----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 20:57:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.563237170151615 0.000000000000000 0.000000000000000 b 0.000000000000000 7.426637410000001 0.000000000000000 c -2.110850152970969 0.000000000000000 6.732969604039432 Atomic positions (fractional): *1 La 0.38239670346552 0.64511508648344 0.08381572503385 138.905 2 La 0.38239670346552 0.85488491351656 0.58381572503385 138.905 *3 La 0.97716511178963 0.37512479203480 0.76478976128674 138.905 4 La 0.61760329653448 0.35488491351656 0.91618427496615 138.905 5 La 0.97716511178963 0.12487520796520 0.26478976128674 138.905 6 La 0.02283488821037 0.62487520796520 0.23521023871326 138.905 7 La 0.61760329653448 0.14511508648344 0.41618427496615 138.905 8 La 0.02283488821037 0.87512479203480 0.73521023871326 138.905 *9 Ge 0.29781534732647 0.41087546034726 0.54088038814996 72.640 10 Ge 0.29781534732647 0.08912453965274 0.04088038814996 72.640 11 Ge 0.70218465267353 0.91087546034726 0.95911961185004 72.640 12 Ge 0.70218465267353 0.58912453965274 0.45911961185004 72.640 *13 O 0.59056467056440 0.77426740102596 0.44507076556862 15.999 *14 O 0.10841052479363 0.13796664192552 0.98927869549768 15.999 15 O 0.89158947520637 0.86203335807448 0.01072130450232 15.999 *16 O 0.88613736410334 0.12028843231187 0.55066398111081 15.999 17 O 0.40943532943560 0.22573259897404 0.55492923443138 15.999 18 O 0.10841052479363 0.36203335807448 0.48927869549768 15.999 *19 O 0.63021100588861 0.04584441664322 0.74816502432614 15.999 20 O 0.11386263589666 0.87971156768813 0.44933601888919 15.999 21 O 0.36978899411139 0.54584441664322 0.75183497567386 15.999 *22 O 0.29118193768189 0.92170351859031 0.85579132529336 15.999 23 O 0.40943532943560 0.27426740102595 0.05492923443138 15.999 24 O 0.88613736410334 0.37971156768813 0.05066398111081 15.999 25 O 0.63021100588861 0.45415558335678 0.24816502432614 15.999 26 O 0.59056467056440 0.72573259897404 0.94507076556862 15.999 27 O 0.36978899411139 0.95415558335678 0.25183497567386 15.999 28 O 0.11386263589666 0.62028843231187 0.94933601888919 15.999 29 O 0.70881806231811 0.07829648140969 0.14420867470664 15.999 30 O 0.70881806231811 0.42170351859031 0.64420867470664 15.999 31 O 0.89158947520637 0.63796664192552 0.51072130450232 15.999 32 O 0.29118193768189 0.57829648140969 0.35579132529336 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.563237170151615 0.000000000000000 0.000000000000000 b 0.000000000000000 7.426637410000001 0.000000000000000 c -2.110850152970969 0.000000000000000 6.732969604039432 Atomic positions (fractional): *1 La 0.38239670346552 0.64511508648344 0.08381572503385 138.905 > 1 2 La 0.38239670346552 0.85488491351656 0.58381572503385 138.905 > 2 *3 La 0.97716511178963 0.37512479203480 0.76478976128674 138.905 > 3 4 La 0.61760329653448 0.35488491351656 0.91618427496615 138.905 > 4 5 La 0.97716511178963 0.12487520796520 0.26478976128674 138.905 > 5 6 La 0.02283488821037 0.62487520796520 0.23521023871326 138.905 > 6 7 La 0.61760329653448 0.14511508648344 0.41618427496615 138.905 > 7 8 La 0.02283488821037 0.87512479203480 0.73521023871326 138.905 > 8 *9 Ge 0.29781534732647 0.41087546034726 0.54088038814996 72.640 > 9 10 Ge 0.29781534732647 0.08912453965274 0.04088038814996 72.640 > 10 11 Ge 0.70218465267353 0.91087546034726 0.95911961185004 72.640 > 11 12 Ge 