2.383 1.455 ( -0.805 0.000 -2.057) 2.209 1.492 ( 1.655 0.000 2.244) 2.788 1.548 ( -2.355 0.000 -3.078) 3.875 1.620 ( -1.991 0.000 1.790) 2.677 1.639 ( 2.152 0.000 0.722) 2.270 1.661 ( 0.546 0.000 1.769) 1.852 1.720 ( -1.654 0.000 -3.456) 3.832 1.828 ( 0.593 0.000 1.247) 1.381 1.849 ( -0.706 0.000 -0.890) 1.135 1.983 ( -1.291 0.000 0.495) 1.382 1.989 ( 0.723 0.000 -0.072) 0.727 2.189 ( -0.547 0.000 2.125) 2.194 2.237 ( 0.607 0.000 -2.435) 2.510 2.288 ( -0.492 0.000 0.912) 1.036 2.304 ( 0.213 0.000 -0.510) 0.553 2.728 ( 1.623 0.000 3.285) 3.664 2.791 ( -7.078 0.000 -2.605) 7.542 3.002 ( -0.505 0.000 -0.138) 0.523 3.002 ( 3.095 0.000 -0.165) 3.100 3.074 ( 0.480 0.000 0.404) 0.628 3.078 ( -0.609 0.000 0.079) 0.614 3.372 ( 3.692 0.000 0.629) 3.745 3.386 ( -10.679 0.000 -0.719) 10.703 3.664 ( 0.914 0.000 0.869) 1.261 3.681 ( -0.743 0.000 -0.769) 1.069 3.845 ( -13.208 0.000 0.965) 13.243 3.867 ( 33.100 0.000 -1.074) 33.118 3.987 ( 0.446 0.000 0.168) 0.476 3.988 ( -0.277 0.000 0.110) 0.298 4.030 ( -0.549 0.000 0.250) 0.603 4.036 ( 1.431 0.000 -0.338) 1.470 4.201 ( -2.401 0.000 0.631) 2.482 4.217 ( 2.335 0.000 -0.898) 2.501 4.538 ( -0.261 0.000 0.732) 0.778 4.552 ( 3.590 0.000 -0.553) 3.633 4.571 ( 5.776 0.000 2.168) 6.170 4.615 ( -27.916 0.000 -1.905) 27.981 5.084 ( 7.792 0.000 0.096) 7.793 5.088 ( -2.651 0.000 -0.207) 2.659 5.354 ( 0.205 0.000 -0.009) 0.205 5.355 ( -0.281 0.000 -0.078) 0.292 5.930 ( 0.549 0.000 0.502) 0.744 5.941 ( -0.569 0.000 -0.515) 0.768 6.229 ( -0.494 0.000 0.093) 0.503 6.231 ( 0.492 0.000 -0.088) 0.500 6.507 ( 0.434 0.000 0.125) 0.452 6.510 ( -0.105 0.000 -0.123) 0.162 7.135 ( -0.017 0.000 0.047) 0.050 7.135 ( -0.002 0.000 -0.039) 0.039 7.265 ( 2.125 0.000 0.132) 2.129 7.268 ( -5.290 0.000 -0.126) 5.292 7.328 ( 0.975 0.000 0.171) 0.990 7.332 ( -0.902 0.000 -0.212) 0.926 7.624 ( 0.765 0.000 0.069) 0.768 7.625 ( -0.209 0.000 -0.034) 0.211 7.963 ( 0.484 0.000 0.215) 0.529 7.969 ( -0.343 0.000 -0.280) 0.443 8.039 ( -3.359 0.000 0.521) 3.399 8.050 ( 8.804 0.000 -0.446) 8.816 11.600 ( 0.122 0.000 0.119) 0.170 11.603 ( -0.120 0.000 -0.119) 0.168 11.660 ( -0.085 0.000 0.056) 0.101 11.661 ( 0.136 0.000 -0.052) 0.146 14.995 ( -1.731 0.000 0.043) 1.731 14.996 ( 0.680 0.000 -0.061) 0.683 15.020 ( 0.098 0.000 0.197) 0.220 15.024 ( -0.067 0.000 -0.155) 0.168 15.074 ( 0.142 0.000 0.166) 0.218 15.078 ( -0.150 0.000 -0.187) 0.240 15.254 ( 15.300 0.000 0.013) 15.300 15.254 ( -5.185 0.000 -0.007) 5.185 16.077 ( 2.717 0.000 0.846) 2.846 16.100 ( -4.486 0.000 -1.360) 4.687 16.242 ( 14.466 0.000 2.099) 14.617 16.281 ( -30.411 0.000 -1.585) 30.452 ======================= Grid point 64 (22/52) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 15.096 0.000 -2.505) 15.302 0.466 ( 14.294 0.000 7.258) 16.032 0.694 ( 15.746 0.000 -1.762) 15.844 0.699 ( 4.438 0.000 -14.318) 14.990 0.892 ( 12.877 0.000 16.726) 21.108 1.035 ( 10.428 0.000 -4.688) 11.433 1.312 ( 4.480 0.000 -0.704) 4.535 1.390 ( 2.550 0.000 1.224) 2.829 1.446 ( 1.510 0.000 -2.422) 2.854 1.466 ( -2.878 0.000 -3.467) 4.505 1.475 ( 2.474 0.000 -0.254) 2.487 1.523 ( -0.009 0.000 3.578) 3.578 1.595 ( -1.858 0.000 0.352) 1.891 1.668 ( 1.065 0.000 -0.130) 1.073 1.694 ( -1.855 0.000 -2.878) 3.424 1.705 ( 1.119 0.000 3.199) 3.390 1.850 ( -1.111 0.000 0.106) 1.116 1.908 ( 2.349 0.000 -1.497) 2.786 2.025 ( 4.379 0.000 -0.125) 4.381 2.069 ( 5.926 0.000 0.661) 5.963 2.208 ( 1.054 0.000 2.551) 2.760 2.233 ( 0.225 0.000 -2.442) 2.453 2.366 ( 6.922 0.000 0.781) 6.966 2.384 ( 7.790 0.000 -0.692) 7.820 2.583 ( -4.238 0.000 1.170) 4.397 2.586 ( -8.399 0.000 0.498) 8.414 3.007 ( 0.358 0.000 -0.236) 0.429 3.011 ( -0.771 0.000 0.275) 0.819 3.034 ( -1.284 0.000 0.775) 1.500 3.044 ( -0.835 0.000 -1.141) 1.413 3.451 ( -0.957 0.000 0.046) 0.958 3.570 ( -8.556 0.000 -0.920) 8.606 3.625 ( -3.344 0.000 -2.308) 4.063 3.636 ( 1.810 0.000 4.919) 5.242 3.834 ( 9.456 0.000 -0.838) 9.493 3.936 ( -3.731 0.000 -0.196) 3.736 3.958 ( 1.303 0.000 -0.233) 1.324 4.010 ( -1.573 0.000 -0.200) 1.586 4.022 ( -1.152 0.000 0.232) 1.175 4.172 ( 2.035 0.000 -0.474) 2.089 4.274 ( 3.326 0.000 -0.751) 3.409 4.301 ( -6.099 0.000 5.466) 8.190 4.529 ( 19.010 0.000 -15.255) 24.374 4.541 ( 2.916 0.000 0.924) 3.059 4.638 ( 4.953 0.000 1.161) 5.088 4.874 ( 5.488 0.000 10.130) 11.521 4.994 ( -0.784 0.000 1.433) 1.634 5.136 ( 0.015 0.000 -6.250) 6.250 5.388 ( 2.952 0.000 -0.036) 2.952 5.396 ( 2.847 0.000 0.230) 2.856 5.879 ( -4.878 0.000 -0.280) 4.886 5.897 ( -4.374 0.000 0.417) 4.394 6.240 ( 1.184 0.000 -0.212) 1.203 6.266 ( 2.187 0.000 0.110) 2.189 6.476 ( -2.899 0.000 -0.218) 2.907 6.476 ( -3.035 0.000 0.157) 3.039 6.909 ( -11.899 0.000 -2.508) 12.161 6.914 ( -11.116 0.000 2.916) 11.492 7.094 ( -10.975 0.000 -1.520) 11.079 7.173 ( -6.907 0.000 -1.855) 7.152 7.570 ( 10.957 0.000 2.776) 11.303 7.600 ( 3.125 0.000 -1.618) 3.519 7.779 ( 3.379 0.000 -5.517) 6.470 7.839 ( 9.556 0.000 5.645) 11.099 7.930 ( 11.102 0.000 1.326) 11.181 7.936 ( 5.793 0.000 0.136) 5.794 8.125 ( 7.344 0.000 -0.353) 7.352 8.264 ( 8.970 0.000 -4.589) 10.076 11.596 ( -0.456 0.000 -0.173) 0.488 11.599 ( -0.339 0.000 0.268) 0.432 11.664 ( 0.026 0.000 0.189) 0.191 11.666 ( 0.304 0.000 -0.567) 0.643 14.943 ( -3.077 0.000 1.248) 3.320 14.958 ( -3.584 0.000 -1.127) 3.757 15.026 ( 0.223 0.000 -0.059) 0.231 15.026 ( 0.345 0.000 0.113) 0.364 15.088 ( 1.596 0.000 0.045) 1.597 15.092 ( 1.679 0.000 0.050) 1.680 15.200 ( 1.053 0.000 -1.380) 1.736 15.314 ( -3.216 0.000 -0.316) 3.231 16.034 ( -0.524 0.000 0.609) 0.803 16.189 ( 7.646 0.000 1.213) 7.741 16.307 ( 13.512 0.000 -10.901) 17.360 16.680 ( 16.922 0.000 10.739) 20.042 ======================= Grid point 65 (23/52) ======================= q-point: ( 0.25 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.654 ( 6.048 0.000 -12.992) 14.331 0.698 ( 15.870 0.000 -2.597) 16.081 0.823 ( 14.811 0.000 5.669) 15.859 0.933 ( 9.343 0.000 -0.213) 9.345 1.145 ( -1.385 0.000 4.003) 4.236 1.222 ( 11.118 0.000 6.107) 12.685 1.387 ( 3.215 0.000 -2.979) 4.383 1.421 ( -0.215 0.000 1.046) 1.068 1.465 ( 4.010 0.000 1.214) 4.190 1.476 ( -2.485 0.000 0.726) 2.589 1.513 ( 4.954 0.000 -4.374) 6.608 1.539 ( -2.633 0.000 -1.345) 2.956 1.588 ( 3.106 0.000 2.701) 4.116 1.627 ( -2.445 0.000 -0.778) 2.566 1.664 ( -2.998 0.000 0.196) 3.004 1.776 ( -5.271 0.000 1.214) 5.409 1.799 ( 9.139 0.000 -1.035) 9.198 1.901 ( -1.347 0.000 -1.515) 2.028 2.104 ( 2.773 0.000 0.191) 2.780 2.165 ( 2.327 0.000 0.748) 2.444 2.229 ( 2.115 0.000 -3.276) 3.899 2.257 ( 1.979 0.000 3.107) 3.684 2.497 ( -2.926 0.000 1.200) 3.163 2.523 ( 8.374 0.000 0.020) 8.374 2.547 ( -1.698 0.000 -0.202) 1.710 2.558 ( 9.358 0.000 -0.854) 9.397 3.007 ( 0.593 0.000 0.334) 0.680 3.013 ( 1.289 0.000 -0.380) 1.344 3.021 ( -0.631 0.000 -1.360) 1.499 3.026 ( -0.524 0.000 1.078) 1.198 3.383 ( -5.004 0.000 1.435) 5.206 3.409 ( -7.189 0.000 -1.084) 7.270 3.549 ( -2.460 0.000 -2.117) 3.246 3.617 ( -3.806 0.000 2.499) 4.554 3.854 ( -1.722 0.000 0.946) 1.965 3.862 ( -2.839 0.000 -0.665) 2.916 3.986 ( 0.230 0.000 -0.603) 0.646 3.999 ( 1.008 0.000 -0.063) 1.010 4.052 ( 2.086 0.000 -0.758) 2.219 4.186 ( -5.218 0.000 0.037) 5.218 4.281 ( 4.885 0.000 3.667) 6.108 4.330 ( 3.390 0.000 -1.233) 3.608 4.670 ( 7.086 0.000 0.752) 7.125 4.674 ( 2.199 0.000 -2.893) 3.634 4.735 ( 5.490 0.000 -0.561) 5.518 4.765 ( -7.606 0.000 0.223) 7.610 5.078 ( 0.020 0.000 -7.432) 7.432 5.124 ( 0.397 0.000 8.257) 8.266 5.437 ( 1.025 0.000 0.539) 1.159 5.443 ( 2.283 0.000 -0.003) 2.283 5.764 ( -6.486 0.000 0.001) 6.486 5.778 ( -7.237 0.000 0.009) 7.237 6.260 ( 0.800 0.000 -0.370) 0.881 6.295 ( 0.328 0.000 0.318) 0.457 6.418 ( -2.186 0.000 -0.503) 2.243 6.419 ( -2.435 0.000 0.507) 2.487 6.669 ( -10.357 0.000 -1.588) 10.478 6.750 ( -8.975 0.000 3.107) 9.497 6.942 ( -3.053 0.000 -0.186) 3.058 7.079 ( -1.660 0.000 -1.760) 2.420 7.558 ( -3.359 0.000 -0.973) 3.497 7.685 ( -5.617 0.000 -2.964) 6.351 7.711 ( 1.602 0.000 3.956) 4.268 7.858 ( -2.518 0.000 -0.233) 2.529 8.126 ( 9.599 0.000 -1.042) 9.656 8.177 ( 7.120 0.000 1.111) 7.206 8.322 ( 8.027 0.000 3.440) 8.733 8.362 ( 4.380 0.000 -2.759) 5.177 11.586 ( -0.348 0.000 -0.195) 0.399 11.595 ( -0.135 0.000 0.251) 0.285 11.661 ( -0.402 0.000 -0.487) 0.632 11.662 ( -0.477 0.000 0.352) 0.593 14.891 ( -2.395 0.000 -0.862) 2.546 14.892 ( -2.636 0.000 0.777) 2.748 15.029 ( 0.103 0.000 0.096) 0.140 15.032 ( 0.233 0.000 -0.067) 0.243 15.131 ( 2.473 0.000 0.255) 2.486 15.135 ( 2.607 0.000 -0.175) 2.612 15.227 ( 1.302 0.000 0.158) 1.311 15.269 ( -1.275 0.000 -0.303) 1.310 16.069 ( 2.689 0.000 1.568) 3.113 16.315 ( 4.811 0.000 -3.734) 6.091 16.459 ( 7.694 0.000 -1.167) 7.782 16.913 ( 3.787 0.000 4.285) 5.719 ======================= Grid point 66 (24/52) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 10.268 0.000 -0.783) 10.298 0.969 ( 12.875 0.000 -1.260) 12.937 1.063 ( 5.585 0.000 -2.542) 6.136 1.073 ( 2.706 0.000 3.016) 4.052 1.136 ( 3.774 0.000 4.274) 5.702 1.328 ( -2.087 0.000 -2.224) 3.050 1.379 ( -1.744 0.000 -2.196) 2.804 1.410 ( -4.339 0.000 1.486) 4.586 1.464 ( -1.236 0.000 -2.213) 2.534 1.467 ( 2.447 0.000 1.889) 3.091 1.544 ( -6.929 0.000 -1.673) 7.128 1.556 ( -1.995 0.000 0.657) 2.101 1.574 ( 5.759 0.000 -4.463) 7.286 1.585 ( 1.114 0.000 8.030) 8.106 1.699 ( 6.642 0.000 -1.656) 6.845 1.714 ( -2.398 0.000 2.236) 3.279 1.852 ( -2.466 0.000 -2.980) 3.868 1.921 ( 0.458 0.000 0.801) 0.922 2.138 ( 1.399 0.000 0.566) 1.509 2.179 ( 0.669 0.000 -1.252) 1.419 2.287 ( 5.199 0.000 -2.988) 5.997 2.309 ( 1.100 0.000 3.061) 3.253 2.448 ( -2.823 0.000 0.419) 2.854 2.479 ( -4.933 0.000 0.150) 4.935 2.668 ( 5.597 0.000 0.415) 5.612 2.698 ( 5.158 0.000 -0.758) 5.213 2.992 ( -1.295 0.000 -0.372) 1.347 3.014 ( -1.002 0.000 0.222) 1.026 3.057 ( 4.179 0.000 -0.476) 4.206 3.074 ( 4.631 0.000 0.276) 4.640 3.280 ( -5.634 0.000 -0.840) 5.696 3.295 ( -5.160 0.000 1.014) 5.258 3.523 ( 1.424 0.000 -1.665) 2.191 3.542 ( -4.854 0.000 2.662) 5.536 3.835 ( -0.426 0.000 0.528) 0.679 3.850 ( 1.225 0.000 -0.782) 1.453 3.969 ( -1.972 0.000 -0.813) 2.133 3.997 ( -3.929 0.000 0.536) 3.965 4.097 ( 3.354 0.000 0.090) 3.355 4.104 ( -0.041 0.000 -0.045) 0.061 4.399 ( 4.349 0.000 -0.285) 4.359 4.411 ( 5.737 0.000 0.853) 5.800 4.591 ( -6.507 0.000 -0.093) 6.508 4.609 ( -5.371 0.000 0.089) 5.372 4.844 ( 6.064 0.000 0.769) 6.113 4.847 ( 5.319 0.000 -0.722) 5.367 5.057 ( 0.893 0.000 -3.999) 4.098 5.101 ( -5.011 0.000 3.235) 5.965 5.454 ( 0.960 0.000 0.605) 1.135 5.473 ( 1.369 0.000 -0.347) 1.412 5.650 ( -5.061 0.000 0.162) 5.064 5.651 ( -5.354 0.000 -0.178) 5.357 6.260 ( -0.481 0.000 -0.141) 0.501 6.276 ( -1.939 0.000 0.142) 1.944 6.398 ( 0.059 0.000 -0.276) 0.282 6.399 ( -0.069 0.000 0.194) 0.206 6.522 ( -4.098 0.000 -0.139) 4.100 6.611 ( -5.896 0.000 0.046) 5.896 6.950 ( 2.165 0.000 1.867) 2.858 7.067 ( 0.775 0.000 -1.560) 1.742 7.497 ( -2.466 0.000 0.589) 2.535 7.574 ( -3.630 0.000 -2.422) 4.364 7.710 ( -2.795 0.000 2.923) 4.045 7.781 ( -4.003 0.000 -1.313) 4.213 8.266 ( 5.540 0.000 -0.475) 5.560 8.290 ( 4.292 0.000 0.493) 4.320 8.404 ( 1.180 0.000 -1.254) 1.722 8.406 ( 0.002 0.000 1.372) 1.372 11.584 ( 0.176 0.000 -0.019) 0.177 11.597 ( 0.129 0.000 -0.031) 0.133 11.648 ( -0.570 0.000 -0.230) 0.615 11.651 ( -0.733 0.000 0.274) 0.782 14.854 ( -1.088 0.000 -0.355) 1.145 14.855 ( -1.470 0.000 0.365) 1.515 15.031 ( -0.010 0.000 0.178) 0.179 15.034 ( 0.098 0.000 -0.165) 0.192 15.179 ( 1.967 0.000 0.389) 2.005 15.183 ( 2.379 0.000 -0.328) 2.401 15.242 ( 0.165 0.000 0.162) 0.231 15.251 ( -0.615 0.000 -0.207) 0.649 16.133 ( 2.175 0.000 2.559) 3.358 16.330 ( 1.278 0.000 -7.636) 7.742 16.606 ( 4.898 0.000 7.495) 8.953 16.945 ( -0.169 0.000 -2.272) 2.278 ======================= Grid point 67 (25/52) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 6.576 0.000 5.747) 8.734 1.055 ( -1.743 0.000 5.379) 5.654 1.110 ( 2.456 0.000 -4.132) 4.807 1.147 ( -4.394 0.000 -3.422) 5.569 1.204 ( -4.718 0.000 0.375) 4.733 1.220 ( 4.162 0.000 -2.718) 4.971 1.329 ( -4.308 0.000 -0.547) 4.343 1.350 ( 2.501 0.000 -2.423) 3.482 1.435 ( -1.487 0.000 0.247) 1.507 1.441 ( -0.356 0.000 -0.353) 0.501 1.525 ( -1.439 0.000 0.950) 1.724 1.529 ( 2.600 0.000 0.778) 2.714 1.601 ( -3.481 0.000 5.044) 6.129 1.691 ( 5.658 0.000 -0.305) 5.666 1.702 ( 2.005 0.000 -1.372) 2.430 1.768 ( -2.335 0.000 -3.570) 4.266 1.841 ( -7.942 0.000 1.398) 8.064 1.846 ( 6.645 0.000 0.650) 6.677 2.161 ( 0.125 0.000 0.487) 0.503 2.191 ( 1.043 0.000 -2.664) 2.861 2.324 ( -2.870 0.000 2.809) 4.016 2.361 ( 2.973 0.000 -0.998) 3.136 2.403 ( -0.743 0.000 0.029) 0.744 2.409 ( -0.208 0.000 -0.564) 0.601 2.726 ( -0.060 0.000 0.815) 0.817 2.743 ( 0.002 0.000 -0.819) 0.819 2.981 ( 0.564 0.000 0.492) 0.748 2.993 ( -0.621 0.000 -0.597) 0.861 3.150 ( -3.508 0.000 -0.119) 3.510 3.154 ( 4.515 0.000 -0.526) 4.545 3.192 ( -4.517 0.000 0.537) 4.549 3.197 ( 3.648 0.000 -0.013) 3.648 3.495 ( -1.855 0.000 3.137) 3.644 3.560 ( 2.430 0.000 -2.954) 3.825 3.819 ( -1.891 0.000 2.946) 3.501 3.879 ( 1.405 0.000 -2.567) 2.927 3.932 ( 0.270 0.000 0.158) 0.312 3.936 ( -0.381 0.000 -0.140) 0.406 4.128 ( 0.293 0.000 0.375) 0.476 4.135 ( -0.274 0.000 -0.321) 0.422 4.487 ( -1.139 0.000 0.236) 1.163 4.492 ( 0.216 0.000 -0.245) 0.327 4.501 ( 2.131 0.000 0.973) 2.342 4.520 ( -1.241 0.000 -0.737) 1.444 4.905 ( -0.589 0.000 0.133) 0.604 4.908 ( 0.609 0.000 -0.123) 0.621 5.031 ( -2.376 0.000 1.281) 2.699 5.063 ( 2.461 0.000 -1.653) 2.965 5.481 ( 0.084 0.000 0.659) 0.664 5.493 ( -0.235 0.000 -0.455) 0.512 5.586 ( -0.292 0.000 0.118) 0.315 5.589 ( 0.326 0.000 -0.128) 0.350 6.253 ( -0.165 0.000 -0.001) 0.165 6.253 ( 0.207 0.000 -0.027) 0.208 6.401 ( -0.129 0.000 -0.014) 0.130 6.402 ( 0.197 0.000 -0.035) 0.200 6.500 ( 1.275 0.000 1.372) 1.873 6.532 ( -1.602 0.000 -1.627) 2.284 7.005 ( 1.086 0.000 2.728) 2.936 7.059 ( -0.890 0.000 -2.281) 2.448 7.482 ( 0.484 0.000 1.317) 1.403 7.522 ( -0.162 0.000 -2.566) 2.571 7.688 ( -0.199 0.000 2.315) 2.323 7.726 ( 0.015 0.000 -1.378) 1.378 8.333 ( 0.722 0.000 0.201) 0.749 8.336 ( -0.875 0.000 -0.143) 0.886 8.389 ( -0.641 0.000 0.819) 1.040 8.406 ( 0.679 0.000 -0.761) 1.020 11.589 ( 0.206 0.000 0.232) 0.310 11.595 ( -0.246 0.000 -0.319) 0.403 11.642 ( -0.216 0.000 0.096) 0.236 11.643 ( 0.268 0.000 -0.010) 0.268 14.841 ( -0.216 0.000 0.162) 0.270 14.844 ( 0.231 0.000 -0.153) 0.277 15.031 ( -0.078 0.000 0.183) 0.199 15.035 ( 0.068 0.000 -0.168) 0.182 15.201 ( -0.275 0.000 0.517) 0.586 15.212 ( 0.302 0.000 -0.512) 0.595 15.240 ( -0.110 0.000 0.074) 0.133 15.242 ( 0.088 0.000 -0.081) 0.119 16.177 ( 0.194 0.000 3.933) 3.938 16.287 ( -0.832 0.000 -6.922) 6.972 16.733 ( 2.786 0.000 9.320) 9.728 16.895 ( -2.133 0.000 -6.309) 6.659 ======================= Grid point 68 (26/52) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.866 ( -13.932 0.000 -8.189) 16.161 0.949 ( -8.930 0.000 1.316) 9.026 1.027 ( -8.109 0.000 0.678) 8.137 1.109 ( -5.968 0.000 -0.289) 5.975 1.200 ( 4.412 0.000 8.750) 9.799 1.239 ( -0.678 0.000 -5.563) 5.604 1.330 ( 3.329 0.000 1.778) 3.774 1.415 ( 2.780 0.000 1.078) 2.982 1.452 ( 2.517 0.000 -0.328) 2.538 1.460 ( -1.655 0.000 4.322) 4.628 1.524 ( -1.694 0.000 -2.830) 3.298 1.541 ( 2.728 0.000 0.618) 2.798 1.575 ( 2.136 0.000 -1.307) 2.504 1.645 ( -10.068 0.000 1.030) 10.121 1.741 ( 2.521 0.000 -1.884) 3.147 1.745 ( 0.606 0.000 -0.564) 0.828 1.800 ( 2.740 0.000 -0.455) 2.778 1.917 ( -1.098 0.000 0.789) 1.352 2.159 ( 0.096 0.000 0.852) 0.858 2.172 ( -0.839 0.000 -2.797) 2.920 2.241 ( -5.527 0.000 1.842) 5.826 2.357 ( -1.433 0.000 -1.635) 2.174 2.453 ( 4.143 0.000 -0.315) 4.155 2.460 ( 3.002 0.000 1.963) 3.587 2.679 ( -5.318 0.000 0.941) 5.401 2.683 ( -5.400 0.000 -1.115) 5.514 2.991 ( 0.515 0.000 -0.311) 0.601 3.011 ( 1.454 0.000 0.403) 1.509 3.057 ( -3.643 0.000 -0.398) 3.664 3.077 ( -4.725 0.000 0.036) 4.725 3.269 ( 5.251 0.000 0.146) 5.253 3.307 ( 5.687 0.000 -0.137) 5.689 3.499 ( 0.950 0.000 0.778) 1.228 3.581 ( 2.194 0.000 -0.599) 2.274 3.832 ( 1.386 0.000 0.725) 1.564 3.848 ( -1.732 0.000 -0.662) 1.854 3.964 ( 2.662 0.000 -0.387) 2.690 4.000 ( 3.331 0.000 0.241) 3.340 4.099 ( -2.923 0.000 -0.090) 2.924 4.100 ( -1.019 0.000 0.262) 1.052 4.396 ( -5.733 0.000 0.095) 5.733 4.420 ( -3.666 0.000 0.137) 3.669 4.596 ( 6.029 0.000 -0.453) 6.046 4.609 ( 6.148 0.000 0.227) 6.152 4.833 ( -6.529 0.000 0.548) 6.552 4.857 ( -5.286 0.000 -0.403) 5.301 5.008 ( -1.970 0.000 0.517) 2.037 5.147 ( 6.254 0.000 -1.092) 6.349 5.459 ( -1.598 0.000 0.941) 1.854 5.465 ( -1.141 0.000 -0.476) 1.236 5.648 ( 5.311 0.000 0.098) 5.312 5.653 ( 5.072 0.000 -0.120) 5.073 6.261 ( 0.724 0.000 -0.304) 0.785 6.274 ( 1.615 0.000 0.328) 1.648 6.394 ( -0.276 0.000 0.020) 0.277 6.403 ( 0.281 0.000 -0.149) 0.318 6.537 ( 3.427 0.000 -1.632) 3.796 6.585 ( 6.151 0.000 2.245) 6.548 7.014 ( -0.889 0.000 -3.786) 3.889 7.017 ( -1.139 0.000 3.212) 3.408 7.531 ( 2.495 0.000 -2.864) 3.798 7.532 ( 3.507 0.000 1.827) 3.954 7.738 ( 3.309 0.000 2.863) 4.376 7.761 ( 3.727 0.000 -2.095) 4.275 8.263 ( -5.496 0.000 -0.265) 5.502 8.291 ( -4.418 0.000 0.375) 4.434 8.382 ( -1.965 0.000 0.723) 2.094 8.426 ( 0.634 0.000 -0.520) 0.821 11.586 ( -0.314 0.000 -0.276) 0.418 11.593 ( 0.006 0.000 0.316) 0.316 11.646 ( 0.479 0.000 0.016) 0.479 11.655 ( 0.870 0.000 -0.095) 0.875 14.849 ( 0.942 0.000 0.136) 0.951 14.861 ( 1.643 0.000 -0.165) 1.651 15.030 ( -0.079 0.000 0.180) 0.197 15.034 ( -0.029 0.000 -0.155) 0.157 15.176 ( -2.204 0.000 0.319) 2.227 15.185 ( -2.208 0.000 -0.249) 2.222 15.246 ( 0.167 0.000 0.269) 0.316 15.248 ( 0.386 0.000 -0.346) 0.518 16.188 ( -2.247 0.000 5.674) 6.102 16.215 ( -2.470 0.000 -5.648) 6.165 16.781 ( -4.810 0.000 -8.843) 10.067 16.832 ( 1.632 0.000 8.816) 8.965 ======================= Grid point 69 (27/52) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( -14.682 0.000 -3.428) 15.077 0.666 ( -17.632 0.000 -0.244) 17.634 0.907 ( -12.552 0.000 -2.121) 12.730 0.943 ( -4.190 0.000 -1.531) 4.461 1.194 ( -5.413 0.000 -0.004) 5.413 1.232 ( -7.671 0.000 6.982) 10.373 1.365 ( 0.219 0.000 -1.328) 1.346 1.410 ( -5.801 0.000 4.238) 7.185 1.430 ( -0.912 0.000 -0.082) 0.916 1.467 ( -0.693 0.000 -3.205) 3.279 1.507 ( -1.599 0.000 1.203) 2.001 1.526 ( 3.503 0.000 -0.778) 3.589 1.606 ( 1.558 0.000 -0.482) 1.631 1.661 ( 4.619 0.000 0.241) 4.626 1.706 ( -3.345 0.000 -6.176) 7.023 1.720 ( -4.597 0.000 4.335) 6.318 1.855 ( 2.196 0.000 3.027) 3.739 1.858 ( 0.765 0.000 -3.829) 3.905 2.126 ( -3.445 0.000 -1.583) 3.791 2.168 ( -1.499 0.000 0.881) 1.739 2.180 ( -1.105 0.000 1.350) 1.745 2.301 ( -2.910 0.000 -1.115) 3.116 2.496 ( -1.980 0.000 2.115) 2.897 2.519 ( 2.661 0.000 -0.986) 2.838 2.536 ( -9.523 0.000 1.046) 9.580 2.554 ( -5.116 0.000 -0.693) 5.163 3.002 ( 0.657 0.000 0.384) 0.761 3.006 ( -1.181 0.000 0.298) 1.218 3.014 ( -0.651 0.000 -0.368) 0.747 3.043 ( 0.682 0.000 -0.566) 0.887 3.386 ( 6.542 0.000 1.165) 6.645 3.414 ( 5.898 0.000 -1.265) 6.032 3.533 ( 2.189 0.000 -0.537) 2.254 3.642 ( 3.396 0.000 0.413) 3.420 3.849 ( 2.470 0.000 0.578) 2.537 3.872 ( 2.755 0.000 -0.507) 2.801 3.990 ( 0.224 0.000 -0.892) 0.920 4.000 ( -0.789 0.000 -0.092) 0.794 4.057 ( -0.704 0.000 -1.546) 1.699 4.152 ( 1.784 0.000 2.863) 3.374 4.304 ( -4.052 0.000 1.537) 4.333 4.354 ( -1.371 0.000 -2.076) 2.488 4.627 ( -11.054 0.000 0.392) 11.061 4.688 ( -3.162 0.000 -0.999) 3.316 4.731 ( -0.733 0.000 -0.236) 0.770 4.764 ( 3.203 0.000 0.281) 3.216 4.973 ( -0.022 0.000 2.821) 2.822 5.250 ( 4.749 0.000 -3.422) 5.853 5.434 ( -2.016 0.000 0.966) 2.236 5.442 ( -1.558 0.000 -0.023) 1.558 5.767 ( 6.534 0.000 -0.315) 6.541 5.774 ( 7.173 0.000 0.373) 7.182 6.263 ( -0.612 0.000 -0.605) 0.860 6.291 ( -0.769 0.000 0.684) 1.029 6.410 ( 2.216 0.000 0.229) 2.227 6.427 ( 2.438 0.000 -0.221) 2.448 6.655 ( 9.432 0.000 -0.317) 9.437 6.760 ( 10.421 0.000 1.826) 10.580 7.007 ( 3.617 0.000 -5.602) 6.668 7.035 ( 1.998 0.000 2.535) 3.228 7.560 ( 1.483 0.000 -1.487) 2.100 7.631 ( 4.814 0.000 2.362) 5.362 7.789 ( -0.580 0.000 -3.477) 3.525 7.833 ( 4.088 0.000 2.425) 4.753 8.117 ( -9.794 0.000 -0.336) 9.800 8.179 ( -7.397 0.000 0.830) 7.443 8.308 ( -6.156 0.000 2.325) 6.580 8.389 ( -4.255 0.000 -2.526) 4.948 11.584 ( 0.262 0.000 -0.050) 0.266 11.596 ( 0.221 0.000 0.160) 0.273 11.655 ( 0.398 0.000 0.070) 0.404 11.669 ( 0.596 0.000 -0.332) 0.682 14.878 ( 1.848 0.000 0.367) 1.884 14.905 ( 2.968 0.000 -0.409) 2.996 15.030 ( -0.103 0.000 0.131) 0.166 15.031 ( -0.240 0.000 -0.094) 0.258 15.130 ( -2.469 0.000 0.220) 2.479 15.136 ( -2.613 0.000 -0.136) 2.617 15.241 ( -0.662 0.000 -1.185) 1.357 15.255 ( 0.543 0.000 1.004) 1.141 16.127 ( -3.108 0.000 -4.226) 5.246 16.158 ( -4.997 0.000 6.969) 8.575 16.593 ( -8.664 0.000 -9.412) 12.792 16.907 ( 1.137 0.000 5.823) 5.933 ======================= Grid point 70 (28/52) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.323 ( -16.130 0.000 4.331) 16.701 0.327 ( -8.106 0.000 13.449) 15.703 0.642 ( -11.357 0.000 -3.030) 11.754 0.749 ( -13.151 0.000 -6.755) 14.784 0.873 ( -27.795 0.000 8.361) 29.025 1.115 ( -3.119 0.000 -3.289) 4.533 1.339 ( -0.930 0.000 0.034) 0.931 1.384 ( -3.788 0.000 -0.235) 3.795 1.396 ( 2.375 0.000 -0.834) 2.517 1.453 ( 0.897 0.000 -1.016) 1.356 1.495 ( -1.577 0.000 -0.872) 1.802 1.587 ( 1.643 0.000 -1.167) 2.016 1.598 ( -0.423 0.000 -0.898) 0.993 1.643 ( -2.054 0.000 2.033) 2.890 1.650 ( 0.250 0.000 0.697) 0.740 1.749 ( 1.412 0.000 -0.556) 1.517 1.883 ( -1.229 0.000 1.246) 1.750 1.897 ( 2.541 0.000 -4.347) 5.035 2.032 ( -4.362 0.000 -0.688) 4.416 2.073 ( -7.031 0.000 0.485) 7.048 2.186 ( -0.022 0.000 1.995) 1.995 2.255 ( -1.063 0.000 -1.895) 2.173 2.364 ( -7.657 0.000 1.096) 7.735 2.379 ( -6.705 0.000 -0.437) 6.719 2.570 ( 4.718 0.000 1.860) 5.072 2.579 ( 5.775 0.000 1.119) 5.883 3.003 ( 0.121 0.000 0.097) 0.155 3.010 ( -0.147 0.000 0.261) 0.300 3.030 ( 2.100 0.000 0.241) 2.114 3.053 ( 0.711 0.000 -0.954) 1.190 3.476 ( -1.254 0.000 -2.308) 2.626 3.534 ( 7.716 0.000 2.546) 8.125 3.591 ( 4.489 0.000 0.916) 4.581 3.694 ( 1.597 0.000 -0.265) 1.619 3.906 ( -2.063 0.000 -5.478) 5.853 3.929 ( 4.280 0.000 0.550) 4.315 3.973 ( -2.909 0.000 -3.776) 4.766 4.009 ( 1.117 0.000 -0.064) 1.118 4.023 ( 0.895 0.000 0.085) 0.899 4.125 ( -8.081 0.000 6.083) 10.115 4.250 ( -3.023 0.000 1.554) 3.399 4.305 ( -14.442 0.000 5.289) 15.380 4.406 ( 3.263 0.000 -5.365) 6.279 4.563 ( -4.728 0.000 -1.620) 4.998 4.654 ( -5.145 0.000 -0.884) 5.220 4.908 ( 7.555 0.000 2.921) 8.100 5.057 ( 4.068 0.000 2.613) 4.835 5.221 ( -6.072 0.000 -14.853) 16.046 5.388 ( -2.869 0.000 0.072) 2.870 5.397 ( -3.024 0.000 0.172) 3.029 5.878 ( 4.539 0.000 -0.183) 4.543 5.898 ( 4.616 0.000 0.373) 4.631 6.239 ( -0.964 0.000 -0.218) 0.988 6.260 ( -2.367 0.000 0.598) 2.442 6.469 ( 2.907 0.000 0.227) 2.916 6.482 ( 2.757 0.000 -0.171) 2.762 6.878 ( 13.090 0.000 0.680) 13.107 6.984 ( 10.639 0.000 -2.116) 10.847 7.097 ( 9.908 0.000 -4.009) 10.688 7.147 ( 8.144 0.000 1.015) 8.207 7.563 ( -2.077 0.000 2.158) 2.995 7.623 ( -13.365 0.000 -2.158) 13.538 7.709 ( -3.294 0.000 1.520) 3.628 7.894 ( 1.390 0.000 -0.702) 1.557 7.936 ( -3.985 0.000 0.159) 3.989 8.022 ( -10.608 0.000 -2.403) 10.877 8.172 ( -15.336 0.000 -9.581) 18.083 8.189 ( -8.248 0.000 3.090) 8.808 11.594 ( 0.528 0.000 0.094) 0.536 11.602 ( 0.251 0.000 -0.009) 0.251 11.660 ( 0.066 0.000 0.047) 0.081 11.671 ( -0.151 0.000 -0.606) 0.624 14.926 ( 2.866 0.000 1.713) 3.339 14.961 ( 2.833 0.000 -0.675) 2.913 15.024 ( -0.379 0.000 0.060) 0.384 15.027 ( -0.179 0.000 -0.029) 0.181 15.091 ( -1.789 0.000 -0.084) 1.791 15.092 ( -1.422 0.000 0.066) 1.424 15.200 ( -2.697 0.000 -1.927) 3.315 15.284 ( 0.905 0.000 2.244) 2.419 16.061 ( -1.045 0.000 -2.161) 2.400 16.093 ( -4.033 0.000 4.602) 6.119 16.345 ( -10.828 0.000 -6.561) 12.661 16.896 ( -6.429 0.000 -8.183) 10.407 ======================= Grid point 71 (29/52) ======================= q-point: ( 0.00 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( -7.402 14.613 8.255) 18.343 0.529 ( 5.271 10.629 12.739) 17.408 0.663 ( 4.127 10.709 -8.155) 14.079 0.744 ( -2.061 14.971 -6.762) 16.556 0.865 ( 0.717 23.005 7.487) 24.204 1.045 ( 0.925 5.596 -5.661) 8.014 1.309 ( -3.917 1.131 4.171) 5.832 1.383 ( 2.528 1.742 -3.383) 4.568 1.475 ( 1.865 -0.227 1.024) 2.140 1.500 ( -1.520 2.855 -1.196) 3.449 1.503 ( 0.261 1.504 -1.120) 1.893 1.536 ( -0.434 2.687 -3.204) 4.204 1.589 ( -0.149 -2.058 1.917) 2.816 1.629 ( 0.055 -0.512 -1.890) 1.959 1.708 ( 0.754 2.986 2.541) 3.993 1.766 ( -0.893 2.749 -3.044) 4.197 1.877 ( 2.094 3.275 2.214) 4.473 1.908 ( -2.868 2.202 -1.083) 3.775 1.942 ( 1.503 -2.996 0.517) 3.391 1.951 ( -0.846 -3.859 -0.332) 3.965 2.200 ( 0.244 1.181 1.676) 2.065 2.240 ( -0.248 0.561 -2.097) 2.185 2.447 ( 0.399 3.948 3.293) 5.156 2.504 ( -0.615 0.442 -1.967) 2.107 2.977 ( -1.438 10.223 2.550) 10.634 3.024 ( 2.411 4.092 -1.749) 5.061 3.052 ( -0.328 4.453 0.083) 4.466 3.059 ( -0.092 3.546 -0.416) 3.571 3.226 ( 0.854 15.556 3.875) 16.054 3.320 ( 1.139 -0.824 -2.116) 2.540 3.333 ( 4.487 -2.178 1.119) 5.112 3.413 ( -13.073 9.715 -9.579) 18.896 3.600 ( -2.062 -3.433 0.531) 4.040 3.623 ( 0.968 -1.310 -1.815) 2.439 3.851 ( 10.694 -3.765 2.849) 11.690 3.880 ( -8.462 -1.548 -0.367) 8.610 3.935 ( -0.346 -2.499 1.139) 2.769 3.990 ( 8.790 1.523 -3.733) 9.670 4.014 ( -0.822 -0.334 -0.023) 0.888 4.019 ( -0.524 1.736 -0.445) 1.868 4.216 ( -3.542 2.104 1.083) 4.259 4.251 ( 6.476 3.853 -2.794) 8.037 4.480 ( -8.071 -1.462 2.798) 8.666 4.509 ( 4.189 -1.542 -0.526) 4.495 4.651 ( 5.953 6.705 3.809) 9.742 4.754 ( -9.158 6.569 -6.493) 13.007 5.048 ( 2.917 -1.996 1.428) 3.813 5.067 ( -1.083 -1.736 -0.614) 2.136 5.440 ( 0.542 6.858 0.059) 6.880 5.444 ( -0.501 6.436 -0.318) 6.463 5.935 ( 0.840 -0.094 1.096) 1.384 5.950 ( -0.717 0.515 -0.409) 0.973 6.298 ( 0.025 4.949 1.259) 5.107 6.343 ( 0.592 4.921 -3.334) 5.973 