0.70218465267353 0.58912453965274 0.45911961185004 72.640 > 12 *13 O 0.59056467056440 0.77426740102596 0.44507076556862 15.999 > 13 *14 O 0.10841052479363 0.13796664192552 0.98927869549768 15.999 > 14 15 O 0.89158947520637 0.86203335807448 0.01072130450232 15.999 > 15 *16 O 0.88613736410334 0.12028843231187 0.55066398111081 15.999 > 16 17 O 0.40943532943560 0.22573259897404 0.55492923443138 15.999 > 17 18 O 0.10841052479363 0.36203335807448 0.48927869549768 15.999 > 18 *19 O 0.63021100588861 0.04584441664322 0.74816502432614 15.999 > 19 20 O 0.11386263589666 0.87971156768813 0.44933601888919 15.999 > 20 21 O 0.36978899411139 0.54584441664322 0.75183497567386 15.999 > 21 *22 O 0.29118193768189 0.92170351859031 0.85579132529336 15.999 > 22 23 O 0.40943532943560 0.27426740102595 0.05492923443138 15.999 > 23 24 O 0.88613736410334 0.37971156768813 0.05066398111081 15.999 > 24 25 O 0.63021100588861 0.45415558335678 0.24816502432614 15.999 > 25 26 O 0.59056467056440 0.72573259897404 0.94507076556862 15.999 > 26 27 O 0.36978899411139 0.95415558335678 0.25183497567386 15.999 > 27 28 O 0.11386263589666 0.62028843231187 0.94933601888919 15.999 > 28 29 O 0.70881806231811 0.07829648140969 0.14420867470664 15.999 > 29 30 O 0.70881806231811 0.42170351859031 0.64420867470664 15.999 > 30 31 O 0.89158947520637 0.63796664192552 0.51072130450232 15.999 > 31 32 O 0.29118193768189 0.57829648140969 0.35579132529336 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.563237170151615 0.000000000000000 0.000000000000000 b 0.000000000000000 14.853274820000003 0.000000000000000 c -4.221700305941938 0.000000000000000 13.465939208078863 Atomic positions (fractional): *1 La 0.38239670346552 0.32255754324172 0.04190786251692 138.905 > 1 2 La 0.38239670346552 0.82255754324172 0.04190786251692 138.905 > 1 3 La 0.38239670346552 0.32255754324172 0.54190786251693 138.905 > 1 4 La 0.38239670346552 0.82255754324172 0.54190786251693 138.905 > 1 5 La 0.38239670346552 0.42744245675828 0.29190786251693 138.905 > 2 6 La 0.38239670346552 0.92744245675828 0.29190786251693 138.905 > 2 7 La 0.38239670346552 0.42744245675828 0.79190786251693 138.905 > 2 8 La 0.38239670346552 0.92744245675828 0.79190786251693 138.905 > 2 *9 La 0.97716511178963 0.18756239601740 0.38239488064337 138.905 > 3 10 La 0.97716511178963 0.68756239601740 0.38239488064337 138.905 > 3 11 La 0.97716511178963 0.18756239601740 0.88239488064337 138.905 > 3 12 La 0.97716511178963 0.68756239601740 0.88239488064337 138.905 > 3 13 La 0.61760329653448 0.17744245675828 0.45809213748307 138.905 > 4 14 La 0.61760329653448 0.67744245675828 0.45809213748307 138.905 > 4 15 La 0.61760329653448 0.17744245675828 0.95809213748307 138.905 > 4 16 La 0.61760329653448 0.67744245675828 0.95809213748307 138.905 > 4 17 La 0.97716511178963 0.06243760398260 0.13239488064337 138.905 > 5 18 La 0.97716511178963 0.56243760398260 0.13239488064337 138.905 > 5 19 La 0.97716511178963 0.06243760398260 0.63239488064337 138.905 > 5 20 La 0.97716511178963 0.56243760398260 0.63239488064337 138.905 > 5 21 La 0.02283488821037 0.31243760398260 0.11760511935663 138.905 > 6 22 La 0.02283488821037 0.81243760398260 0.11760511935663 138.905 > 6 23 La 0.02283488821037 0.31243760398260 0.61760511935663 138.905 > 6 24 La 0.02283488821037 0.81243760398260 0.61760511935663 138.905 > 6 25 La 0.61760329653448 0.07255754324172 