6.519 ( -1.157 0.964 0.765) 1.689 6.530 ( 0.593 1.449 -0.417) 1.621 7.150 ( -0.976 1.053 1.501) 2.077 7.200 ( 2.941 0.581 -3.385) 4.522 7.249 ( -6.519 -1.324 0.350) 6.662 7.256 ( 6.397 -1.105 -0.417) 6.505 7.341 ( 4.383 0.868 -0.245) 4.475 7.353 ( -8.339 2.705 -2.486) 9.112 7.581 ( 0.578 -2.009 1.712) 2.703 7.595 ( 1.112 -1.998 -0.107) 2.290 7.940 ( 6.843 -2.566 0.162) 7.310 7.945 ( -5.475 -2.164 -0.194) 5.890 8.005 ( -4.537 -2.701 0.474) 5.302 8.009 ( 4.042 -2.847 0.020) 4.944 11.584 ( 0.068 -1.396 0.146) 1.405 11.588 ( -0.074 -1.369 -0.161) 1.380 11.640 ( -0.118 -1.820 0.091) 1.826 11.641 ( 0.167 -1.807 -0.050) 1.815 14.958 ( 0.082 0.501 1.185) 1.289 14.983 ( -0.403 0.292 -1.256) 1.351 15.032 ( 0.896 0.453 0.926) 1.366 15.047 ( -0.548 0.597 -0.559) 0.985 15.193 ( -0.303 6.519 0.229) 6.531 15.197 ( 0.461 4.454 -0.150) 4.480 15.332 ( -4.644 6.085 3.754) 8.526 15.463 ( 7.962 7.981 -9.681) 14.860 16.055 ( 2.332 -1.904 0.842) 3.126 16.081 ( -3.662 -1.672 -1.900) 4.452 16.205 ( 8.987 -3.294 1.774) 9.734 16.224 ( -12.546 -3.161 0.048) 12.939 ======================= Grid point 72 (30/52) ======================= q-point: ( 0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 6.434 11.261 -1.853) 13.101 0.701 ( 8.288 11.217 6.281) 15.296 0.756 ( 6.838 6.833 -5.657) 11.201 0.829 ( 8.432 8.768 -3.680) 12.709 1.013 ( 10.988 14.397 4.995) 18.788 1.120 ( 9.422 9.209 0.422) 13.182 1.301 ( 1.923 -0.018 2.007) 2.780 1.444 ( -3.356 -0.754 -1.680) 3.828 1.446 ( 4.400 1.315 -2.872) 5.417 1.476 ( 0.632 4.692 0.430) 4.754 1.512 ( 0.422 0.041 3.029) 3.058 1.560 ( -2.119 -1.540 -0.393) 2.649 1.570 ( 4.748 6.262 -2.678) 8.302 1.649 ( 1.945 -1.509 -0.295) 2.479 1.694 ( -1.583 1.652 -0.845) 2.439 1.758 ( -0.203 2.595 1.161) 2.851 1.868 ( -1.009 1.146 -1.820) 2.376 1.899 ( -0.146 0.125 1.865) 1.875 2.019 ( 4.839 -1.315 -0.537) 5.043 2.028 ( 6.227 -2.672 0.498) 6.794 2.209 ( 0.133 0.100 0.511) 0.538 2.242 ( 0.811 0.913 -0.108) 1.226 2.482 ( 0.676 1.399 0.146) 1.560 2.498 ( 0.996 0.111 0.659) 1.199 2.815 ( -10.224 19.384 1.016) 21.939 2.887 ( -11.522 19.480 -1.078) 22.658 3.029 ( -1.183 0.601 0.735) 1.517 3.040 ( -1.564 0.465 -0.798) 1.816 3.066 ( -0.657 5.312 -0.118) 5.353 3.101 ( -3.524 6.322 -0.005) 7.238 3.432 ( -1.244 -3.149 0.203) 3.391 3.513 ( -3.875 -6.130 -0.005) 7.252 3.598 ( 0.639 1.414 -0.844) 1.766 3.697 ( 0.417 2.444 2.298) 3.380 3.772 ( 2.673 -3.785 -1.304) 4.813 3.894 ( 0.021 -4.387 -1.548) 4.652 3.914 ( -3.848 -0.035 0.987) 3.973 3.990 ( -0.799 -3.067 0.486) 3.207 4.026 ( 1.767 0.023 0.095) 1.770 4.145 ( 2.570 -4.017 -0.775) 4.831 4.205 ( 1.820 1.305 0.832) 2.389 4.350 ( -2.275 2.723 2.878) 4.568 4.543 ( 14.175 1.002 -5.403) 15.203 4.568 ( 3.889 0.775 -0.527) 4.000 4.671 ( 2.349 5.558 -2.976) 6.728 4.846 ( 3.482 -0.859 5.998) 6.988 4.998 ( -0.281 -0.009 0.756) 0.807 5.108 ( 1.572 -2.591 -2.636) 4.017 5.461 ( 2.627 6.781 -0.267) 7.277 5.482 ( 2.826 6.589 0.313) 7.176 5.901 ( -3.658 1.444 -0.485) 3.962 5.923 ( -3.600 1.356 0.578) 3.890 6.284 ( -0.721 3.720 -0.444) 3.815 6.310 ( -1.219 3.144 0.127) 3.374 6.489 ( -2.463 1.430 0.412) 2.878 6.517 ( -3.119 2.144 -0.265) 3.794 6.901 ( -12.891 -0.954 2.017) 13.083 6.907 ( -13.645 -0.158 -1.790) 13.763 7.074 ( -11.249 -1.179 0.438) 11.319 7.181 ( -7.891 -0.438 -2.432) 8.269 7.526 ( 9.156 -3.225 2.060) 9.924 7.592 ( 2.936 -0.704 -1.426) 3.339 7.713 ( 10.072 -5.857 0.946) 11.689 7.774 ( 3.496 -2.945 -0.701) 4.625 7.904 ( 7.437 -1.074 -1.492) 7.661 7.946 ( 6.946 -0.781 1.586) 7.167 8.106 ( 7.984 -1.898 -0.367) 8.215 8.195 ( 10.123 -4.980 -0.599) 11.297 11.580 ( -0.452 -1.380 -0.150) 1.460 11.583 ( -0.344 -1.396 0.206) 1.452 11.640 ( 0.059 -1.949 -0.043) 1.951 11.646 ( 0.143 -1.881 -0.139) 1.891 14.941 ( -2.249 0.488 0.500) 2.355 14.954 ( -1.874 0.689 -0.206) 2.007 15.036 ( -0.108 0.437 -0.932) 1.035 15.054 ( 0.645 0.545 0.684) 1.086 15.167 ( -0.394 5.434 0.080) 5.449 15.208 ( -4.793 8.341 0.644) 9.642 15.240 ( 1.916 4.200 -0.354) 4.630 15.416 ( -5.311 6.208 -1.394) 8.288 16.023 ( -0.349 -0.735 0.532) 0.972 16.147 ( 6.882 -3.360 0.154) 7.660 16.255 ( 10.542 -3.895 -5.438) 12.485 16.549 ( 15.594 -9.849 5.476) 19.240 ======================= Grid point 73 (31/52) ======================= q-point: ( 0.25 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 10.516 5.054 -6.540) 13.376 0.842 ( 7.730 8.916 -2.917) 12.155 0.929 ( 9.608 7.084 3.094) 12.332 0.964 ( 7.283 3.014 2.153) 8.171 1.202 ( -0.755 5.326 2.796) 6.062 1.259 ( 6.559 3.067 -1.265) 7.350 1.397 ( 4.668 -1.624 2.102) 5.371 1.418 ( 1.463 1.942 0.887) 2.588 1.463 ( -0.890 1.738 -2.504) 3.176 1.510 ( 0.528 2.994 0.070) 3.041 1.515 ( -1.771 0.993 -0.413) 2.072 1.584 ( 4.224 0.820 3.358) 5.458 1.630 ( 1.920 6.351 -0.598) 6.662 1.664 ( 0.558 3.589 -1.003) 3.769 1.730 ( 1.812 4.836 -0.676) 5.209 1.782 ( 3.642 -0.963 -1.438) 4.033 1.811 ( -1.560 2.022 0.555) 2.613 1.900 ( 0.444 -0.029 -0.580) 0.731 2.093 ( 3.052 -1.005 -0.249) 3.223 2.142 ( 3.935 -1.746 1.029) 4.426 2.212 ( 0.825 -1.053 -2.055) 2.452 2.260 ( 0.574 0.279 2.252) 2.340 2.479 ( -1.216 -1.866 -0.570) 2.299 2.497 ( -1.762 -0.913 0.434) 2.031 2.725 ( -0.122 13.942 0.808) 13.966 2.798 ( 0.436 13.269 -0.844) 13.303 3.010 ( -0.436 -0.392 -0.688) 0.904 3.028 ( 0.190 0.845 0.810) 1.186 3.061 ( 0.022 4.738 0.205) 4.743 3.079 ( 1.241 5.745 -0.505) 5.899 3.373 ( -4.129 -1.684 0.880) 4.545 3.407 ( -5.280 -1.292 -0.874) 5.505 3.570 ( -2.599 2.789 -0.839) 3.904 3.676 ( -3.819 5.152 0.953) 6.483 3.784 ( 0.578 -4.793 0.516) 4.856 3.823 ( -2.403 -2.597 -0.302) 3.551 3.910 ( 1.195 -6.087 -0.273) 6.209 3.977 ( -0.497 -3.641 0.394) 3.696 4.063 ( 0.973 -0.683 -0.461) 1.275 4.148 ( -2.239 -3.653 0.317) 4.296 4.274 ( 4.412 1.355 1.157) 4.758 4.327 ( 0.171 1.478 -0.353) 1.529 4.634 ( 0.223 0.199 -0.630) 0.698 4.732 ( 5.976 0.421 -0.753) 6.038 4.736 ( 6.828 3.858 -0.335) 7.850 4.773 ( -6.368 0.809 0.480) 6.437 5.056 ( 1.692 -1.365 -2.833) 3.571 5.136 ( 1.140 -0.320 3.274) 3.481 5.520 ( 2.762 7.399 0.174) 7.900 5.538 ( 2.546 7.573 0.166) 7.992 5.801 ( -6.003 2.823 -0.609) 6.661 5.818 ( -6.366 3.341 0.376) 7.200 6.274 ( -0.744 0.972 -0.398) 1.288 6.291 ( -1.751 -0.323 0.380) 1.820 6.434 ( -2.700 1.428 0.570) 3.107 6.441 ( -2.897 1.588 -0.595) 3.356 6.658 ( -10.028 -0.864 -1.432) 10.167 6.719 ( -8.293 -2.178 2.212) 8.855 6.930 ( -3.628 -1.181 0.558) 3.856 7.058 ( -3.286 -2.425 -1.688) 4.419 7.548 ( -3.280 -0.791 -0.632) 3.432 7.656 ( 1.735 -4.164 1.399) 4.723 7.666 ( -4.930 -2.054 -0.786) 5.398 7.806 ( -1.149 -4.197 0.146) 4.354 8.106 ( 9.514 -1.625 -1.057) 9.709 8.151 ( 7.796 -2.158 1.173) 8.174 8.271 ( 7.576 -3.341 0.497) 8.295 8.336 ( 4.752 -3.239 -0.269) 5.757 11.570 ( -0.408 -1.398 -0.177) 1.467 11.578 ( -0.208 -1.474 0.216) 1.504 11.638 ( -0.394 -1.983 -0.010) 2.022 11.642 ( -0.473 -1.869 -0.089) 1.930 14.894 ( -2.217 0.769 -0.210) 2.356 14.912 ( -2.343 1.437 0.277) 2.762 15.031 ( -0.036 0.156 -0.343) 0.379 15.062 ( -0.058 1.046 0.270) 1.082 15.176 ( 1.324 4.809 -0.151) 4.990 15.189 ( 1.532 4.469 0.205) 4.729 15.266 ( 0.860 3.470 -0.043) 3.576 15.336 ( -2.578 5.126 -0.009) 5.738 16.060 ( 2.720 -0.584 1.457) 3.140 16.263 ( 5.072 -4.197 -3.613) 7.509 16.411 ( 7.567 -4.171 0.139) 8.642 16.783 ( 6.165 -10.562 2.447) 12.472 ======================= Grid point 74 (32/52) ======================= q-point: ( 0.38 0.14 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.850 ( 8.833 6.727 -0.888) 11.138 1.025 ( 10.771 3.114 -1.290) 11.286 1.062 ( 5.432 2.932 -0.610) 6.203 1.168 ( 0.383 5.286 2.709) 5.952 1.171 ( 6.499 2.327 3.761) 7.861 1.321 ( 0.264 -0.370 -1.597) 1.660 1.372 ( -3.171 -2.361 -3.410) 5.221 1.432 ( -4.849 1.536 -0.728) 5.138 1.456 ( -0.882 3.893 0.708) 4.054 1.477 ( 2.380 1.358 0.987) 2.912 1.512 ( 1.003 0.841 0.759) 1.513 1.627 ( -1.953 1.364 1.979) 3.097 1.639 ( -5.233 4.247 -1.977) 7.024 1.669 ( 0.925 3.477 0.843) 3.695 1.730 ( -1.168 3.154 0.775) 3.452 1.784 ( 5.243 6.295 0.458) 8.206 1.833 ( 0.208 1.204 -2.783) 3.039 1.963 ( 1.561 2.410 0.398) 2.899 2.138 ( 1.719 0.152 0.689) 1.858 2.178 ( 0.811 0.168 -0.619) 1.034 2.249 ( 4.479 -3.018 -2.317) 5.877 2.293 ( 0.752 -1.192 2.657) 3.007 2.423 ( -3.299 -1.996 -0.202) 3.862 2.450 ( -3.278 -1.636 -0.296) 3.675 2.768 ( 2.797 7.916 0.626) 8.419 2.815 ( 1.063 7.220 -0.746) 7.336 3.003 ( -0.163 0.953 -0.335) 1.023 3.028 ( -0.604 1.144 0.119) 1.299 3.098 ( 3.230 4.074 0.540) 5.227 3.130 ( 3.678 4.953 -0.549) 6.193 3.295 ( -3.796 0.883 -0.315) 3.910 3.316 ( -4.274 1.559 0.397) 4.567 3.518 ( -1.874 -0.023 0.074) 1.876 3.575 ( -4.954 2.585 0.698) 5.632 3.816 ( 0.734 -1.233 0.713) 1.602 3.829 ( 3.025 -1.158 -0.624) 3.298 3.935 ( 0.447 -3.829 -0.265) 3.864 3.963 ( -1.707 -3.318 0.142) 3.734 4.062 ( -0.458 -3.764 -0.800) 3.875 4.084 ( -2.931 -3.070 0.695) 4.301 4.376 ( 4.717 -0.366 0.187) 4.735 4.383 ( 5.853 -0.651 -0.123) 5.890 4.575 ( -4.131 0.990 0.723) 4.309 4.640 ( -5.652 1.881 -0.530) 5.980 4.849 ( 4.586 1.539 -0.272) 4.845 4.860 ( 4.979 2.030 0.222) 5.381 5.061 ( 0.668 -0.197 -2.087) 2.200 5.124 ( -3.683 0.954 1.710) 4.171 5.559 ( 1.649 8.526 0.341) 8.691 5.578 ( 1.769 8.391 -0.137) 8.576 5.695 ( -4.177 4.181 0.102) 5.912 5.714 ( -4.291 5.098 -0.206) 6.667 6.233 ( -3.075 -3.014 -0.018) 4.306 6.244 ( -2.371 -2.665 0.044) 3.568 6.410 ( -0.169 1.070 -0.198) 1.101 6.413 ( -0.243 1.138 0.080) 1.166 6.525 ( -3.282 0.670 -0.075) 3.350 6.603 ( -4.541 -0.116 0.173) 4.546 6.920 ( 1.257 -2.795 1.111) 3.260 7.017 ( -0.602 -4.632 -1.144) 4.809 7.491 ( -2.319 -0.472 0.785) 2.493 7.560 ( -3.346 -1.251 -2.302) 4.249 7.673 ( -1.575 -2.990 2.614) 4.273 7.752 ( -3.166 -2.543 -1.153) 4.221 8.240 ( 5.094 -2.212 -0.363) 5.565 8.264 ( 3.939 -2.287 0.359) 4.569 8.358 ( 1.690 -3.403 -0.082) 3.801 8.380 ( 0.003 -3.022 0.190) 3.028 11.566 ( 0.059 -1.531 -0.001) 1.532 11.578 ( 0.037 -1.636 -0.038) 1.637 11.626 ( -0.591 -1.907 -0.098) 1.999 11.630 ( -0.663 -1.872 0.133) 1.991 14.861 ( -1.097 0.946 -0.012) 1.449 14.874 ( -1.452 1.504 -0.034) 2.091 15.030 ( 0.016 0.029 0.323) 0.325 15.059 ( -0.242 1.085 -0.255) 1.140 15.213 ( 2.133 3.564 0.049) 4.154 15.228 ( 2.100 3.810 -0.025) 4.351 15.274 ( 0.084 3.029 -0.136) 3.033 15.301 ( -1.405 4.169 0.137) 4.402 16.123 ( 2.173 -0.624 2.330) 3.247 16.293 ( 1.796 -3.043 -6.570) 7.460 16.555 ( 4.827 -4.506 6.579) 9.322 16.848 ( 1.190 -8.344 -2.269) 8.729 ======================= Grid point 75 (33/52) ======================= q-point: (-0.50 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( 6.412 3.154 3.648) 8.023 1.070 ( -4.277 2.671 1.796) 5.352 1.163 ( 4.667 3.133 -2.213) 6.041 1.168 ( -7.455 1.984 -3.886) 8.638 1.249 ( -0.857 1.952 0.608) 2.217 1.268 ( 2.381 3.768 -0.716) 4.514 1.359 ( -2.132 3.185 2.054) 4.348 1.393 ( 4.406 2.888 0.556) 5.298 1.457 ( 1.859 2.563 -0.355) 3.186 1.492 ( -4.312 2.040 -3.415) 5.867 1.522 ( -0.880 -1.274 6.080) 6.274 1.571 ( -1.368 3.993 1.181) 4.383 1.600 ( 0.084 2.962 -1.146) 3.177 1.645 ( 1.116 -3.426 -5.281) 6.393 1.724 ( -0.284 1.409 4.080) 4.326 1.798 ( 0.851 3.136 -3.396) 4.700 1.917 ( 4.702 6.082 0.719) 7.721 1.922 ( -4.660 4.772 0.522) 6.690 2.163 ( -0.009 0.357 0.770) 0.848 2.192 ( 0.939 0.265 -2.068) 2.287 2.293 ( -3.094 -2.393 2.099) 4.439 2.318 ( 2.733 -3.335 -0.503) 4.341 2.383 ( -0.219 -1.445 0.260) 1.484 2.398 ( -0.148 -0.843 -1.009) 1.323 2.805 ( 0.142 6.177 0.686) 6.216 2.820 ( -0.264 5.772 -0.683) 5.818 3.004 ( 0.549 1.617 0.326) 1.739 3.014 ( -0.582 1.535 -0.534) 1.726 3.158 ( 0.107 1.296 0.708) 1.481 3.175 ( 0.218 1.626 -0.849) 1.847 3.246 ( -1.595 4.805 0.419) 5.080 3.252 ( 1.408 4.837 -0.219) 5.043 3.492 ( -1.121 -0.490 2.688) 2.953 3.548 ( 1.533 -1.263 -2.555) 3.236 3.818 ( -1.416 0.113 2.638) 2.996 3.871 ( 1.152 -0.532 -2.299) 2.626 3.931 ( 0.383 0.128 0.044) 0.406 3.931 ( -0.591 0.254 0.024) 0.643 4.051 ( -0.136 -8.172 0.634) 8.197 4.065 ( 0.189 -7.145 -0.599) 7.172 4.453 ( -0.020 -1.444 0.447) 1.512 4.463 ( -0.011 -1.270 -0.444) 1.345 4.528 ( 0.494 2.953 1.436) 3.321 4.558 ( -0.476 3.594 -1.262) 3.839 4.901 ( 0.388 1.267 0.266) 1.352 4.907 ( -0.335 1.445 -0.362) 1.527 5.056 ( -1.645 1.015 0.884) 2.125 5.077 ( 1.631 0.170 -1.120) 1.986 5.595 ( -0.020 9.041 0.736) 9.070 5.609 ( -0.094 9.053 -0.557) 9.070 5.645 ( 0.256 5.120 0.324) 5.136 5.652 ( -0.188 5.424 -0.348) 5.439 6.203 ( 0.379 -4.286 0.382) 4.319 6.212 ( -0.364 -4.265 -0.403) 4.300 6.412 ( 0.045 0.921 -0.016) 0.922 6.412 ( 0.020 0.885 -0.064) 0.887 6.511 ( 1.117 1.470 1.385) 2.308 6.542 ( -1.340 1.384 -1.485) 2.432 6.958 ( 0.566 -4.256 1.995) 4.734 6.999 ( -0.420 -5.291 -1.814) 5.609 7.476 ( 0.179 -0.471 1.364) 1.454 7.513 ( -0.011 -0.701 -2.293) 2.397 7.666 ( 0.075 -1.936 2.229) 2.953 7.704 ( -0.153 -1.957 -1.449) 2.440 8.299 ( 0.191 -2.906 0.336) 2.932 8.305 ( -0.287 -2.738 -0.277) 2.767 8.359 ( -0.606 -2.708 0.670) 2.854 8.374 ( 0.613 -2.973 -0.630) 3.101 11.570 ( 0.178 -1.669 0.230) 1.694 11.576 ( -0.211 -1.694 -0.300) 1.733 11.620 ( -0.075 -1.885 0.139) 1.892 11.622 ( 0.118 -1.834 -0.069) 1.839 14.852 ( 0.016 1.102 0.246) 1.129 14.858 ( -0.025 1.286 -0.297) 1.320 15.036 ( 0.230 0.246 0.735) 0.808 15.051 ( -0.216 0.777 -0.662) 1.043 15.242 ( 0.001 3.554 0.376) 3.574 15.252 ( 0.084 3.364 -0.529) 3.407 15.275 ( -0.757 3.407 0.311) 3.504 15.280 ( 0.671 3.567 -0.151) 3.632 16.165 ( 0.102 -0.859 3.523) 3.627 16.263 ( -0.605 -1.946 -6.146) 6.475 16.671 ( 2.264 -5.446 8.318) 10.197 16.816 ( -1.749 -6.920 -5.691) 9.129 ======================= Grid point 76 (34/52) ======================= q-point: (-0.38 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( -10.662 4.479 -5.522) 12.815 0.991 ( -7.132 2.260 2.126) 7.778 1.066 ( -11.357 4.277 -0.631) 12.152 1.173 ( 4.063 0.024 3.506) 5.367 1.205 ( -4.578 6.709 0.958) 8.178 1.297 ( 2.986 2.121 -1.676) 4.027 1.375 ( -4.099 -1.685 -2.778) 5.231 1.424 ( 3.921 3.037 0.332) 4.971 1.450 ( -0.092 2.110 1.383) 2.524 1.477 ( -0.799 1.350 0.289) 1.595 1.500 ( -1.357 1.932 0.993) 2.561 1.583 ( 3.965 2.920 3.461) 6.019 1.633 ( 1.829 4.299 -0.048) 4.672 1.699 ( 3.062 -0.780 -2.067) 3.776 1.751 ( -0.422 2.137 0.495) 2.234 1.781 ( -1.332 4.472 0.989) 4.770 1.836 ( -1.895 3.755 -3.317) 5.357 1.959 ( -1.935 3.387 0.680) 3.960 2.156 ( -0.939 -0.071 0.212) 0.965 2.174 ( -1.209 -0.011 -1.288) 1.767 2.215 ( -4.389 -1.745 1.072) 4.843 2.329 ( -1.260 -2.486 -0.525) 2.836 2.416 ( 3.231 -1.990 0.247) 3.803 2.439 ( 2.872 -1.360 0.357) 3.198 2.787 ( -1.800 6.887 -0.040) 7.118 2.794 ( -1.918 8.220 0.055) 8.441 3.003 ( -0.222 1.140 -0.334) 1.209 3.026 ( 1.022 0.960 0.299) 1.434 3.107 ( -3.293 4.340 0.228) 5.453 3.123 ( -3.547 4.723 -0.415) 5.921 3.289 ( 3.673 1.251 0.116) 3.882 3.323 ( 4.477 1.120 -0.149) 4.617 3.516 ( 2.578 1.500 0.281) 2.996 3.589 ( 4.146 0.810 -0.234) 4.231 3.812 ( -0.888 -1.056 0.759) 1.574 3.831 ( -2.562 -0.916 -0.567) 2.779 3.935 ( 0.342 -3.315 -0.336) 3.349 3.960 ( 0.952 -4.008 0.342) 4.133 4.054 ( 0.878 -3.501 -0.106) 3.611 4.089 ( 2.128 -3.302 0.176) 3.933 4.367 ( -6.135 -0.424 0.435) 6.165 4.392 ( -4.348 -0.722 -0.385) 4.424 4.598 ( 4.384 1.145 -0.712) 4.587 4.621 ( 5.680 1.618 0.657) 5.943 4.847 ( -5.648 2.344 -0.071) 6.115 4.862 ( -4.087 1.277 0.044) 4.282 5.032 ( -1.804 1.154 0.171) 2.149 5.150 ( 4.984 -0.371 -0.376) 5.012 5.567 ( -1.766 8.246 -0.230) 8.436 5.569 ( -1.844 8.746 0.514) 8.953 5.702 ( 3.831 4.601 -0.549) 6.012 5.707 ( 4.553 4.733 0.435) 6.581 6.234 ( 2.543 -2.821 -0.097) 3.799 6.243 ( 2.923 -2.857 0.112) 4.089 6.407 ( -0.091 1.188 0.037) 1.192 6.416 ( 0.459 1.011 -0.141) 1.119 6.540 ( 2.506 0.656 -1.468) 2.978 6.583 ( 5.202 0.285 1.895) 5.544 6.941 ( -1.655 -4.722 0.156) 5.006 7.002 ( 1.353 -3.255 -0.586) 3.573 7.518 ( 3.168 -1.051 1.777) 3.781 7.523 ( 2.192 -0.707 -2.396) 3.324 7.708 ( 2.448 -2.677 1.888) 4.089 7.728 ( 2.733 -2.764 -1.417) 4.137 8.238 ( -5.167 -2.205 -0.206) 5.622 8.265 ( -3.945 -2.271 0.287) 4.561 8.350 ( -1.915 -2.936 0.402) 3.528 8.388 ( 0.149 -3.443 -0.262) 3.456 11.569 ( -0.191 -1.528 -0.262) 1.562 11.574 ( 0.096 -1.613 0.294) 1.643 11.624 ( 0.479 -1.862 0.031) 1.923 11.633 ( 0.805 -1.950 -0.093) 2.112 14.861 ( 0.902 1.144 0.007) 1.456 14.874 ( 1.628 1.194 0.000) 2.019 15.042 ( -0.142 0.531 -0.653) 0.853 15.048 ( 0.388 0.694 0.643) 1.023 15.215 ( -2.139 3.621 -0.058) 4.206 15.227 ( -2.132 3.739 0.088) 4.305 15.272 ( 0.049 3.008 -0.008) 3.009 15.304 ( 1.327 4.193 -0.011) 4.398 16.169 ( -2.404 -1.400 4.902) 5.636 16.197 ( -2.449 -1.404 -4.989) 5.732 16.706 ( -4.850 -6.635 -6.333) 10.376 16.748 ( -0.120 -7.153 6.406) 9.603 ======================= Grid point 77 (35/52) ======================= q-point: (-0.25 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( -13.065 7.833 -2.852) 15.498 0.813 ( -10.999 9.859 -0.289) 14.774 0.918 ( -4.980 2.661 1.583) 5.864 1.058 ( -7.273 6.559 -3.248) 10.318 1.193 ( -5.735 3.348 2.470) 7.085 1.290 ( -3.547 2.137 -2.458) 4.816 1.354 ( -2.025 1.926 3.565) 4.530 1.416 ( -1.040 0.326 1.443) 1.808 1.455 ( 0.377 0.670 0.840) 1.139 1.485 ( -1.476 0.737 -0.322) 1.681 1.507 ( 1.558 3.326 0.673) 3.734 1.605 ( -4.455 4.704 -0.495) 6.498 1.658 ( 0.165 3.759 -0.419) 3.786 1.699 ( -2.689 1.036 -0.381) 2.906 1.717 ( -6.617 1.988 -2.664) 7.405 1.740 ( 4.165 4.752 1.225) 6.437 1.829 ( 0.206 -1.272 -0.115) 1.294 1.904 ( 0.584 2.171 -1.048) 2.480 2.095 ( -4.146 -2.209 -0.395) 4.715 2.154 ( -3.305 -1.293 0.116) 3.550 2.178 ( -0.166 0.250 0.942) 0.988 2.291 ( -1.453 -0.877 -0.384) 1.740 2.456 ( -0.140 -1.099 0.997) 1.490 2.498 ( 2.982 -1.246 0.257) 3.242 2.758 ( 0.311 13.305 -1.986) 13.456 2.767 ( -0.623 13.512 1.878) 13.656 3.000 ( 0.195 0.234 0.139) 0.335 3.039 ( 0.289 0.392 -0.031) 0.488 3.069 ( -0.540 5.095 0.429) 5.142 3.072 ( -0.754 5.442 -0.765) 5.547 3.374 ( 4.877 -1.733 0.790) 5.236 3.407 ( 4.473 -1.599 -0.878) 4.831 3.577 ( 3.137 4.215 -1.404) 5.438 3.674 ( 2.613 3.218 1.207) 4.317 3.787 ( 0.046 -4.196 0.290) 4.207 3.823 ( 1.915 -3.066 -0.283) 3.626 3.924 ( -0.515 -5.653 -1.412) 5.849 3.972 ( 0.595 -4.090 1.022) 4.258 4.069 ( 0.348 -0.387 -1.072) 1.192 4.133 ( 0.795 -2.873 1.556) 3.362 4.269 ( -4.203 0.635 1.049) 4.378 4.341 ( 0.294 0.774 -0.850) 1.186 4.638 ( -4.723 1.150 -0.889) 4.941 4.707 ( -5.813 0.920 -0.030) 5.886 4.740 ( 0.657 2.733 0.433) 2.844 4.776 ( 0.703 1.336 0.064) 1.511 4.991 ( -1.372 0.801 1.745) 2.360 5.215 ( 1.369 -2.851 -2.223) 3.865 5.524 ( -2.895 7.368 -0.196) 7.919 5.534 ( -2.532 7.706 0.563) 8.131 5.794 ( 5.640 2.493 -0.047) 6.167 5.820 ( 6.455 3.495 0.173) 7.342 6.272 ( 0.906 0.599 -0.201) 1.105 6.293 ( 1.506 0.132 0.169) 1.521 6.429 ( 2.523 1.541 0.480) 2.995 6.445 ( 3.091 1.482 -0.443) 3.456 6.645 ( 9.234 -0.800 -0.206) 9.271 6.735 ( 9.502 -1.987 0.818) 9.742 6.945 ( 2.854 -3.103 -0.098) 4.217 7.047 ( 4.290 -1.491 -1.290) 4.721 7.551 ( 1.431 -0.757 -1.052) 1.931 7.612 ( 4.592 -1.764 2.193) 5.386 7.727 ( -1.256 -4.748 -3.119) 5.818 7.787 ( 2.870 -3.715 1.938) 5.079 8.097 ( -9.613 -1.679 -0.269) 9.763 8.158 ( -7.447 -1.824 0.499) 7.683 8.269 ( -6.746 -3.140 0.525) 7.460 8.343 ( -5.161 -3.958 -0.623) 6.534 11.569 ( 0.317 -1.369 -0.056) 1.407 11.579 ( 0.303 -1.487 0.137) 1.523 11.635 ( 0.433 -1.834 0.074) 1.886 11.646 ( 0.474 -2.066 -0.253) 2.135 14.888 ( 1.835 1.019 0.192) 2.107 14.917 ( 2.718 1.152 -0.073) 2.953 15.034 ( -0.280 0.234 -0.632) 0.730 15.060 ( 0.305 1.050 0.516) 1.209 15.175 ( -1.543 4.554 -0.084) 4.809 15.189 ( -1.356 4.666 0.153) 4.861 15.267 ( -0.450 3.171 -0.151) 3.206 15.335 ( 2.206 5.462 0.036) 5.891 16.112 ( -3.139 -1.150 -3.599) 4.912 16.134 ( -4.729 -1.912 5.713) 7.658 16.526 ( -8.643 -5.866 -7.817) 13.046 16.759 ( -3.610 -11.485 5.283) 13.148 ======================= Grid point 78 (36/52) ======================= q-point: (-0.12 0.14 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( -5.320 11.824 5.286) 14.001 0.640 ( -8.209 16.611 4.219) 19.003 0.787 ( -8.434 8.475 -3.613) 12.490 0.900 ( -6.571 10.998 -6.631) 14.426 1.010 ( -18.563 14.593 4.109) 23.967 1.085 ( -6.881 2.492 3.495) 8.111 1.337 ( -1.363 0.851 1.392) 2.126 1.402 ( -0.602 0.959 -0.843) 1.411 1.440 ( 0.625 1.006 -1.559) 1.958 1.489 ( 0.723 2.558 0.028) 2.658 1.537 ( 0.222 1.697 0.046) 1.712 1.550 ( -0.116 -1.506 0.397) 1.562 1.600 ( -3.140 1.619 -3.905) 5.266 1.651 ( -0.955 0.627 -0.579) 1.281 1.669 ( 1.020 3.803 0.621) 3.986 1.801 ( 0.238 2.466 -2.007) 3.188 1.829 ( 0.863 0.291 1.787) 2.006 1.924 ( 0.487 0.689 -0.406) 0.936 2.004 ( -5.213 -2.378 0.494) 5.751 2.044 ( -6.400 -2.431 -0.643) 6.876 2.186 ( 0.076 0.803 1.391) 1.608 2.267 ( -1.074 0.182 -1.102) 1.550 2.444 ( -1.470 2.082 1.931) 3.198 2.528 ( -0.289 -1.143 -0.577) 1.312 2.832 ( 8.333 18.712 0.556) 20.491 2.868 ( 13.411 19.762 -0.473) 23.887 3.021 ( 1.888 0.560 0.577) 2.052 3.048 ( 0.936 1.938 -0.645) 2.247 3.078 ( 1.961 4.361 -1.058) 4.897 3.094 ( 3.156 6.497 0.662) 7.253 3.456 ( 0.730 -3.914 -1.841) 4.386 3.495 ( 5.167 -5.067 1.644) 7.422 3.590 ( -0.659 2.813 -0.228) 2.899 3.696 ( 0.475 -0.252 1.533) 1.624 3.814 ( 0.120 -5.659 -3.243) 6.523 3.878 ( 1.219 -4.431 0.065) 4.596 3.926 ( 2.369 0.860 -0.479) 2.565 3.991 ( 0.050 -3.856 0.562) 3.897 4.045 ( -1.581 0.605 -1.956) 2.587 4.106 ( -5.724 -2.638 2.826) 6.907 4.218 ( -1.221 1.794 -0.409) 2.208 4.370 ( -6.209 2.783 6.211) 9.213 4.428 ( -3.885 3.538 -3.418) 6.269 4.596 ( -4.788 1.711 -1.516) 5.306 4.662 ( -4.806 2.985 -0.986) 5.743 4.890 ( 4.632 -1.098 1.511) 4.994 5.021 ( 0.720 -1.990 0.419) 2.157 5.132 ( -7.039 -4.289 -5.029) 9.656 5.461 ( -2.656 6.801 -0.275) 7.306 5.482 ( -2.800 6.476 0.288) 7.061 5.889 ( 3.472 0.966 0.472) 3.635 5.926 ( 3.623 1.736 0.189) 4.022 6.279 ( 0.635 3.526 -0.067) 3.584 6.315 ( 1.602 3.241 -0.233) 3.623 6.491 ( 2.629 1.652 0.328) 3.122 6.517 ( 3.356 1.999 -0.314) 3.919 6.879 ( 14.171 0.044 0.890) 14.199 6.945 ( 12.257 -2.444 -1.560) 12.595 7.080 ( 11.148 -0.588 0.259) 11.166 7.162 ( 8.282 -0.636 -1.499) 8.441 7.556 ( -2.129 -0.487 2.251) 3.136 7.576 ( -10.585 -3.954 -2.661) 11.608 7.685 ( -4.775 -1.952 1.969) 5.522 7.809 ( -5.089 -6.769 -1.946) 8.689 7.894 ( -6.346 -1.451 -0.366) 6.520 7.980 ( -8.992 -2.182 -1.250) 9.337 8.101 ( -9.260 -2.736 -0.162) 9.657 8.183 ( -10.014 -3.109 0.269) 10.489 11.578 ( 0.488 -1.381 0.090) 1.467 11.586 ( 0.300 -1.404 -0.041) 1.436 11.640 ( 0.080 -1.807 -0.013) 1.809 11.646 ( -0.261 -2.076 -0.158) 2.098 14.930 ( 1.891 0.742 0.731) 2.159 14.969 ( 2.434 0.866 -0.601) 2.653 15.024 ( -0.421 0.101 0.039) 0.435 15.061 ( -0.470 0.629 0.023) 0.786 15.165 ( 0.535 5.925 0.149) 5.951 15.204 ( 2.593 5.609 0.566) 6.205 15.260 ( 1.533 5.930 -1.280) 6.257 15.395 ( 3.510 7.525 -0.069) 8.303 16.047 ( -1.350 -1.129 -1.786) 2.507 16.076 ( -2.910 -1.359 3.636) 4.851 16.294 ( -10.146 -4.394 -5.192) 12.215 16.617 ( -15.061 -16.225 0.139) 22.138 ======================= Grid point 79 (37/52) ======================= q-point: ( 0.00 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 1.577 13.344 7.281) 15.283 0.827 ( -3.191 15.631 3.782) 16.396 0.932 ( 3.248 13.607 -5.131) 14.901 0.945 ( -1.044 8.487 -7.919) 11.655 1.273 ( 0.556 9.181 3.703) 9.916 1.315 ( -0.410 13.378 -0.124) 13.385 1.354 ( -3.310 3.177 3.843) 5.985 1.420 ( 2.366 1.767 -2.518) 3.880 1.460 ( 1.712 -0.867 0.399) 1.960 1.474 ( -1.289 -1.687 -0.603) 2.207 1.525 ( -1.026 -1.170 1.351) 2.061 1.552 ( 1.385 -0.094 0.201) 1.403 1.638 ( -0.987 4.335 1.207) 4.607 1.688 ( 0.573 3.268 -0.498) 3.355 1.759 ( -1.213 -2.203 -2.252) 3.376 1.774 ( 1.808 -2.616 -2.928) 4.322 1.822 ( -1.693 -1.949 0.222) 2.591 1.833 ( 1.605 -1.670 -0.567) 2.384 1.955 ( -1.373 2.662 2.368) 3.818 1.993 ( 0.953 1.911 -1.393) 2.549 2.238 ( -0.074 2.394 1.337) 2.743 2.269 ( 0.048 2.143 -1.590) 2.669 2.458 ( 0.536 -2.113 0.967) 2.385 2.471 ( -0.714 -2.630 -0.009) 2.725 3.055 ( -0.337 2.080 1.483) 2.577 3.092 ( 0.402 2.032 -2.095) 2.946 3.141 ( -0.680 2.994 0.505) 3.112 3.151 ( 0.680 3.669 -0.442) 3.758 3.233 ( -0.386 -3.940 0.744) 4.028 3.247 ( 0.090 -3.379 -0.617) 3.436 3.345 ( 1.290 -3.885 1.763) 4.457 3.385 ( -1.262 -5.550 -1.979) 6.026 3.662 ( -0.107 0.840 0.779) 1.150 3.684 ( 0.082 1.486 -1.099) 1.849 3.761 ( 2.432 -3.357 1.629) 4.453 3.796 ( -1.847 -3.328 -1.854) 4.234 3.915 ( -2.925 1.926 3.877) 5.225 3.985 ( 1.948 0.128 -2.752) 3.374 4.054 ( 0.967 0.782 0.584) 1.373 4.071 ( -0.270 0.782 -0.780) 1.137 4.331 ( -4.179 8.795 3.131) 10.228 4.400 ( 6.960 9.077 -3.402) 11.933 4.509 ( -6.464 4.130 1.550) 7.826 4.536 ( 3.632 4.482 -1.087) 5.870 4.799 ( 2.437 6.228 3.193) 7.411 4.876 ( -3.287 4.614 -4.042) 6.959 4.998 ( 0.785 -2.699 1.126) 3.028 5.020 ( 0.047 -2.517 -0.896) 2.672 5.603 ( 0.173 8.081 0.201) 8.085 5.607 ( -0.158 8.226 -0.200) 8.230 5.928 ( 0.341 -0.769 0.820) 1.175 5.943 ( -0.322 -1.333 -0.542) 1.475 6.404 ( -0.499 4.676 0.988) 4.806 6.430 ( 0.902 3.724 -1.505) 4.117 6.539 ( -1.071 0.749 0.997) 1.643 6.555 ( 0.708 0.675 -0.577) 1.136 7.158 ( -2.030 -0.541 0.747) 2.230 7.173 ( 1.465 -1.636 -0.623) 2.283 7.212 ( 2.772 -1.898 0.790) 3.451 7.227 ( -2.009 -1.800 -0.606) 2.765 7.370 ( 4.232 2.281 1.151) 4.944 7.415 ( -5.836 2.559 -3.352) 7.200 7.554 ( -3.755 -1.020 0.857) 3.984 7.561 ( 5.104 -1.057 0.180) 5.215 7.865 ( 3.969 -3.500 0.779) 5.348 7.884 ( -4.526 -3.423 -0.991) 5.761 7.932 ( 3.231 -3.929 0.613) 5.124 7.942 ( -2.616 -3.318 -0.312) 4.237 11.549 ( 0.066 -1.602 0.129) 1.609 11.552 ( -0.067 -1.662 -0.149) 1.670 11.590 ( 0.013 -2.593 0.121) 2.596 11.592 ( 0.005 -2.563 -0.083) 2.564 14.981 ( 0.251 1.437 0.822) 1.674 15.001 ( -0.645 1.120 -1.101) 1.698 15.044 ( 0.932 0.672 1.050) 1.556 15.062 ( -0.528 0.609 -0.638) 1.028 15.290 ( -0.254 4.588 0.702) 4.649 15.314 ( 0.540 4.563 -1.725) 4.908 15.436 ( -1.600 2.766 4.485) 5.506 15.525 ( 1.664 -0.488 -4.044) 4.400 16.011 ( 1.469 -1.733 0.950) 2.463 16.041 ( -2.528 -1.789 -2.042) 3.709 16.132 ( 4.054 -2.965 1.855) 5.354 16.160 ( -3.448 -2.891 -0.894) 4.588 ======================= Grid point 80 (38/52) ======================= q-point: ( 0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.805 ( 0.837 12.797 -3.154) 13.207 0.886 ( 3.338 8.768 5.977) 11.124 0.959 ( 5.193 11.190 -0.067) 12.337 1.047 ( 6.969 10.673 -4.523) 13.526 1.314 ( 0.258 2.883 3.262) 4.361 1.336 ( 0.857 6.968 -1.432) 7.165 1.343 ( 3.854 10.048 2.059) 10.957 1.423 ( -0.561 -1.522 -0.634) 1.741 1.464 ( 1.855 0.623 -1.406) 2.409 1.508 ( 2.479 1.127 -0.390) 2.751 1.517 ( -0.334 -0.311 0.687) 0.825 1.589 ( 2.929 -2.842 -0.169) 4.085 1.646 ( 0.810 5.619 1.196) 5.802 1.704 ( 1.501 2.715 1.620) 3.500 1.753 ( 1.304 -1.662 0.101) 2.115 1.785 ( 2.928 6.634 -4.812) 8.703 1.823 ( 2.055 -3.242 0.917) 3.946 1.913 ( 2.404 -0.356 -0.638) 2.512 1.965 ( 3.062 -1.626 1.594) 3.816 2.026 ( 2.873 1.239 -1.047) 3.299 2.229 ( -0.920 1.959 0.742) 2.288 2.272 ( 0.358 1.896 -0.211) 1.941 2.452 ( -0.724 -2.787 -0.491) 2.921 2.478 ( 0.328 -2.168 0.875) 2.361 3.004 ( -4.975 0.266 0.756) 5.040 3.048 ( -4.415 1.374 -0.799) 4.693 3.097 ( -2.595 4.775 -0.277) 5.442 3.111 ( -3.657 4.577 0.254) 5.864 3.203 ( -1.509 3.139 0.645) 3.542 3.220 ( -1.404 1.591 -0.429) 2.165 3.337 ( -1.406 -2.680 -0.628) 3.091 3.377 ( -0.454 -4.809 0.632) 4.872 3.626 ( -0.394 -2.535 -1.110) 2.795 3.661 ( -1.417 -3.440 1.095) 3.878 3.741 ( -1.383 0.562 -0.887) 1.736 3.807 ( -1.051 -3.629 -0.612) 3.827 3.897 ( -0.774 -0.374 1.530) 1.755 4.015 ( -2.307 1.747 -0.082) 2.895 4.018 ( -2.612 0.630 -0.216) 2.696 4.074 ( 0.215 -2.389 -0.005) 2.399 4.338 ( 3.009 10.434 0.592) 10.876 4.444 ( -1.220 6.656 1.431) 6.916 4.585 ( 11.546 3.894 -2.565) 12.452 4.627 ( 5.469 4.425 0.854) 7.087 4.807 ( -0.961 5.727 -2.850) 6.469 4.871 ( -0.020 2.523 3.030) 3.943 4.981 ( 0.453 -1.657 0.531) 1.798 5.037 ( 1.493 -3.746 -1.131) 4.188 5.632 ( 2.970 8.512 -0.205) 9.018 5.643 ( 3.213 7.872 0.191) 8.505 5.921 ( -1.287 0.105 -0.199) 1.306 5.938 ( -1.000 -0.048 0.264) 1.035 6.367 ( -3.206 3.904 0.292) 5.060 6.390 ( -3.523 4.035 -0.578) 5.388 6.514 ( -2.370 0.594 0.483) 2.491 6.542 ( -2.775 0.128 -0.255) 2.789 6.887 ( -15.034 0.037 0.525) 15.043 6.909 ( -15.409 0.529 -0.544) 15.427 7.042 ( -11.628 -2.166 1.092) 11.878 7.131 ( -10.041 -4.133 -1.478) 10.959 7.477 ( 6.300 -0.725 0.051) 6.342 7.574 ( 2.567 -0.829 0.048) 2.698 7.616 ( 5.930 -2.824 1.025) 6.648 7.702 ( 1.266 -4.012 -0.758) 4.275 7.884 ( 9.634 -0.523 -0.889) 9.689 7.922 ( 6.624 -0.970 0.442) 6.709 8.043 ( 8.907 -3.777 -0.237) 9.678 8.085 ( 9.094 -5.175 0.505) 10.476 11.546 ( -0.415 -1.583 -0.130) 1.642 11.548 ( -0.322 -1.599 0.146) 1.638 11.589 ( -0.080 -2.616 -0.045) 2.618 11.594 ( 0.049 -2.702 -0.006) 2.702 14.965 ( -1.955 1.498 -0.137) 2.467 14.981 ( -1.281 1.556 0.573) 2.095 15.043 ( -0.661 0.254 -1.211) 1.402 15.062 ( 0.286 0.191 0.789) 0.861 15.285 ( -0.238 5.344 0.353) 5.361 15.312 ( -0.226 4.016 -0.857) 4.113 15.380 ( -3.395 5.061 1.124) 6.197 15.495 ( -3.108 0.945 -0.708) 3.325 16.017 ( 0.724 0.459 0.182) 0.876 16.078 ( 4.774 -2.462 0.357) 5.384 16.168 ( 6.771 -3.946 -2.193) 8.138 16.342 ( 11.013 -8.747 1.665) 14.163 ======================= Grid point 81 (39/52) ======================= q-point: ( 0.25 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 8.077 10.131 -3.034) 13.307 1.006 ( 4.965 6.795 1.918) 8.631 1.047 ( 4.172 6.129 3.410) 8.161 1.095 ( 2.430 7.181 -3.076) 8.182 1.280 ( -3.223 2.057 -0.155) 3.827 1.360 ( -0.345 2.493 1.417) 2.888 1.385 ( 1.477 0.675 0.152) 1.631 1.448 ( -0.502 1.210 -2.496) 2.818 1.487 ( 1.422 2.290 0.538) 2.749 1.523 ( 2.098 -0.379 1.822) 2.804 1.586 ( 1.719 2.075 -2.789) 3.878 1.635 ( 1.066 1.090 1.914) 2.447 1.669 ( 0.815 -0.738 -0.487) 1.202 1.749 ( 0.286 -0.495 2.587) 2.650 1.816 ( 3.262 1.129 -0.194) 3.457 1.856 ( 3.642 7.377 -0.414) 8.238 1.878 ( 5.665 8.010 -2.460) 10.115 1.920 ( 1.780 2.149 0.697) 2.876 2.061 ( 5.151 -3.230 -1.603) 6.288 2.093 ( 3.801 -0.848 1.100) 4.047 2.221 ( -0.296 1.836 0.216) 1.872 2.273 ( -0.378 1.032 0.915) 1.430 2.429 ( -1.563 -2.460 -0.389) 2.941 2.471 ( -1.662 -1.779 0.079) 2.436 2.922 ( -2.639 2.411 0.943) 3.697 2.943 ( -4.030 3.018 -0.920) 5.118 3.060 ( -0.982 4.320 -0.056) 4.430 3.073 ( -0.976 2.418 0.133) 2.611 3.198 ( 0.296 5.922 -0.339) 5.939 3.216 ( 1.198 4.178 0.279) 4.355 3.315 ( -1.022 -1.701 0.197) 1.994 3.346 ( -1.853 -2.824 -0.471) 3.410 3.622 ( -3.459 -0.670 -1.292) 3.752 3.672 ( 0.708 -5.747 0.892) 5.859 3.705 ( 2.556 -4.292 0.061) 4.996 3.776 ( -2.235 -3.198 0.952) 4.016 3.846 ( -6.127 1.503 -1.091) 6.402 3.905 ( -1.787 0.958 0.785) 2.175 4.016 ( -1.080 -2.788 0.333) 3.008 4.060 ( -1.342 -3.823 -0.378) 4.069 4.404 ( 3.055 10.620 -0.006) 11.051 4.442 ( -0.120 9.333 0.240) 9.336 4.684 ( -1.087 3.815 -0.056) 3.967 4.733 ( 2.013 1.800 -0.368) 2.726 4.839 ( 2.018 3.473 -0.214) 4.023 4.840 ( 3.720 4.404 0.250) 5.770 5.014 ( 1.888 -2.853 -2.199) 4.067 5.093 ( 2.757 -3.490 2.386) 5.047 5.704 ( 3.910 8.679 -0.104) 9.519 5.715 ( 3.604 8.042 0.212) 8.816 5.865 ( -4.157 2.821 -0.713) 5.075 5.889 ( -3.860 2.677 0.468) 4.720 6.289 ( -5.267 0.964 0.076) 5.355 6.304 ( -5.375 1.646 -0.066) 5.622 6.455 ( -3.089 -0.392 0.384) 3.137 6.460 ( -3.726 -0.405 -0.405) 3.770 6.651 ( -8.440 0.948 -1.016) 8.553 6.693 ( -6.809 0.325 1.200) 6.922 6.885 ( -5.157 -3.114 0.928) 6.095 6.967 ( -5.639 -5.778 -1.303) 8.178 7.536 ( -3.039 -0.021 -0.202) 3.046 7.570 ( 2.672 -3.021 1.266) 4.227 7.608 ( -4.093 -3.104 -0.937) 5.221 7.713 ( -0.255 -4.136 0.090) 4.145 8.071 ( 8.489 -1.328 -0.992) 8.650 8.103 ( 7.554 -1.970 0.982) 7.868 8.192 ( 6.397 -3.983 -0.280) 7.540 8.236 ( 5.190 -5.456 0.333) 7.538 11.536 ( -0.463 -1.504 -0.112) 1.578 11.542 ( -0.334 -1.636 0.123) 1.674 11.585 ( -0.384 -2.678 0.059) 2.706 11.590 ( -0.436 -2.709 -0.100) 2.746 14.923 ( -1.927 1.797 -0.259) 2.648 14.952 ( -1.969 2.246 0.539) 3.035 15.025 ( -0.459 -0.654 -0.707) 1.067 15.067 ( -0.127 -0.412 0.405) 0.592 15.294 ( 0.978 5.371 0.082) 5.460 15.301 ( 0.099 5.257 -0.038) 5.258 15.355 ( -0.102 4.119 -0.250) 4.128 15.433 ( -2.603 3.117 0.292) 4.071 16.064 ( 3.086 1.385 1.009) 3.530 16.176 ( 5.086 -3.038 -2.305) 6.357 16.302 ( 6.943 -5.530 0.626) 8.898 16.535 ( 7.443 -11.581 0.689) 13.784 ======================= Grid point 82 (40/52) ======================= q-point: ( 0.38 0.29 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 6.371 8.955 -1.197) 11.056 1.085 ( 6.960 1.934 -0.314) 7.230 1.141 ( 3.720 3.682 0.117) 5.235 1.208 ( 5.319 2.013 1.623) 5.914 1.229 ( 0.883 0.223 1.203) 1.509 1.345 ( -2.676 1.631 -1.167) 3.344 1.377 ( 0.073 3.452 -0.310) 3.466 1.451 ( 0.710 2.253 -0.147) 2.366 1.512 ( 0.678 0.691 0.364) 1.034 1.546 ( -1.877 1.796 1.382) 2.942 1.555 ( 0.740 1.344 -1.178) 1.934 1.632 ( -3.395 -0.978 -1.943) 4.032 1.677 ( -0.232 1.682 1.385) 2.191 1.713 ( -3.116 1.837 2.241) 4.255 1.805 ( -3.047 2.998 0.395) 4.293 1.873 ( 0.150 3.577 -3.354) 4.906 1.985 ( 5.816 7.185 -1.736) 9.405 1.999 ( 1.705 1.100 1.850) 2.745 2.144 ( 1.557 0.405 1.365) 2.110 2.168 ( 4.553 -1.327 -0.658) 4.788 2.223 ( 1.177 1.929 -0.668) 2.356 2.279 ( 0.200 0.133 1.273) 1.296 2.385 ( -2.556 -1.105 0.016) 2.785 2.421 ( -2.713 -1.139 -0.718) 3.029 2.908 ( 0.712 3.940 -0.935) 4.112 2.920 ( 0.686 3.534 0.880) 3.706 3.041 ( -1.087 1.537 -0.216) 1.894 3.056 ( -1.173 1.270 0.159) 1.736 3.212 ( 0.848 4.436 -0.152) 4.519 3.226 ( -0.659 2.523 0.023) 2.607 3.314 ( 1.696 1.333 0.126) 2.161 3.336 ( 1.282 1.391 -0.033) 1.892 3.518 ( -5.095 -0.545 0.201) 5.128 3.611 ( -7.602 -0.540 0.014) 7.622 3.746 ( 1.031 -9.785 0.177) 9.840 3.762 ( 1.084 -9.821 0.010) 9.881 3.832 ( 2.678 2.492 1.178) 3.843 3.903 ( 1.999 0.815 -1.100) 2.423 3.990 ( -1.921 -1.733 0.469) 2.629 4.020 ( -2.549 -2.164 -0.524) 3.384 4.454 ( 2.189 8.221 0.090) 8.508 4.466 ( 3.295 8.846 -0.042) 9.440 4.634 ( -2.952 3.957 0.548) 4.967 4.689 ( -3.163 3.218 -0.627) 4.556 4.919 ( 4.576 3.271 0.374) 5.638 4.930 ( 3.880 2.638 -0.368) 4.706 5.030 ( 0.481 -2.478 -1.066) 2.740 5.107 ( -2.714 -2.535 0.998) 3.846 5.750 ( 0.704 7.802 -0.201) 7.836 5.763 ( 0.993 7.561 0.228) 7.630 5.803 ( -1.149 5.165 0.483) 5.313 5.827 ( -1.869 4.494 -0.478) 4.891 6.173 ( -5.350 -0.865 -0.108) 5.421 6.190 ( -5.430 -0.735 0.147) 5.482 6.426 ( -0.233 -0.534 -0.031) 0.583 6.427 ( -0.174 -0.342 -0.065) 0.389 6.560 ( -1.524 2.607 -0.005) 3.020 6.622 ( -2.028 1.873 0.202) 2.768 6.834 ( -0.799 -5.005 0.089) 5.069 6.886 ( -2.521 -6.931 -0.387) 7.385 7.486 ( -2.065 0.268 0.674) 2.188 7.530 ( -2.461 -1.249 -1.480) 3.132 7.604 ( -0.102 -3.201 1.920) 3.734 7.681 ( -2.074 -3.908 -1.042) 4.545 8.185 ( 4.016 -2.518 -0.270) 4.748 8.205 ( 3.087 -2.759 0.255) 4.148 8.271 ( 1.918 -4.455 -0.109) 4.852 8.288 ( 0.453 -5.056 0.186) 5.080 11.529 ( -0.155 -1.587 0.029) 1.595 11.538 ( -0.137 -1.786 -0.050) 1.792 11.575 ( -0.528 -2.582 0.010) 2.636 11.579 ( -0.540 -2.635 0.011) 2.690 14.893 ( -0.995 1.973 0.031) 2.210 14.918 ( -1.473 2.523 -0.187) 2.927 15.019 ( -0.082 -1.120 0.447) 1.209 15.062 ( -0.441 -0.791 -0.274) 0.947 15.315 ( 1.342 5.147 -0.185) 5.322 15.325 ( 1.535 4.539 0.172) 4.794 15.356 ( 0.240 3.997 -0.182) 4.009 15.397 ( -1.497 3.980 0.249) 4.259 16.128 ( 2.335 1.636 1.554) 3.247 16.231 ( 2.631 -1.991 -4.167) 5.315 16.433 ( 4.594 -6.428 4.409) 9.047 16.630 ( 2.872 -11.120 -1.826) 11.629 ======================= Grid point 83 (41/52) ======================= q-point: (-0.50 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 2.670 3.299 0.842) 4.327 1.129 ( -3.341 1.673 -1.076) 3.889 1.202 ( -3.462 0.822 0.751) 3.637 1.234 ( 4.354 0.379 -1.529) 4.630 1.311 ( 1.972 4.999 0.061) 5.375 1.317 ( -2.373 4.258 -0.124) 4.876 1.413 ( 4.213 0.395 2.889) 5.124 1.465 ( -2.445 2.607 -0.127) 3.576 1.488 ( 0.343 1.853 0.459) 1.940 1.520 ( -3.058 1.252 0.784) 3.396 1.556 ( -1.021 3.031 -1.890) 3.716 1.577 ( 2.747 -1.184 -1.416) 3.310 1.661 ( -1.415 3.885 1.648) 4.451 1.696 ( 1.946 3.310 -1.503) 4.123 1.760 ( -2.449 2.018 4.329) 5.368 1.858 ( 1.567 1.497 -5.163) 5.600 2.007 ( -1.855 3.044 1.975) 4.075 2.043 ( 1.973 4.514 -2.094) 5.353 2.168 ( -0.301 -0.101 2.228) 2.251 2.203 ( 0.414 0.375 -1.342) 1.453 2.260 ( -1.349 0.311 0.859) 1.629 2.273 ( 0.724 0.197 -0.171) 0.770 2.360 ( -0.028 -0.505 0.648) 0.822 2.382 ( 0.237 -0.512 -1.289) 1.408 2.923 ( -1.125 4.154 0.305) 4.314 2.929 ( 1.070 3.965 -0.322) 4.120 3.027 ( -0.343 0.247 0.358) 0.554 3.036 ( 0.298 0.143 -0.416) 0.531 3.214 ( -0.387 3.435 0.373) 3.477 3.222 ( 0.483 2.312 -0.318) 2.383 3.355 ( -0.466 4.186 0.316) 4.223 3.360 ( 0.416 3.919 -0.147) 3.944 3.468 ( 1.152 -1.516 1.830) 2.640 3.507 ( -0.998 -2.089 -1.827) 2.950 3.748 ( -0.081 -10.601 0.837) 10.634 3.765 ( -0.082 -12.013 -0.635) 12.030 3.901 ( 0.435 0.485 1.962) 2.067 3.940 ( -2.064 0.497 -1.149) 2.414 3.958 ( 2.237 1.082 -0.321) 2.505 3.964 ( -0.559 2.072 -0.416) 2.186 4.496 ( 0.278 6.433 0.575) 6.465 4.509 ( -0.416 6.528 -0.606) 6.570 4.608 ( 0.693 4.190 1.557) 4.524 4.641 ( -0.482 3.967 -1.459) 4.254 4.976 ( -0.337 4.052 0.335) 4.079 4.984 ( 0.365 3.969 -0.443) 4.010 5.030 ( 1.420 -3.702 0.425) 3.988 5.040 ( -1.524 -3.457 -0.524) 3.814 5.770 ( 0.287 5.682 0.436) 5.706 5.780 ( -0.433 5.541 -0.485) 5.579 5.785 ( -0.195 6.744 0.511) 6.767 5.795 ( 0.355 6.340 -0.377) 6.361 6.125 ( 0.670 -0.461 0.145) 0.826 6.128 ( -0.652 -0.799 -0.082) 1.035 6.426 ( -0.119 -0.153 0.070) 0.206 6.428 ( 0.127 0.073 -0.159) 0.216 6.562 ( 0.963 2.890 1.287) 3.307 6.590 ( -1.072 2.683 -1.294) 3.166 6.838 ( -0.300 -6.439 0.819) 6.498 6.856 ( 0.372 -7.401 -0.904) 7.465 7.471 ( 0.003 0.258 1.105) 1.135 7.498 ( -0.004 -0.523 -1.502) 1.590 7.612 ( 0.245 -2.988 1.843) 3.519 7.646 ( -0.194 -3.368 -1.418) 3.660 8.227 ( -0.221 -3.330 0.415) 3.363 8.235 ( 0.193 -3.339 -0.377) 3.366 8.281 ( -0.460 -4.275 0.343) 4.314 8.288 ( 0.446 -4.614 -0.319) 4.647 11.530 ( 0.110 -1.744 0.194) 1.758 11.535 ( -0.128 -1.821 -0.234) 1.840 11.570 ( -0.038 -2.531 0.140) 2.535 11.573 ( 0.063 -2.553 -0.099) 2.556 14.887 ( 0.194 2.102 0.409) 2.151 14.898 ( -0.259 2.351 -0.586) 2.436 15.028 ( 0.449 -1.074 1.109) 1.608 15.049 ( -0.378 -0.976 -0.911) 1.388 15.334 ( 0.092 4.481 0.093) 4.483 15.338 ( -0.095 4.240 -0.376) 4.258 15.367 ( 0.241 4.375 0.507) 4.410 15.374 ( -0.249 4.373 -0.184) 4.384 16.163 ( -0.055 1.348 2.274) 2.644 16.228 ( -0.215 -0.701 -4.052) 4.117 16.525 ( 1.363 -7.679 5.838) 9.742 16.628 ( -1.083 -9.983 -4.102) 10.847 ======================= Grid point 84 (42/52) ======================= q-point: (-0.38 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -6.264 6.447 -1.681) 9.145 1.073 ( -6.126 4.417 0.965) 7.613 1.141 ( -8.064 2.092 0.855) 8.375 1.185 ( 0.731 1.266 0.740) 1.638 1.306 ( -2.442 -0.642 -1.845) 3.128 1.340 ( 2.231 2.228 -2.023) 3.746 1.350 ( -1.265 5.500 1.791) 5.921 1.476 ( -1.456 1.471 -1.169) 2.377 1.497 ( 0.503 -0.386 1.865) 1.970 1.535 ( 0.166 3.179 -0.847) 3.294 1.561 ( -0.189 2.500 0.034) 2.508 1.606 ( 4.178 -0.963 1.187) 4.449 1.687 ( 