0.20809213748308 138.905 > 7 26 La 0.61760329653448 0.57255754324172 0.20809213748308 138.905 > 7 27 La 0.61760329653448 0.07255754324172 0.70809213748307 138.905 > 7 28 La 0.61760329653448 0.57255754324172 0.70809213748307 138.905 > 7 29 La 0.02283488821037 0.43756239601740 0.36760511935663 138.905 > 8 30 La 0.02283488821037 0.93756239601740 0.36760511935663 138.905 > 8 31 La 0.02283488821037 0.43756239601740 0.86760511935663 138.905 > 8 32 La 0.02283488821037 0.93756239601740 0.86760511935663 138.905 > 8 *33 Ge 0.29781534732647 0.20543773017363 0.27044019407498 72.640 > 9 34 Ge 0.29781534732647 0.70543773017363 0.27044019407498 72.640 > 9 35 Ge 0.29781534732647 0.20543773017363 0.77044019407498 72.640 > 9 36 Ge 0.29781534732647 0.70543773017363 0.77044019407498 72.640 > 9 37 Ge 0.29781534732647 0.04456226982637 0.02044019407498 72.640 > 10 38 Ge 0.29781534732647 0.54456226982637 0.02044019407498 72.640 > 10 39 Ge 0.29781534732647 0.04456226982637 0.52044019407498 72.640 > 10 40 Ge 0.29781534732647 0.54456226982637 0.52044019407498 72.640 > 10 41 Ge 0.70218465267353 0.45543773017363 0.47955980592502 72.640 > 11 42 Ge 0.70218465267353 0.95543773017363 0.47955980592502 72.640 > 11 43 Ge 0.70218465267353 0.45543773017363 0.97955980592502 72.640 > 11 44 Ge 0.70218465267353 0.95543773017363 0.97955980592502 72.640 > 11 45 Ge 0.70218465267353 0.29456226982637 0.22955980592502 72.640 > 12 46 Ge 0.70218465267353 0.79456226982637 0.22955980592502 72.640 > 12 47 Ge 0.70218465267353 0.29456226982637 0.72955980592502 72.640 > 12 48 Ge 0.70218465267353 0.79456226982637 0.72955980592502 72.640 > 12 *49 O 0.59056467056440 0.38713370051298 0.22253538278431 15.999 > 13 50 O 0.59056467056440 0.88713370051298 0.22253538278431 15.999 > 13 51 O 0.59056467056440 0.38713370051298 0.72253538278431 15.999 > 13 52 O 0.59056467056440 0.88713370051298 0.72253538278431 15.999 > 13 *53 O 0.10841052479363 0.06898332096276 0.49463934774884 15.999 > 14 54 O 0.10841052479363 0.56898332096276 0.49463934774884 15.999 > 14 55 O 0.10841052479363 0.06898332096276 0.99463934774884 15.999 > 14 56 O 0.10841052479363 0.56898332096276 0.99463934774884 15.999 > 14 57 O 0.89158947520637 0.43101667903724 0.00536065225116 15.999 > 15 58 O 0.89158947520637 0.93101667903724 0.00536065225116 15.999 > 15 59 O 0.89158947520637 0.43101667903724 0.50536065225116 15.999 > 15 60 O 0.89158947520637 0.93101667903724 0.50536065225116 15.999 > 15 *61 O 0.88613736410334 0.06014421615593 0.27533199055540 15.999 > 16 62 O 0.88613736410334 0.56014421615593 0.27533199055540 15.999 > 16 63 O 0.88613736410334 0.06014421615593 0.77533199055540 15.999 > 16 64 O 0.88613736410334 0.56014421615593 0.77533199055540 15.999 > 16 65 O 0.40943532943560 0.11286629948702 0.27746461721569 15.999 > 17 66 O 0.40943532943560 0.61286629948702 0.27746461721569 15.999 > 17 67 O 0.40943532943560 0.11286629948702 0.77746461721569 15.999 > 17 68 O 0.40943532943560 0.61286629948702 0.77746461721569 15.999 > 17 69 O 0.10841052479363 0.18101667903724 0.24463934774884 15.999 > 18 70 O 0.10841052479363 0.68101667903724 0.24463934774884 15.999 > 18 71 O 0.10841052479363 0.18101667903724 0.74463934774884 15.999 > 18 72 O 0.10841052479363 0.68101667903724 0.74463934774884 15.999 > 18 *73 O 0.63021100588861 0.02292220832161 0.37408251216307 15.999 > 19 74 O 0.63021100588861 