2.217 2.317 -0.195) 3.212 1.745 ( 0.308 2.762 1.657) 3.235 1.766 ( 1.957 0.622 0.918) 2.249 1.869 ( 1.663 3.415 -2.649) 4.631 1.961 ( -3.705 5.469 0.658) 6.638 2.039 ( -2.016 3.578 -1.558) 4.392 2.136 ( -5.073 -0.885 1.511) 5.366 2.182 ( -1.676 -0.463 -1.143) 2.080 2.207 ( -1.318 2.254 0.523) 2.663 2.286 ( -0.634 -0.649 0.709) 1.151 2.387 ( 2.652 -0.731 -0.030) 2.751 2.415 ( 2.689 -0.924 -0.431) 2.876 2.895 ( -0.921 3.480 0.230) 3.607 2.932 ( -0.453 3.926 -0.204) 3.958 3.037 ( 1.032 1.139 0.090) 1.540 3.059 ( 1.280 1.830 -0.072) 2.235 3.208 ( -0.783 3.906 0.081) 3.985 3.231 ( 0.459 2.845 -0.248) 2.893 3.313 ( -2.108 1.847 0.196) 2.809 3.340 ( -0.893 1.121 -0.232) 1.452 3.536 ( 4.827 -0.531 -1.138) 4.988 3.594 ( 7.737 -1.036 1.290) 7.912 3.753 ( -1.446 -10.281 -0.323) 10.387 3.757 ( -0.334 -8.584 0.304) 8.596 3.861 ( -1.834 0.994 1.104) 2.360 3.870 ( -2.966 1.808 -0.750) 3.554 4.003 ( 2.420 -2.601 0.163) 3.556 4.009 ( 1.980 -1.236 -0.406) 2.369 4.455 ( -2.397 8.505 0.046) 8.836 4.465 ( -3.110 8.554 0.017) 9.102 4.655 ( 2.504 3.751 -0.733) 4.569 4.670 ( 3.590 3.312 0.552) 4.915 4.921 ( -3.809 2.645 0.441) 4.658 4.927 ( -4.659 3.260 -0.393) 5.700 5.025 ( -1.236 -1.785 -0.679) 2.275 5.111 ( 3.649 -3.109 0.707) 4.846 5.749 ( -1.156 7.429 -0.153) 7.520 5.763 ( -0.634 7.945 0.234) 7.974 5.814 ( 2.011 4.522 0.754) 5.006 5.818 ( 1.005 5.140 -0.853) 5.306 6.175 ( 5.502 -0.946 -0.291) 5.590 6.189 ( 5.241 -0.659 0.300) 5.291 6.423 ( 0.147 -0.649 0.054) 0.667 6.428 ( 0.271 -0.249 -0.095) 0.380 6.574 ( 0.768 2.420 -1.229) 2.820 6.609 ( 2.946 2.167 1.425) 3.925 6.827 ( 0.172 -5.597 0.398) 5.614 6.891 ( 3.032 -6.471 -0.614) 7.172 7.499 ( 2.163 -0.488 0.839) 2.371 7.509 ( 1.877 -0.316 -0.939) 2.122 7.636 ( 0.939 -3.750 0.646) 3.919 7.658 ( 1.791 -3.573 -0.594) 4.040 8.182 ( -4.136 -2.601 -0.036) 4.886 8.208 ( -2.999 -2.644 0.061) 3.999 8.268 ( -1.742 -4.339 0.095) 4.677 8.291 ( -0.650 -5.157 -0.022) 5.197 11.532 ( 0.055 -1.610 -0.207) 1.625 11.535 ( 0.243 -1.737 0.222) 1.768 11.574 ( 0.439 -2.561 0.050) 2.599 11.581 ( 0.638 -2.689 -0.082) 2.764 14.897 ( 0.786 2.120 -0.212) 2.271 14.911 ( 1.598 2.182 0.297) 2.721 15.037 ( -0.158 -0.963 -1.173) 1.526 15.047 ( 0.766 -0.760 1.082) 1.528 15.313 ( -1.437 4.923 -0.089) 5.129 15.325 ( -1.380 4.722 0.118) 4.921 15.357 ( -0.288 4.216 -0.220) 4.231 15.398 ( 1.466 3.807 0.236) 4.086 16.153 ( -2.728 0.493 3.066) 4.133 16.176 ( -2.587 0.032 -3.252) 4.156 16.529 ( -4.842 -9.099 -1.992) 10.498 16.564 ( -2.221 -9.366 2.141) 9.861 ======================= Grid point 85 (43/52) ======================= q-point: (-0.25 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -9.353 10.620 -1.270) 14.209 1.003 ( -2.535 8.156 0.338) 8.547 1.026 ( -3.952 6.585 3.338) 8.374 1.147 ( -4.631 3.789 -3.674) 7.022 1.286 ( 2.214 0.075 -0.444) 2.260 1.351 ( 0.328 6.804 1.373) 6.949 1.396 ( 2.273 -0.406 -0.282) 2.326 1.433 ( -2.616 2.471 -0.735) 3.673 1.494 ( -0.716 1.195 -0.300) 1.425 1.522 ( -2.695 2.465 1.674) 4.017 1.548 ( -1.034 -0.412 0.439) 1.196 1.663 ( -2.815 0.459 -0.938) 3.003 1.670 ( 0.240 -1.341 -0.497) 1.451 1.763 ( -2.021 0.520 4.143) 4.639 1.793 ( 1.679 0.911 -1.319) 2.322 1.830 ( -9.964 7.573 -0.154) 12.516 1.886 ( -0.346 6.557 -0.650) 6.598 1.949 ( -2.918 2.439 -1.655) 4.148 2.046 ( -3.984 -2.074 -0.193) 4.496 2.113 ( -4.996 -1.940 -0.682) 5.403 2.211 ( 0.263 2.828 0.984) 3.006 2.281 ( 0.146 0.205 0.334) 0.418 2.430 ( 1.350 -1.557 -0.554) 2.133 2.463 ( 1.932 -2.004 0.693) 2.869 2.919 ( 3.170 1.997 0.927) 3.859 2.944 ( 3.423 3.485 -0.858) 4.960 3.057 ( 1.051 3.981 0.114) 4.119 3.077 ( 1.116 2.912 -0.148) 3.122 3.189 ( -0.459 4.866 0.255) 4.894 3.225 ( -0.865 5.293 -0.301) 5.372 3.313 ( 1.505 -2.130 0.275) 2.623 3.344 ( 1.160 -2.725 -0.314) 2.978 3.620 ( 2.985 -2.688 -0.953) 4.129 3.685 ( -1.719 -5.610 -0.156) 5.870 3.705 ( -1.899 -2.517 0.094) 3.155 3.788 ( 5.826 -3.128 0.547) 6.635 3.835 ( 1.413 1.118 -0.787) 1.966 3.898 ( 3.548 0.979 1.236) 3.883 4.033 ( 1.329 -2.447 -1.258) 3.056 4.043 ( 1.075 -4.008 1.203) 4.321 4.408 ( -2.667 11.202 -0.345) 11.521 4.438 ( -0.149 8.572 0.567) 8.592 4.693 ( 0.947 3.559 -0.821) 3.774 4.719 ( -2.707 2.638 0.642) 3.834 4.835 ( -1.913 3.884 0.110) 4.331 4.844 ( -3.858 3.727 -0.075) 5.365 4.980 ( -1.885 -1.974 0.477) 2.770 5.134 ( -1.707 -4.714 -0.724) 5.065 5.704 ( -3.738 8.423 -0.099) 9.216 5.715 ( -3.822 8.347 0.165) 9.182 5.858 ( 3.534 3.065 -0.207) 4.683 5.891 ( 4.336 2.630 0.224) 5.077 6.288 ( 4.828 1.269 0.131) 4.994 6.306 ( 5.822 1.333 -0.153) 5.974 6.451 ( 3.141 -0.206 0.302) 3.162 6.463 ( 3.686 -0.602 -0.300) 3.747 6.642 ( 7.957 1.179 -0.167) 8.046 6.705 ( 7.215 0.068 0.140) 7.216 6.880 ( 5.241 -3.458 1.194) 6.391 6.967 ( 5.629 -5.478 -1.213) 7.948 7.536 ( 1.457 -0.420 -0.176) 1.527 7.566 ( 2.443 -1.969 1.060) 3.312 7.631 ( -0.669 -3.821 -2.141) 4.431 7.700 ( 1.660 -4.179 1.216) 4.658 8.060 ( -8.699 -1.369 -0.086) 8.806 8.114 ( -7.056 -1.944 0.042) 7.319 8.191 ( -6.403 -3.940 -0.217) 7.521 8.237 ( -5.409 -5.529 0.274) 7.740 11.535 ( 0.388 -1.459 -0.067) 1.511 11.542 ( 0.412 -1.668 0.101) 1.721 11.585 ( 0.465 -2.601 0.059) 2.643 11.591 ( 0.353 -2.811 -0.132) 2.836 14.920 ( 1.687 1.876 -0.031) 2.523 14.953 ( 2.362 2.108 0.412) 3.193 15.028 ( -0.079 -0.685 -0.948) 1.172 15.066 ( 0.461 -0.360 0.555) 0.806 15.290 ( -0.828 5.486 0.223) 5.552 15.306 ( -0.154 5.303 -0.227) 5.310 15.352 ( 0.057 3.962 -0.074) 3.963 15.436 ( 2.534 3.123 0.127) 4.024 16.094 ( -3.919 -0.442 -1.052) 4.082 16.104 ( -3.878 0.234 2.193) 4.461 16.373 ( -8.160 -7.762 -4.513) 12.133 16.507 ( -6.351 -11.010 3.253) 13.120 ======================= Grid point 86 (44/52) ======================= q-point: (-0.12 0.29 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -1.944 14.500 2.427) 14.830 0.942 ( -6.396 12.498 3.469) 14.462 0.988 ( -2.494 9.022 -2.149) 9.604 1.029 ( -3.945 6.991 -5.130) 9.527 1.282 ( -3.878 10.128 2.918) 11.231 1.354 ( -3.370 8.666 0.016) 9.298 1.369 ( 0.480 3.339 0.672) 3.439 1.420 ( -1.217 0.177 0.125) 1.236 1.454 ( -1.480 0.737 -2.074) 2.652 1.483 ( -0.478 -0.842 1.638) 1.903 1.531 ( -0.431 -1.281 -0.552) 1.460 1.573 ( -5.127 2.457 1.477) 5.874 1.645 ( -0.028 1.104 0.542) 1.230 1.691 ( -1.760 4.503 1.010) 4.939 1.758 ( 0.039 -4.627 -0.667) 4.675 1.804 ( -1.120 1.913 -2.717) 3.506 1.848 ( -2.172 2.310 -1.586) 3.545 1.899 ( -3.353 -1.494 0.250) 3.679 1.979 ( -2.661 0.452 0.742) 2.800 2.016 ( -2.981 -0.271 -0.672) 3.068 2.223 ( 0.437 2.618 0.918) 2.808 2.282 ( -0.231 1.373 -0.628) 1.527 2.443 ( 0.516 -1.809 0.237) 1.896 2.482 ( -0.251 -2.947 0.461) 2.994 3.006 ( 4.208 0.602 0.660) 4.301 3.047 ( 5.456 1.376 -0.688) 5.669 3.096 ( 3.360 5.400 -0.155) 6.362 3.114 ( 2.647 3.733 0.008) 4.576 3.208 ( 1.931 1.384 0.694) 2.476 3.218 ( 0.998 3.937 -0.613) 4.108 3.337 ( 0.395 -3.936 -0.615) 4.003 3.378 ( 2.042 -4.210 0.541) 4.710 3.610 ( 0.366 -2.983 0.139) 3.009 3.673 ( 1.348 -2.504 0.099) 2.845 3.725 ( 0.831 -2.021 0.037) 2.185 3.822 ( 0.889 -1.844 -1.582) 2.587 3.908 ( 1.904 -0.661 0.917) 2.214 4.003 ( 5.000 3.214 0.429) 5.959 4.028 ( -1.760 -1.696 -0.762) 2.561 4.063 ( 0.544 -1.251 0.807) 1.585 4.358 ( -1.348 10.429 -1.005) 10.564 4.430 ( -2.885 5.160 2.847) 6.561 4.560 ( -8.089 7.399 -0.934) 11.002 4.641 ( -6.165 3.165 -0.351) 6.939 4.774 ( -1.080 5.900 0.142) 6.000 4.899 ( 3.652 1.405 0.296) 3.925 4.981 ( 0.302 -2.153 0.421) 2.215 5.053 ( -4.014 -3.471 -1.924) 5.645 5.631 ( -3.002 8.328 -0.091) 8.853 5.644 ( -3.204 8.064 0.097) 8.677 5.911 ( 1.356 0.727 0.411) 1.592 5.944 ( 0.973 -0.375 -0.109) 1.048 6.366 ( 3.364 4.237 0.335) 5.421 6.389 ( 3.300 3.758 -0.509) 5.027 6.520 ( 2.522 0.727 0.231) 2.635 6.538 ( 2.740 -0.110 -0.076) 2.744 6.884 ( 15.862 0.661 0.559) 15.885 6.913 ( 14.338 -0.308 -0.607) 14.355 7.058 ( 12.140 -1.930 0.551) 12.305 7.108 ( 9.479 -4.036 -0.533) 10.317 7.499 ( -7.278 -2.066 -1.828) 7.783 7.552 ( -1.223 0.141 1.905) 2.268 7.631 ( -4.263 -2.798 0.232) 5.105 7.701 ( -3.056 -4.149 -0.762) 5.209 7.871 ( -7.529 -0.308 0.061) 7.535 7.937 ( -8.757 -1.625 -0.709) 8.935 8.035 ( -8.571 -3.565 0.386) 9.291 8.090 ( -9.130 -5.056 0.122) 10.437 11.544 ( 0.411 -1.523 0.051) 1.578 11.550 ( 0.333 -1.659 -0.037) 1.693 11.590 ( 0.047 -2.642 -0.108) 2.645 11.593 ( -0.025 -2.666 0.082) 2.667 14.956 ( 1.710 1.600 0.353) 2.368 14.999 ( 1.933 1.834 -0.409) 2.695 15.024 ( 0.048 -0.159 0.196) 0.257 15.070 ( -0.122 0.207 -0.049) 0.245 15.285 ( 0.103 5.133 0.311) 5.143 15.314 ( 0.660 4.785 -0.958) 4.924 15.378 ( 2.896 4.085 1.281) 5.168 15.495 ( 3.192 1.418 -0.698) 3.562 16.022 ( -2.697 -0.967 -0.086) 2.866 16.059 ( -0.947 0.308 1.127) 1.504 16.182 ( -8.291 -5.452 -2.605) 10.259 16.350 ( -10.989 -9.295 1.099) 14.435 ======================= Grid point 87 (45/52) ======================= q-point: ( 0.00 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 1.387 12.744 3.512) 13.291 1.128 ( -2.906 11.499 -1.074) 11.909 1.165 ( 0.823 11.520 -0.734) 11.572 1.208 ( 1.615 10.831 -3.324) 11.444 1.298 ( -0.048 -6.907 2.649) 7.397 1.344 ( -1.057 -6.414 -1.422) 6.654 1.366 ( -1.369 -2.107 2.581) 3.602 1.408 ( 0.023 -2.894 -1.207) 3.135 1.446 ( 1.289 -0.227 0.006) 1.309 1.465 ( -0.323 -2.865 -1.637) 3.315 1.528 ( 1.275 1.485 1.525) 2.481 1.561 ( -0.658 -2.073 -1.178) 2.473 1.641 ( -1.024 0.201 1.843) 2.119 1.668 ( -0.373 -0.425 -0.356) 0.668 1.716 ( 1.481 -1.348 0.025) 2.003 1.732 ( -0.013 -1.991 -1.424) 2.448 1.861 ( -0.453 6.522 3.304) 7.325 1.926 ( 0.122 3.644 -2.579) 4.466 1.984 ( -0.726 -0.766 0.100) 1.061 1.990 ( 0.927 -1.366 -0.507) 1.727 2.303 ( -0.134 3.663 0.959) 3.789 2.326 ( 0.117 3.033 -1.022) 3.203 2.388 ( -0.073 -3.863 0.534) 3.900 2.400 ( 0.094 -3.687 -0.330) 3.703 3.097 ( -0.955 1.888 0.961) 2.324 3.126 ( 1.492 1.433 -1.809) 2.748 3.142 ( 0.056 -2.480 0.730) 2.586 3.158 ( -0.502 -1.426 -0.667) 1.652 3.225 ( -1.083 1.592 0.081) 1.927 3.229 ( 0.643 2.192 -0.198) 2.292 3.274 ( 0.142 -2.549 1.091) 2.777 3.291 ( 0.138 -3.319 -0.555) 3.368 3.641 ( -1.170 -0.402 1.273) 1.775 3.659 ( 1.575 -1.616 0.145) 2.261 3.705 ( -0.683 -1.039 0.368) 1.297 3.732 ( 0.595 -2.816 -1.617) 3.301 3.971 ( -1.353 2.036 1.249) 2.745 3.993 ( 1.093 0.122 -0.718) 1.313 4.044 ( -0.082 -0.811 0.243) 0.850 4.052 ( 0.148 -1.462 -0.388) 1.520 4.526 ( -1.494 7.415 2.340) 7.917 4.570 ( 2.823 5.088 -1.150) 5.931 4.602 ( -2.886 2.903 0.618) 4.140 4.631 ( 1.514 2.063 -1.578) 3.007 4.894 ( 1.205 2.654 2.047) 3.562 4.932 ( -1.047 -0.641 -0.280) 1.259 4.952 ( 0.261 0.072 -0.699) 0.750 4.972 ( -0.465 -1.551 -1.365) 2.118 5.768 ( 0.071 6.937 0.273) 6.943 5.774 ( -0.063 6.940 -0.291) 6.946 5.887 ( -0.350 -3.694 0.105) 3.712 5.889 ( 0.342 -3.642 -0.050) 3.658 6.489 ( -0.256 3.032 0.355) 3.064 6.500 ( 0.379 2.452 -0.784) 2.602 6.542 ( -0.383 -0.440 0.764) 0.961 6.553 ( 0.276 -0.899 -0.319) 0.993 7.144 ( 1.477 -0.131 0.351) 1.523 7.152 ( -3.016 -0.566 -0.491) 3.108 7.176 ( 3.311 -1.053 0.561) 3.519 7.186 ( -1.860 -1.667 -0.390) 2.528 7.436 ( 2.722 3.469 0.813) 4.483 7.462 ( -2.668 1.669 -1.638) 3.547 7.526 ( -2.400 -1.596 0.549) 2.934 7.532 ( 2.372 -1.912 0.145) 3.050 7.819 ( 2.413 -0.657 0.189) 2.508 7.827 ( -2.933 -1.221 -0.625) 3.238 7.861 ( 1.904 -2.161 0.768) 2.980 7.872 ( -1.327 -2.701 -0.380) 3.033 11.527 ( 0.035 -0.297 0.056) 0.304 11.528 ( -0.042 -0.343 -0.084) 0.356 11.542 ( 0.048 -1.604 0.114) 1.609 11.544 ( -0.033 -1.655 -0.079) 1.657 15.009 ( 0.154 0.992 0.470) 1.108 15.018 ( -0.284 0.245 -0.318) 0.491 15.060 ( 0.399 0.696 0.395) 0.894 15.069 ( -0.252 -0.040 -0.406) 0.479 15.384 ( -0.063 3.880 0.182) 3.885 15.394 ( 0.095 2.915 -0.826) 3.031 15.451 ( -0.333 -0.810 1.744) 1.952 15.480 ( 0.302 -3.141 -1.102) 3.342 15.993 ( 0.725 0.075 0.733) 1.034 16.009 ( -0.769 -1.210 -0.724) 1.606 16.092 ( 1.322 -0.600 0.596) 1.569 16.107 ( -1.302 -1.825 -0.787) 2.376 ======================= Grid point 88 (46/52) ======================= q-point: ( 0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -1.356 10.600 -2.998) 11.099 1.097 ( 0.511 10.521 3.994) 11.265 1.175 ( -0.252 5.538 0.371) 5.556 1.226 ( 0.612 2.706 -1.563) 3.184 1.338 ( 1.393 -2.858 -1.120) 3.371 1.357 ( 0.159 0.776 1.482) 1.680 1.381 ( 0.563 0.355 0.532) 0.852 1.429 ( 3.336 -0.264 1.450) 3.647 1.464 ( 1.041 -2.836 -1.251) 3.270 1.505 ( 4.119 -0.017 -0.323) 4.132 1.546 ( 0.443 -1.688 -1.320) 2.188 1.571 ( 1.328 -1.328 0.989) 2.123 1.657 ( 0.373 0.605 -0.711) 1.005 1.663 ( 4.043 0.373 0.897) 4.158 1.732 ( 2.016 0.051 1.034) 2.266 1.812 ( 6.596 -4.869 -1.117) 8.274 1.916 ( 3.820 6.408 2.609) 7.903 1.940 ( 2.913 4.350 -2.514) 5.808 1.975 ( 0.077 0.128 -0.116) 0.189 2.021 ( 2.737 -2.238 -0.330) 3.550 2.292 ( -1.218 3.647 0.464) 3.873 2.322 ( -0.422 2.585 -0.193) 2.626 2.384 ( -0.067 -3.174 -0.153) 3.179 2.410 ( 0.848 -3.754 0.009) 3.848 3.028 ( -4.669 2.752 0.566) 5.449 3.081 ( -4.038 2.140 -0.790) 4.638 3.108 ( -3.400 -3.360 0.706) 4.832 3.138 ( -2.534 -2.510 -0.796) 3.654 3.221 ( 0.424 1.997 -0.055) 2.043 3.238 ( 1.300 1.680 0.679) 2.231 3.298 ( 0.515 -2.217 -0.258) 2.291 3.313 ( 2.094 -2.614 -0.043) 3.350 3.601 ( -2.012 1.961 0.182) 2.816 3.651 ( -2.593 2.196 0.343) 3.415 3.682 ( -0.614 -4.134 -0.359) 4.195 3.729 ( -1.214 -3.812 -0.618) 4.048 3.942 ( -2.229 2.729 0.543) 3.565 3.992 ( -1.249 -1.751 0.143) 2.156 4.024 ( -2.995 -0.535 -0.176) 3.047 4.036 ( -1.921 -1.553 -0.016) 2.470 4.569 ( 4.365 8.971 0.779) 10.007 4.612 ( 3.108 7.277 0.730) 7.947 4.669 ( 7.406 1.529 -1.220) 7.660 4.705 ( 6.217 0.862 -0.213) 6.280 4.885 ( -2.192 2.035 -1.101) 3.188 4.915 ( -2.733 1.087 0.238) 2.951 4.936 ( 0.378 -1.843 0.778) 2.036 4.965 ( 0.189 -2.630 0.026) 2.637 5.797 ( 2.545 6.206 0.093) 6.709 5.801 ( 2.688 6.726 -0.123) 7.245 5.896 ( 1.012 -2.592 0.207) 2.791 5.910 ( 1.398 -2.898 -0.161) 3.221 6.446 ( -4.324 3.217 0.283) 5.397 6.465 ( -3.704 2.518 -0.556) 4.513 6.509 ( -3.914 -0.917 0.629) 4.069 6.524 ( -3.651 -1.562 -0.386) 3.990 6.913 ( -14.371 2.311 0.338) 14.560 6.939 ( -14.591 2.276 -0.539) 14.777 6.981 ( -12.543 -2.976 0.824) 12.918 7.027 ( -12.325 -4.893 -0.630) 13.276 7.500 ( 3.205 2.577 -0.644) 4.162 7.561 ( 2.027 -1.854 -0.044) 2.747 7.575 ( 2.545 -0.096 1.086) 2.769 7.615 ( 2.032 -3.445 -0.403) 4.020 7.896 ( 9.498 1.826 0.149) 9.673 7.923 ( 7.748 1.349 -0.353) 7.873 7.959 ( 8.891 -3.762 -0.093) 9.654 7.983 ( 8.491 -4.047 0.293) 9.411 11.524 ( -0.286 -0.228 -0.042) 0.368 11.526 ( -0.220 -0.251 0.049) 0.337 11.541 ( -0.189 -1.650 -0.046) 1.662 11.543 ( -0.087 -1.767 0.025) 1.769 14.996 ( -1.443 1.209 -0.139) 1.888 15.006 ( -0.863 0.442 0.473) 1.079 15.049 ( -1.286 0.433 -0.741) 1.547 15.060 ( -0.578 -0.378 0.420) 0.808 15.383 ( -0.189 3.322 0.222) 3.334 15.389 ( 0.024 2.997 -0.444) 3.029 15.433 ( -1.462 0.556 0.373) 1.608 15.473 ( -0.826 -2.447 -0.104) 2.584 16.037 ( 3.769 0.917 -1.122) 4.038 16.057 ( 4.693 -0.170 1.608) 4.964 16.110 ( 3.322 -0.063 -1.320) 3.575 16.185 ( 6.091 -5.823 0.770) 8.462 ======================= Grid point 89 (47/52) ======================= q-point: ( 0.25 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 2.122 7.542 -1.661) 8.009 1.145 ( 0.691 3.843 1.148) 4.069 1.177 ( 2.108 3.093 0.642) 3.798 1.206 ( -1.555 2.268 0.866) 2.883 1.300 ( -1.836 2.733 -1.842) 3.773 1.383 ( 0.726 0.651 -0.854) 1.296 1.397 ( 1.507 1.042 2.308) 2.947 1.458 ( -0.278 -3.312 -0.573) 3.373 1.489 ( 1.701 -1.398 0.829) 2.353 1.532 ( -0.019 3.423 -1.479) 3.729 1.562 ( 0.015 -4.350 -0.237) 4.356 1.601 ( 1.090 -2.859 0.396) 3.085 1.696 ( 3.133 3.403 0.889) 4.711 1.775 ( 1.871 -2.506 1.571) 3.500 1.802 ( 5.290 4.654 -0.395) 7.057 1.919 ( 2.747 -4.266 -2.408) 5.616 1.971 ( 2.776 1.829 0.374) 3.346 1.981 ( 1.929 1.439 0.257) 2.420 2.062 ( 7.817 4.187 0.029) 8.868 2.102 ( 5.306 0.316 -0.574) 5.346 2.272 ( -0.994 2.537 0.679) 2.808 2.299 ( -1.605 0.653 0.192) 1.743 2.391 ( 0.426 -0.468 -0.024) 0.633 2.423 ( 0.051 -2.536 -0.189) 2.543 2.963 ( -1.607 3.248 0.602) 3.673 3.010 ( -2.225 3.432 -0.542) 4.126 3.052 ( -2.230 -3.879 0.351) 4.488 3.088 ( -1.731 -3.066 -0.364) 3.540 3.230 ( 0.993 2.782 0.343) 2.974 3.273 ( 1.084 2.399 -0.413) 2.665 3.307 ( 0.871 -2.365 0.415) 2.555 3.335 ( 0.881 -1.471 -0.383) 1.756 3.564 ( -2.328 -0.275 -0.769) 2.467 3.609 ( -4.645 -0.848 -1.061) 4.840 3.631 ( -1.678 -1.449 0.876) 2.384 3.687 ( -3.685 -4.085 0.885) 5.572 3.906 ( -1.307 3.252 -0.155) 3.508 3.941 ( -3.100 1.259 0.214) 3.352 3.964 ( -1.291 -2.130 0.356) 2.517 3.990 ( -1.943 -3.033 -0.389) 3.623 4.661 ( 3.395 11.165 -0.139) 11.671 4.675 ( 1.945 10.605 0.168) 10.783 4.777 ( 1.418 3.379 -0.354) 3.682 4.821 ( 1.868 2.575 0.603) 3.238 4.855 ( 1.825 -0.582 -0.586) 2.004 4.862 ( 0.084 -1.483 0.236) 1.504 4.943 ( 1.064 -3.354 -1.156) 3.704 4.992 ( 1.842 -5.799 1.151) 6.192 5.854 ( 2.468 4.529 0.442) 5.177 5.856 ( 2.446 4.843 -0.111) 5.426 5.905 ( -0.990 0.570 -0.001) 1.143 5.919 ( -0.700 -0.134 -0.217) 0.745 6.334 ( -6.734 3.063 -0.061) 7.398 6.352 ( -6.897 2.735 0.098) 7.420 6.410 ( -4.972 -3.422 0.048) 6.036 6.417 ( -5.144 -2.966 -0.121) 5.939 6.707 ( -6.702 3.764 -0.492) 7.702 6.734 ( -5.980 2.966 0.621) 6.704 6.805 ( -6.004 -3.860 0.314) 7.144 6.838 ( -6.266 -5.571 -0.499) 8.399 7.534 ( 0.353 -0.379 0.685) 0.859 7.550 ( -1.884 -1.840 0.024) 2.634 7.560 ( -1.824 2.175 -0.373) 2.863 7.628 ( -0.900 -3.807 -0.316) 3.925 8.065 ( 6.872 0.987 -0.492) 6.960 8.081 ( 6.641 0.295 0.429) 6.661 8.112 ( 6.080 -3.121 0.060) 6.835 8.130 ( 5.529 -4.008 0.057) 6.830 11.517 ( -0.429 -0.074 -0.012) 0.436 11.520 ( -0.369 -0.199 0.014) 0.420 11.535 ( -0.374 -1.733 0.055) 1.774 11.538 ( -0.399 -1.839 -0.072) 1.883 14.964 ( -1.528 1.861 -0.223) 2.418 14.993 ( -0.886 0.160 0.972) 1.324 15.013 ( -1.715 0.758 -1.082) 2.165 15.047 ( -0.908 -1.435 0.274) 1.720 15.385 ( 0.396 2.761 0.207) 2.797 15.393 ( 0.553 2.866 -0.016) 2.919 15.416 ( -0.272 1.668 -0.373) 1.731 15.455 ( -0.856 -0.970 0.271) 1.322 16.120 ( 4.839 2.937 -0.552) 5.688 16.168 ( 4.869 3.078 0.971) 5.842 16.194 ( 5.782 -3.922 -0.883) 7.042 16.313 ( 5.995 -8.914 0.447) 10.752 ======================= Grid point 90 (48/52) ======================= q-point: ( 0.38 0.43 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 2.627 1.386 -0.106) 2.972 1.143 ( 0.915 0.003 -0.977) 1.338 1.197 ( -1.448 0.142 -1.233) 1.907 1.199 ( 0.127 1.234 1.836) 2.216 1.331 ( 5.281 6.754 -0.031) 8.573 1.397 ( 1.706 3.430 -0.275) 3.841 1.439 ( 0.807 -0.723 -0.210) 1.104 1.480 ( 2.849 -2.338 1.976) 4.182 1.516 ( 0.282 0.590 0.349) 0.741 1.527 ( 1.148 2.725 -0.989) 3.118 1.564 ( -0.737 -1.624 0.138) 1.789 1.600 ( 0.336 -2.556 -0.566) 2.639 1.736 ( -0.156 3.373 0.536) 3.418 1.765 ( -2.399 1.922 0.999) 3.232 1.839 ( -1.078 0.903 -0.200) 1.420 1.889 ( -2.605 -2.225 -2.815) 4.434 2.024 ( 1.980 1.619 2.280) 3.427 2.050 ( 3.251 -0.304 -0.619) 3.324 2.172 ( 2.233 2.055 -0.477) 3.072 2.184 ( 3.691 1.043 -1.330) 4.060 2.270 ( 0.547 1.868 0.796) 2.103 2.289 ( 0.301 0.171 1.293) 1.339 2.384 ( -1.055 0.833 -0.085) 1.347 2.402 ( -1.565 -0.738 -0.693) 1.864 2.970 ( 1.096 2.524 0.476) 2.793 2.990 ( -0.003 3.128 -0.467) 3.162 3.024 ( -1.008 -2.433 -0.047) 2.634 3.053 ( -2.083 -2.209 0.002) 3.036 3.256 ( 1.059 3.117 0.349) 3.310 3.280 ( 0.540 3.379 -0.416) 3.447 3.341 ( 2.072 -1.956 -0.005) 2.850 3.361 ( 1.626 -1.243 0.028) 2.047 3.484 ( -3.893 -1.418 -0.187) 4.147 3.537 ( -2.565 -5.487 0.620) 6.089 3.569 ( -5.290 -2.234 -0.200) 5.746 3.598 ( -4.344 -4.046 0.229) 5.941 3.911 ( 2.223 3.686 -0.104) 4.306 3.944 ( 2.349 1.850 -0.121) 2.993 3.969 ( 1.053 -1.070 0.281) 1.527 3.978 ( 0.719 -2.021 -0.193) 2.154 4.682 ( 0.330 10.736 -0.515) 10.753 4.691 ( 0.116 8.997 0.604) 9.018 4.743 ( -2.605 5.512 0.006) 6.096 4.782 ( -2.619 3.950 -0.117) 4.741 4.902 ( 1.857 -2.824 -0.146) 3.383 4.923 ( 2.667 -1.464 0.010) 3.043 4.971 ( 1.303 -4.415 -0.621) 4.645 5.015 ( -0.731 -6.446 0.691) 6.524 5.861 ( -1.945 2.962 -0.283) 3.555 5.868 ( -1.088 2.621 0.277) 2.852 5.881 ( -0.782 1.451 0.712) 1.796 5.887 ( -1.556 0.998 -0.660) 1.963 6.236 ( -2.312 6.001 -0.149) 6.432 6.253 ( -2.771 5.770 0.136) 6.403 6.366 ( 0.098 -5.023 0.057) 5.024 6.376 ( 0.282 -4.574 -0.094) 4.584 6.629 ( -1.790 3.639 -0.147) 4.058 6.674 ( -1.616 2.705 0.524) 3.195 6.723 ( -2.574 -4.760 -0.773) 5.466 6.756 ( -2.862 -4.722 0.368) 5.534 7.508 ( -1.607 1.340 -0.238) 2.106 7.524 ( -1.321 1.315 0.321) 1.892 7.544 ( -0.425 -2.116 0.697) 2.268 7.593 ( -1.763 -4.060 -0.775) 4.494 8.152 ( 2.729 -0.175 -0.269) 2.748 8.166 ( 2.176 -0.520 0.266) 2.253 8.186 ( 1.812 -3.141 -0.129) 3.628 8.193 ( 1.368 -3.119 0.176) 3.410 11.510 ( -0.307 -0.082 0.053) 0.322 11.513 ( -0.267 -0.298 -0.066) 0.406 11.528 ( -0.401 -1.661 0.071) 1.710 11.529 ( -0.399 -1.758 -0.059) 1.803 14.940 ( -0.819 2.244 0.063) 2.389 14.974 ( -1.426 1.917 -0.939) 2.567 14.988 ( -0.268 -1.058 1.031) 1.501 15.030 ( -0.834 -2.061 -0.166) 2.229 15.401 ( 0.940 2.312 0.148) 2.500 15.407 ( 0.702 2.864 0.015) 2.948 15.417 ( 0.513 1.553 -0.210) 1.649 15.445 ( -0.428 0.209 0.112) 0.489 16.200 ( 3.242 4.271 0.064) 5.362 16.240 ( 2.785 3.736 -1.388) 4.862 16.302 ( 4.213 -5.209 2.106) 7.023 16.403 ( 3.123 -9.656 -0.820) 10.181 ======================= Grid point 91 (49/52) ======================= q-point: (-0.50 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.683 0.424 -0.019) 0.804 1.141 ( -1.362 -0.402 -1.126) 1.812 1.197 ( -0.926 -0.561 0.582) 1.229 1.204 ( 1.382 -1.254 0.145) 1.872 1.410 ( 2.229 2.030 0.093) 3.017 1.417 ( -1.381 2.696 -0.237) 3.038 1.468 ( 2.566 3.441 0.719) 4.353 1.493 ( -3.591 3.419 -0.856) 5.031 1.522 ( -0.597 0.132 0.536) 0.814 1.532 ( -0.235 -0.542 0.253) 0.642 1.577 ( 2.159 0.308 1.048) 2.420 1.597 ( -0.765 0.416 -0.737) 1.141 1.727 ( -0.968 2.052 0.709) 2.377 1.742 ( 1.155 0.749 -0.718) 1.553 1.800 ( -1.891 1.837 1.581) 3.074 1.844 ( 1.302 -2.166 -2.657) 3.667 2.057 ( -0.176 1.804 1.609) 2.424 2.082 ( 0.621 -0.273 -0.710) 0.982 2.190 ( 0.199 1.607 -0.322) 1.651 2.206 ( 0.150 -0.013 -1.642) 1.649 2.291 ( -0.461 1.541 1.599) 2.268 2.299 ( -0.395 0.911 1.146) 1.516 2.366 ( -0.077 0.827 -0.460) 0.950 2.376 ( 0.318 -0.137 -1.139) 1.191 2.988 ( -0.324 1.873 0.025) 1.901 2.988 ( 0.407 1.805 0.002) 1.851 3.016 ( -1.088 -1.063 0.222) 1.537 3.020 ( 0.897 -1.269 -0.131) 1.560 3.271 ( 0.034 3.214 0.741) 3.298 3.287 ( 0.077 3.764 -0.716) 3.832 3.368 ( 0.200 -3.791 0.565) 3.838 3.378 ( -0.155 -2.903 -0.438) 2.940 3.455 ( 1.489 0.839 1.473) 2.256 3.486 ( -1.513 0.327 -1.423) 2.103 3.522 ( 0.586 -6.602 1.198) 6.736 3.547 ( -0.624 -6.162 -1.047) 6.282 3.954 ( 0.877 2.525 0.544) 2.728 3.968 ( -1.016 1.234 -0.729) 1.757 3.981 ( -0.868 0.492 0.518) 1.124 3.991 ( 1.047 0.097 -0.320) 1.099 4.693 ( -0.413 8.636 0.410) 8.656 4.704 ( -0.262 8.525 -0.354) 8.537 4.713 ( 1.775 5.778 0.878) 6.108 4.737 ( -1.170 4.570 -1.137) 4.852 4.930 ( 0.781 -3.609 0.675) 3.754 4.945 ( -0.573 -4.045 -0.750) 4.153 4.985 ( 0.478 -4.090 0.162) 4.121 4.986 ( -0.584 -4.300 0.051) 4.340 5.848 ( 0.759 1.393 0.029) 1.587 5.850 ( -1.048 1.396 -0.143) 1.752 5.864 ( -0.304 1.617 0.129) 1.650 5.866 ( 0.556 1.539 -0.034) 1.637 6.226 ( 0.403 7.905 0.132) 7.916 6.229 ( -0.405 7.958 -0.143) 7.970 6.376 ( -0.016 -4.991 0.314) 5.001 6.383 ( 0.009 -4.963 -0.341) 4.975 6.624 ( 0.878 2.941 0.928) 3.207 6.645 ( -1.141 2.421 -1.057) 2.877 6.710 ( 1.023 -4.961 0.499) 5.090 6.719 ( -0.754 -4.503 -0.372) 4.581 7.495 ( 0.359 1.966 0.279) 2.018 7.503 ( -0.555 1.258 -0.471) 1.453 7.548 ( 0.260 -2.714 1.058) 2.924 7.568 ( -0.048 -3.681 -0.862) 3.781 8.178 ( -0.325 -0.874 0.255) 0.966 8.183 ( 0.333 -1.123 -0.298) 1.209 8.201 ( -0.371 -2.659 0.126) 2.688 8.203 ( 0.352 -2.699 -0.048) 2.723 11.507 ( 0.018 -0.212 0.113) 0.241 11.510 ( -0.022 -0.306 -0.133) 0.334 11.523 ( -0.056 -1.621 0.093) 1.625 11.525 ( 0.065 -1.649 -0.072) 1.652 14.936 ( 0.239 2.246 0.483) 2.310 14.950 ( -0.425 2.001 -0.894) 2.233 14.997 ( 0.514 -1.333 1.113) 1.811 15.016 ( -0.316 -1.989 -0.693) 2.130 15.411 ( -0.080 2.432 0.102) 2.435 15.415 ( 0.096 2.600 -0.241) 2.613 15.429 ( 0.568 1.017 0.364) 1.221 15.435 ( -0.603 0.983 -0.172) 1.166 16.236 ( 0.139 5.071 0.568) 5.105 16.256 ( -0.286 3.689 -1.403) 3.958 16.368 ( 0.794 -6.350 2.826) 6.996 16.418 ( -0.637 -9.030 -2.040) 9.280 ======================= Grid point 92 (50/52) ======================= q-point: (-0.38 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -0.714 0.944 -0.680) 1.365 1.133 ( -1.975 -0.123 -0.370) 2.014 1.162 ( -0.506 3.357 1.714) 3.803 1.218 ( -0.678 -0.447 -0.065) 0.815 1.359 ( -3.179 3.763 -2.144) 5.373 1.389 ( -3.331 2.855 0.705) 4.443 1.435 ( 0.188 0.918 -0.249) 0.970 1.487 ( -1.264 2.845 2.300) 3.871 1.517 ( -0.801 -2.081 -0.310) 2.251 1.539 ( -2.195 0.422 -1.825) 2.885 1.560 ( 0.878 -2.017 0.384) 2.233 1.591 ( -0.529 -0.954 0.269) 1.123 1.732 ( 0.670 2.215 0.697) 2.416 1.774 ( 1.619 -0.686 1.198) 2.128 1.815 ( 0.611 3.967 -0.011) 4.014 1.885 ( 2.818 -1.798 -1.624) 3.716 2.037 ( -2.559 2.044 0.857) 3.385 2.066 ( -1.674 -0.667 -1.261) 2.200 2.164 ( -3.604 1.863 0.428) 4.080 2.176 ( -2.292 0.172 -1.206) 2.596 2.271 ( -0.686 2.743 0.685) 2.909 2.294 ( -0.854 0.560 0.960) 1.402 2.384 ( 1.537 0.312 0.094) 1.571 2.397 ( 1.619 -0.812 -0.588) 1.904 2.969 ( -1.205 3.532 0.588) 3.777 2.988 ( -0.194 1.830 -0.362) 1.876 3.031 ( 1.921 -1.477 -0.626) 2.503 3.047 ( 1.313 -2.804 0.548) 3.144 3.265 ( -0.866 2.510 0.070) 2.656 3.272 ( -0.785 3.952 -0.259) 4.037 3.343 ( -2.347 -1.786 -0.135) 2.952 3.360 ( -1.422 -1.660 0.117) 2.189 3.496 ( 2.633 -1.354 -1.228) 3.205 3.546 ( 5.275 -3.439 1.206) 6.412 3.560 ( 3.004 -3.808 -0.685) 4.898 3.591 ( 5.475 -4.355 0.882) 7.051 3.917 ( -2.672 2.525 -0.732) 3.749 3.935 ( -2.033 3.145 0.653) 3.802 3.959 ( -1.155 -1.611 0.464) 2.035 3.988 ( -0.713 -1.588 -0.456) 1.799 4.677 ( -0.407 10.257 0.032) 10.265 4.700 ( -0.265 9.876 -0.129) 9.880 4.750 ( 2.398 5.075 -0.698) 5.657 4.770 ( 3.271 3.877 