0.52292220832161 0.37408251216307 15.999 > 19 75 O 0.63021100588861 0.02292220832161 0.87408251216307 15.999 > 19 76 O 0.63021100588861 0.52292220832161 0.87408251216307 15.999 > 19 77 O 0.11386263589666 0.43985578384407 0.22466800944460 15.999 > 20 78 O 0.11386263589666 0.93985578384407 0.22466800944460 15.999 > 20 79 O 0.11386263589666 0.43985578384407 0.72466800944460 15.999 > 20 80 O 0.11386263589666 0.93985578384407 0.72466800944460 15.999 > 20 81 O 0.36978899411139 0.27292220832161 0.37591748783693 15.999 > 21 82 O 0.36978899411139 0.77292220832161 0.37591748783693 15.999 > 21 83 O 0.36978899411139 0.27292220832161 0.87591748783693 15.999 > 21 84 O 0.36978899411139 0.77292220832161 0.87591748783693 15.999 > 21 *85 O 0.29118193768189 0.46085175929516 0.42789566264668 15.999 > 22 86 O 0.29118193768189 0.96085175929516 0.42789566264668 15.999 > 22 87 O 0.29118193768189 0.46085175929516 0.92789566264668 15.999 > 22 88 O 0.29118193768189 0.96085175929516 0.92789566264668 15.999 > 22 89 O 0.40943532943560 0.13713370051298 0.02746461721569 15.999 > 23 90 O 0.40943532943560 0.63713370051298 0.02746461721569 15.999 > 23 91 O 0.40943532943560 0.13713370051298 0.52746461721569 15.999 > 23 92 O 0.40943532943560 0.63713370051298 0.52746461721569 15.999 > 23 93 O 0.88613736410334 0.18985578384407 0.02533199055540 15.999 > 24 94 O 0.88613736410334 0.68985578384407 0.02533199055540 15.999 > 24 95 O 0.88613736410334 0.18985578384407 0.52533199055540 15.999 > 24 96 O 0.88613736410334 0.68985578384407 0.52533199055540 15.999 > 24 97 O 0.63021100588861 0.22707779167839 0.12408251216307 15.999 > 25 98 O 0.63021100588861 0.72707779167839 0.12408251216307 15.999 > 25 99 O 0.63021100588861 0.22707779167839 0.62408251216307 15.999 > 25 100 O 0.63021100588861 0.72707779167839 0.62408251216307 15.999 > 25 101 O 0.59056467056440 0.36286629948702 0.47253538278431 15.999 > 26 102 O 0.59056467056440 0.86286629948702 0.47253538278431 15.999 > 26 103 O 0.59056467056440 0.36286629948702 0.97253538278431 15.999 > 26 104 O 0.59056467056440 0.86286629948702 0.97253538278431 15.999 > 26 105 O 0.36978899411139 0.47707779167839 0.12591748783693 15.999 > 27 106 O 0.36978899411139 0.97707779167839 0.12591748783693 15.999 > 27 107 O 0.36978899411139 0.47707779167839 0.62591748783693 15.999 > 27 108 O 0.36978899411139 0.97707779167839 0.62591748783693 15.999 > 27 109 O 0.11386263589666 0.31014421615593 0.47466800944460 15.999 > 28 110 O 0.11386263589666 0.81014421615593 0.47466800944460 15.999 > 28 111 O 0.11386263589666 0.31014421615593 0.97466800944460 15.999 > 28 112 O 0.11386263589666 0.81014421615593 0.97466800944460 15.999 > 28 113 O 0.70881806231811 0.03914824070484 0.07210433735332 15.999 > 29 114 O 0.70881806231811 0.53914824070484 0.07210433735332 15.999 > 29 115 O 0.70881806231811 0.03914824070484 0.57210433735332 15.999 > 29 116 O 0.70881806231811 0.53914824070484 0.57210433735332 15.999 > 29 117 O 0.70881806231811 0.21085175929516 0.32210433735332 15.999 > 30 118 O 0.70881806231811 0.71085175929516 0.32210433735332 15.999 > 30 119 O 0.70881806231811 0.21085175929516 0.82210433735332 15.999 > 30 120 O 0.70881806231811 0.71085175929516 0.82210433735332 15.999 > 30 121 O 0.89158947520637 0.31898332096276 0.25536065225116 15.999 > 31 122 O 0.89158947520637 0.81898332096276 0.25536065225116 15.999 > 31 123 O 0.89158947520637 