0.865) 5.146 4.903 ( -2.541 -2.877 -0.221) 3.845 4.925 ( -2.055 -1.238 -0.158) 2.404 4.962 ( -1.765 -4.861 0.027) 5.172 5.021 ( 1.080 -6.022 0.186) 6.121 5.854 ( 1.330 2.705 0.207) 3.021 5.874 ( 0.944 1.359 0.319) 1.685 5.875 ( 2.059 2.487 0.038) 3.229 5.894 ( 1.043 1.403 -0.478) 1.813 6.238 ( 2.420 5.992 -0.319) 6.470 6.251 ( 2.668 5.705 0.324) 6.306 6.366 ( -0.311 -4.766 0.074) 4.777 6.376 ( -0.072 -4.777 -0.083) 4.778 6.635 ( 1.141 3.198 -0.662) 3.459 6.669 ( 2.788 3.209 1.001) 4.367 6.717 ( 1.535 -4.290 -0.369) 4.571 6.760 ( 3.364 -5.159 0.006) 6.159 7.505 ( 1.203 1.292 -0.020) 1.765 7.522 ( 1.816 1.591 0.251) 2.428 7.559 ( 0.572 -3.122 0.262) 3.185 7.582 ( 1.544 -3.344 -0.518) 3.719 8.148 ( -2.813 -0.144 0.030) 2.817 8.170 ( -2.135 -0.545 -0.020) 2.203 8.183 ( -1.736 -3.185 0.053) 3.628 8.196 ( -1.417 -3.063 -0.024) 3.375 11.511 ( 0.276 -0.199 0.010) 0.340 11.512 ( 0.302 -0.175 -0.009) 0.349 11.527 ( 0.362 -1.637 0.068) 1.678 11.530 ( 0.440 -1.789 -0.078) 1.844 14.945 ( 0.571 2.135 -0.333) 2.235 14.957 ( 1.278 1.647 0.548) 2.156 15.010 ( 0.358 -1.195 -0.918) 1.549 15.021 ( 1.131 -1.551 0.678) 2.035 15.403 ( -0.636 3.013 0.087) 3.081 15.405 ( -0.882 2.657 0.002) 2.799 15.420 ( -0.647 1.220 -0.441) 1.450 15.441 ( 0.405 0.031 0.417) 0.582 16.205 ( -3.535 4.258 -0.254) 5.539 16.220 ( -2.723 4.133 0.224) 4.955 16.348 ( -4.401 -7.218 -1.187) 8.537 16.373 ( -2.660 -8.014 1.179) 8.526 ======================= Grid point 93 (51/52) ======================= q-point: (-0.25 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -3.351 7.751 -0.753) 8.478 1.139 ( 1.133 1.801 0.505) 2.187 1.169 ( -1.112 5.951 2.272) 6.466 1.212 ( 0.317 1.264 -0.162) 1.313 1.307 ( 0.271 3.316 -1.919) 3.841 1.373 ( 0.249 -2.081 0.522) 2.160 1.425 ( -0.975 -1.060 -0.232) 1.459 1.474 ( -1.145 -2.658 -2.190) 3.629 1.490 ( 0.015 4.119 2.092) 4.620 1.508 ( -0.859 0.848 -0.779) 1.436 1.562 ( -1.166 -1.626 -0.043) 2.002 1.594 ( 0.324 -4.873 0.785) 4.947 1.722 ( -3.230 3.499 -0.890) 4.844 1.773 ( -4.756 4.190 1.736) 6.572 1.785 ( -1.642 -1.778 0.978) 2.610 1.890 ( -2.260 -4.332 -0.475) 4.910 1.972 ( -4.405 3.692 -0.641) 5.783 2.018 ( -1.823 -0.866 -1.468) 2.496 2.052 ( -6.643 4.359 0.638) 7.971 2.095 ( -5.635 -0.257 0.022) 5.641 2.280 ( 0.665 2.844 0.180) 2.926 2.298 ( 1.096 0.942 0.261) 1.468 2.398 ( -0.204 -0.936 -0.646) 1.155 2.415 ( 0.133 -2.197 0.419) 2.240 2.968 ( 1.370 3.391 0.414) 3.681 3.001 ( 2.630 2.688 -0.139) 3.763 3.066 ( 1.997 -3.326 -0.588) 3.924 3.077 ( 2.031 -2.943 0.453) 3.605 3.244 ( -1.038 2.729 -0.542) 2.970 3.261 ( -0.531 2.511 0.403) 2.598 3.309 ( -1.168 -2.100 0.359) 2.429 3.332 ( -1.096 -1.792 -0.286) 2.119 3.552 ( 2.488 -0.151 0.003) 2.493 3.601 ( 2.806 -2.414 -0.238) 3.709 3.645 ( 2.328 -0.541 -0.264) 2.405 3.699 ( 4.379 -4.030 -0.002) 5.951 3.900 ( 1.702 3.271 0.198) 3.692 3.938 ( 2.505 1.356 0.418) 2.879 3.967 ( 1.755 -2.521 0.174) 3.077 3.988 ( 1.588 -2.455 -0.325) 2.942 4.656 ( -2.655 10.501 0.147) 10.832 4.677 ( -3.074 11.150 0.050) 11.566 4.781 ( -0.986 3.437 -0.539) 3.616 4.825 ( -3.302 2.045 0.408) 3.905 4.847 ( 0.095 -1.223 -0.142) 1.235 4.867 ( -0.946 0.518 -0.217) 1.100 4.922 ( -0.979 -3.088 0.494) 3.277 5.011 ( -1.501 -6.917 -0.272) 7.083 5.852 ( -2.520 4.978 0.261) 5.585 5.863 ( -2.555 4.974 -0.249) 5.598 5.902 ( 0.975 0.370 0.185) 1.059 5.918 ( 0.886 -0.380 -0.152) 0.976 6.334 ( 6.647 2.960 -0.091) 7.277 6.352 ( 7.136 2.885 0.092) 7.698 6.407 ( 4.862 -3.446 0.160) 5.962 6.419 ( 5.119 -2.999 -0.173) 5.935 6.699 ( 6.605 3.783 0.094) 7.612 6.747 ( 5.899 3.393 -0.372) 6.816 6.792 ( 6.422 -4.428 0.963) 7.860 6.844 ( 5.984 -5.390 -0.662) 8.081 7.542 ( 1.874 0.423 0.356) 1.954 7.551 ( 0.583 1.484 -0.078) 1.596 7.567 ( 0.510 -2.090 -1.055) 2.396 7.613 ( 1.351 -3.781 0.738) 4.082 8.056 ( -7.024 1.252 0.141) 7.136 8.089 ( -6.414 -0.079 -0.189) 6.418 8.113 ( -5.938 -3.184 0.014) 6.738 8.130 ( -5.736 -3.809 0.052) 6.885 11.517 ( 0.382 -0.027 -0.044) 0.386 11.520 ( 0.422 -0.241 0.054) 0.489 11.536 ( 0.432 -1.701 0.040) 1.756 11.538 ( 0.331 -1.879 -0.067) 1.909 14.962 ( 1.340 1.906 -0.092) 2.331 14.990 ( 1.462 0.178 0.851) 1.701 15.016 ( 1.042 0.592 -1.062) 1.601 15.047 ( 1.131 -1.353 0.300) 1.789 15.390 ( -0.478 2.911 -0.094) 2.951 15.395 ( -0.199 3.569 -0.104) 3.576 15.409 ( -0.009 1.089 -0.029) 1.089 15.454 ( 0.841 -1.266 0.289) 1.548 16.115 ( -5.197 2.709 -0.186) 5.864 16.154 ( -4.197 3.586 0.939) 5.599 16.224 ( -6.612 -5.080 -2.164) 8.614 16.303 ( -5.384 -8.019 1.340) 9.751 ======================= Grid point 94 (52/52) ======================= q-point: (-0.12 0.43 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( 0.475 11.880 1.262) 11.956 1.157 ( 0.592 6.057 -0.788) 6.137 1.163 ( -0.334 6.489 0.979) 6.571 1.209 ( -0.303 4.831 -0.624) 4.880 1.320 ( -0.597 0.272 0.110) 0.666 1.388 ( -1.988 -1.551 -1.126) 2.761 1.397 ( 1.811 -2.095 0.116) 2.771 1.432 ( -4.286 -2.116 1.472) 5.001 1.465 ( -2.923 -0.901 -1.778) 3.538 1.505 ( -0.431 2.533 0.095) 2.571 1.514 ( -2.690 -0.512 0.686) 2.823 1.584 ( -1.216 -3.078 -0.033) 3.310 1.650 ( -1.508 2.188 -0.087) 2.659 1.692 ( -2.113 0.016 -1.525) 2.605 1.726 ( -4.320 -1.336 2.015) 4.950 1.796 ( -5.114 -3.168 -0.400) 6.029 1.888 ( -3.652 5.278 1.942) 6.706 1.967 ( -2.867 2.691 -1.240) 4.123 1.987 ( -0.230 -0.865 -1.648) 1.875 2.008 ( -2.455 -0.112 0.806) 2.586 2.293 ( 0.525 3.661 0.334) 3.713 2.323 ( 0.887 1.996 -0.092) 2.186 2.386 ( -0.158 -2.753 -0.444) 2.793 2.407 ( -0.732 -3.679 0.267) 3.761 3.033 ( 4.459 2.586 0.299) 5.163 3.077 ( 4.341 2.310 -0.584) 4.952 3.111 ( 2.615 -3.775 0.598) 4.631 3.136 ( 3.454 -1.964 -0.782) 4.049 3.223 ( -0.890 2.616 -0.109) 2.765 3.251 ( -0.613 1.955 -0.258) 2.065 3.287 ( -1.495 -2.802 0.445) 3.207 3.310 ( -1.403 -3.144 0.158) 3.447 3.590 ( 2.358 2.044 0.724) 3.204 3.651 ( 1.582 -0.740 0.732) 1.894 3.674 ( 1.637 -0.674 -0.466) 1.831 3.740 ( 0.712 -4.285 -1.017) 4.461 3.952 ( 2.528 2.429 -0.117) 3.508 3.987 ( 0.640 -1.161 0.513) 1.422 4.023 ( 3.431 -0.960 -0.267) 3.573 4.031 ( 1.713 -1.563 0.350) 2.345 4.581 ( -3.703 8.366 -0.327) 9.155 4.591 ( -5.235 7.735 1.975) 9.546 4.678 ( -5.264 1.890 -1.526) 5.798 4.702 ( -6.939 0.521 0.049) 6.959 4.866 ( 0.998 2.552 0.342) 2.761 4.904 ( 2.351 -1.231 0.452) 2.692 4.949 ( 1.820 0.158 -0.060) 1.828 4.986 ( -0.662 -2.728 -1.003) 2.981 5.795 ( -2.713 6.654 0.119) 7.187 5.805 ( -2.642 6.452 -0.215) 6.975 5.901 ( -1.000 -2.192 0.030) 2.410 5.905 ( -1.367 -3.373 0.059) 3.640 6.449 ( 4.270 3.290 0.209) 5.395 6.464 ( 3.849 2.818 -0.613) 4.810 6.511 ( 3.599 -1.477 0.859) 3.984 6.519 ( 3.904 -1.373 -0.431) 4.161 6.918 ( 15.073 2.594 0.153) 15.295 6.934 ( 13.545 2.097 -0.282) 13.709 6.995 ( 13.452 -3.491 0.329) 13.901 7.012 ( 11.724 -4.341 -0.117) 12.502 7.506 ( -4.127 2.471 -1.203) 4.959 7.559 ( -1.629 0.008 0.660) 1.758 7.579 ( -0.806 -1.769 0.421) 1.989 7.609 ( -3.214 -3.860 -0.025) 5.023 7.894 ( -8.396 2.400 0.249) 8.735 7.923 ( -9.028 0.477 -0.329) 9.047 7.960 ( -8.816 -2.986 -0.156) 9.309 7.984 ( -8.357 -4.411 0.186) 9.451 11.524 ( 0.261 -0.152 0.010) 0.302 11.527 ( 0.262 -0.298 -0.015) 0.397 11.540 ( 0.088 -1.688 -0.035) 1.691 11.543 ( 0.172 -1.753 0.039) 1.762 14.991 ( 1.356 1.461 0.218) 2.005 15.015 ( 0.688 -0.743 0.029) 1.013 15.039 ( 1.451 1.690 -0.039) 2.228 15.065 ( 0.658 -0.719 -0.089) 0.979 15.385 ( -0.127 3.854 0.048) 3.857 15.394 ( 0.341 2.535 -0.794) 2.678 15.426 ( 1.287 0.778 0.913) 1.759 15.474 ( 0.896 -2.716 -0.144) 2.864 16.022 ( -3.760 1.285 0.241) 3.981 16.076 ( -4.957 -3.083 0.399) 5.851 16.100 ( -3.136 2.357 -1.030) 4.056 16.193 ( -5.940 -5.761 0.210) 8.278 =================== 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 3/14112 10.0 37.596 49.862 23.091 0.000 1.089 0.000 3/14112 20.0 8.920 12.818 4.582 0.000 0.253 0.000 3/14112 30.0 4.351 6.209 2.130 0.000 0.096 0.000 3/14112 40.0 2.794 3.945 1.336 0.000 0.052 0.000 3/14112 50.0 2.056 2.878 0.966 0.000 0.035 0.000 3/14112 60.0 1.637 2.271 0.757 0.000 0.026 0.000 3/14112 70.0 1.369 1.883 0.623 0.000 0.020 0.000 3/14112 80.0 1.184 1.612 0.531 0.000 0.017 0.000 3/14112 90.0 1.047 1.413 0.463 0.000 0.015 0.000 3/14112 100.0 0.942 1.260 0.411 0.000 0.013 0.000 3/14112 110.0 0.858 1.139 0.370 0.000 0.012 0.000 3/14112 120.0 0.789 1.040 0.337 0.000 0.011 0.000 3/14112 130.0 0.731 0.958 0.310 0.000 0.010 0.000 3/14112 140.0 0.682 0.889 0.287 0.000 0.009 0.000 3/14112 150.0 0.640 0.830 0.267 0.000 0.009 0.000 3/14112 160.0 0.603 0.778 0.250 0.000 0.008 0.000 3/14112 170.0 0.570 0.733 0.236 0.000 0.008 0.000 3/14112 180.0 0.541 0.694 0.223 0.000 0.007 0.000 3/14112 190.0 0.514 0.658 0.211 0.000 0.007 0.000 3/14112 200.0 0.491 0.627 0.201 0.000 0.007 0.000 3/14112 210.0 0.469 0.598 0.191 0.000 0.006 0.000 3/14112 220.0 0.450 0.572 0.183 0.000 0.006 0.000 3/14112 230.0 0.432 0.548 0.175 0.000 0.006 0.000 3/14112 240.0 0.415 0.527 0.168 0.000 0.006 0.000 3/14112 250.0 0.400 0.507 0.162 0.000 0.006 0.000 3/14112 260.0 0.386 0.488 0.156 0.000 0.005 0.000 3/14112 270.0 0.373 0.471 0.150 0.000 0.005 0.000 3/14112 280.0 0.360 0.455 0.145 0.000 0.005 0.000 3/14112 290.0 0.349 0.441 0.140 0.000 0.005 0.000 3/14112 300.0 0.338 0.427 0.136 0.000 0.005 0.000 3/14112 310.0 0.328 0.414 0.131 0.000 0.005 0.000 3/14112 320.0 0.319 0.402 0.128 0.000 0.004 0.000 3/14112 330.0 0.310 0.390 0.124 0.000 0.004 0.000 3/14112 340.0 0.301 0.379 0.120 0.000 0.004 0.000 3/14112 350.0 0.293 0.369 0.117 0.000 0.004 0.000 3/14112 360.0 0.286 0.359 0.114 0.000 0.004 0.000 3/14112 370.0 0.278 0.350 0.111 0.000 0.004 0.000 3/14112 380.0 0.272 0.342 0.108 0.000 0.004 0.000 3/14112 390.0 0.265 0.333 0.106 0.000 0.004 0.000 3/14112 400.0 0.259 0.326 0.103 0.000 0.004 0.000 3/14112 410.0 0.253 0.318 0.101 0.000 0.004 0.000 3/14112 420.0 0.247 0.311 0.098 0.000 0.003 0.000 3/14112 430.0 0.242 0.304 0.096 0.000 0.003 0.000 3/14112 440.0 0.237 0.298 0.094 0.000 0.003 0.000 3/14112 450.0 0.232 0.291 0.092 0.000 0.003 0.000 3/14112 460.0 0.227 0.285 0.090 0.000 0.003 0.000 3/14112 470.0 0.222 0.280 0.088 0.000 0.003 0.000 3/14112 480.0 0.218 0.274 0.086 0.000 0.003 0.000 3/14112 490.0 0.214 0.269 0.085 0.000 0.003 0.000 3/14112 500.0 0.210 0.264 0.083 0.000 0.003 0.000 3/14112 510.0 0.206 0.259 0.082 0.000 0.003 0.000 3/14112 520.0 0.202 0.254 0.080 0.000 0.003 0.000 3/14112 530.0 0.198 0.250 0.079 0.000 0.003 0.000 3/14112 540.0 0.195 0.245 0.077 0.000 0.003 0.000 3/14112 550.0 0.191 0.241 0.076 0.000 0.003 0.000 3/14112 560.0 0.188 0.237 0.074 0.000 0.003 0.000 3/14112 570.0 0.185 0.233 0.073 0.000 0.003 0.000 3/14112 580.0 0.182 0.229 0.072 0.000 0.003 0.000 3/14112 590.0 0.179 0.225 0.071 0.000 0.002 0.000 3/14112 600.0 0.176 0.222 0.070 0.000 0.002 0.000 3/14112 610.0 0.173 0.218 0.069 0.000 0.002 0.000 3/14112 620.0 0.171 0.215 0.067 0.000 0.002 0.000 3/14112 630.0 0.168 0.212 0.066 0.000 0.002 0.000 3/14112 640.0 0.166 0.209 0.065 0.000 0.002 0.000 3/14112 650.0 0.163 0.206 0.064 0.000 0.002 0.000 3/14112 660.0 0.161 0.203 0.064 0.000 0.002 0.000 3/14112 670.0 0.158 0.200 0.063 0.000 0.002 0.000 3/14112 680.0 0.156 0.197 0.062 0.000 0.002 0.000 3/14112 690.0 0.154 0.194 0.061 0.000 0.002 0.000 3/14112 700.0 0.152 0.192 0.060 0.000 0.002 0.000 3/14112 710.0 0.150 0.189 0.059 0.000 0.002 0.000 3/14112 720.0 0.148 0.186 0.058 0.000 0.002 0.000 3/14112 730.0 0.146 0.184 0.058 0.000 0.002 0.000 3/14112 740.0 0.144 0.182 0.057 0.000 0.002 0.000 3/14112 750.0 0.142 0.179 0.056 0.000 0.002 0.000 3/14112 760.0 0.140 0.177 0.055 0.000 0.002 0.000 3/14112 770.0 0.139 0.175 0.055 0.000 0.002 0.000 3/14112 780.0 0.137 0.173 0.054 0.000 0.002 0.000 3/14112 790.0 0.135 0.171 0.053 0.000 0.002 0.000 3/14112 800.0 0.133 0.169 0.053 0.000 0.002 0.000 3/14112 810.0 0.132 0.167 0.052 0.000 0.002 0.000 3/14112 820.0 0.130 0.165 0.051 0.000 0.002 0.000 3/14112 830.0 0.129 0.163 0.051 0.000 0.002 0.000 3/14112 840.0 0.127 0.161 0.050 0.000 0.002 0.000 3/14112 850.0 0.126 0.159 0.050 0.000 0.002 0.000 3/14112 860.0 0.124 0.157 0.049 0.000 0.002 0.000 3/14112 870.0 0.123 0.156 0.049 0.000 0.002 0.000 3/14112 880.0 0.122 0.154 0.048 0.000 0.002 0.000 3/14112 890.0 0.120 0.152 0.047 0.000 0.002 0.000 3/14112 900.0 0.119 0.151 0.047 0.000 0.002 0.000 3/14112 910.0 0.118 0.149 0.046 0.000 0.002 0.000 3/14112 920.0 0.117 0.147 0.046 0.000 0.002 0.000 3/14112 930.0 0.115 0.146 0.045 0.000 0.002 0.000 3/14112 940.0 0.114 0.144 0.045 0.000 0.002 0.000 3/14112 950.0 0.113 0.143 0.044 0.000 0.002 0.000 3/14112 960.0 0.112 0.142 0.044 0.000 0.002 0.000 3/14112 970.0 0.111 0.140 0.044 0.000 0.002 0.000 3/14112 980.0 0.110 0.139 0.043 0.000 0.001 0.000 3/14112 990.0 0.109 0.137 0.043 0.000 0.001 0.000 3/14112 1000.0 0.107 0.136 0.042 0.000 0.001 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m873.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:35:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|