0.31898332096276 0.75536065225116 15.999 > 31 124 O 0.89158947520637 0.81898332096276 0.75536065225116 15.999 > 31 125 O 0.29118193768189 0.28914824070484 0.17789566264668 15.999 > 32 126 O 0.29118193768189 0.78914824070484 0.17789566264668 15.999 > 32 127 O 0.29118193768189 0.28914824070484 0.67789566264668 15.999 > 32 128 O 0.29118193768189 0.78914824070484 0.67789566264668 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0462785 0.0000000 0.0698722 0.0000000 4.0704996 0.0000000 0.0692991 0.0000000 4.1215031 -------------------------- Born effective charges -------------------------- 1 La 4.6220655 -0.1085892 -0.2887437 -0.0407006 3.9219605 -0.0116972 -0.2974962 0.0465158 4.6596228 2 La 4.6220655 0.1085892 -0.2887437 0.0407006 3.9219605 0.0116972 -0.2974962 -0.0465158 4.6596228 3 La 3.6599799 -0.0920331 0.0221551 0.1904953 4.2912177 0.3246623 -0.0123033 0.4246629 4.5330067 4 La 4.6220655 -0.1085892 -0.2887437 -0.0407006 3.9219605 -0.0116972 -0.2974962 0.0465158 4.6596228 5 La 3.6599799 0.0920331 0.0221551 -0.1904953 4.2912177 -0.3246623 -0.0123033 -0.4246629 4.5330067 6 La 3.6599799 -0.0920331 0.0221551 0.1904953 4.2912177 0.3246623 -0.0123033 0.4246629 4.5330067 7 La 4.6220655 0.1085892 -0.2887437 0.0407006 3.9219605 0.0116972 -0.2974962 -0.0465158 4.6596228 8 La 3.6599799 0.0920331 0.0221551 -0.1904953 4.2912177 -0.3246623 -0.0123033 -0.4246629 4.5330067 9 Ge 3.1681357 -0.2450207 0.4048965 -0.0672482 3.3357546 -0.0635199 0.4251037 -0.1426283 2.9266831 10 Ge 3.1681357 0.2450207 0.4048965 0.0672482 3.3357546 0.0635199 0.4251037 0.1426283 2.9266831 11 Ge 3.1681357 0.2450207 0.4048965 0.0672482 3.3357546 0.0635199 0.4251037 0.1426283 2.9266831 12 Ge 3.1681357 -0.2450207 0.4048965 -0.0672482 3.3357546 -0.0635199 0.4251037 -0.1426283 2.9266831 13 O -2.2869518 0.4659915 0.0408045 0.5978007 -2.3951650 -0.1614774 -0.0010824 -0.1668322 -1.6878062 14 O -2.6419766 0.3508990 -0.2044979 0.4549649 -2.0793904 0.1466348 -0.1463679 0.0587523 -2.1589493 15 O -2.6419766 0.3508990 -0.2044979 0.4549649 -2.0793904 0.1466348 -0.1463679 0.0587523 -2.1589493 16 O -2.6155921 0.3036138 -0.1556981 0.2828047 -2.6344018 0.0196791 -0.1398165 -0.0286662 -2.7084548 17 O -2.2869518 0.4659915 0.0408045 0.5978007 -2.3951650 -0.1614774 -0.0010824 -0.1668322 -1.6878062 18 O -2.6419766 -0.3508990 -0.2044979 -0.4549649 -2.0793904 -0.1466348 -0.1463679 -0.0587523 -2.1589493 19 O -1.6391407 -0.2145976 -0.0374721 -0.1344734 -2.3492721 0.2954838 -0.0655449 0.3595670 -2.9088075 20 O -2.6155921 0.3036138 -0.1556981 0.2828047 -2.6344018 0.0196791 -0.1398165 -0.0286662 -2.7084548 21 O -1.6391407 0.2145976 -0.0374721 0.1344734 -2.3492721 -0.2954838 -0.0655449 -0.3595670 -2.9088075 22 O -2.2665201 0.1962563 0.2185558 0.2107254 -2.0907035 -0.3884651 0.2375075 -0.5433386 -2.6552948 23 O -2.2869518 -0.4659915 0.0408045 -0.5978007 -2.3951650 0.1614774 -0.0010824 0.1668322 -1.6878062 24 O -2.6155921 -0.3036138 -0.1556981 -0.2828047 -2.6344018 -0.0196791 -0.1398165 0.0286662 -2.7084548 25 O -1.6391407 0.2145976 -0.0374721 0.1344734 -2.3492721 -0.2954838 -0.0655449 -0.3595670 -2.9088075 26 O -2.2869518 -0.4659915 0.0408045 -0.5978007 -2.3951650 0.1614774 -0.0010824 0.1668322 -1.6878062 27 O -1.6391407 -0.2145976 -0.0374721 -0.1344734 -2.3492721 0.2954838 -0.0655449 0.3595670 -2.9088075 28 O -2.6155921 -0.3036138 -0.1556981 -0.2828047 -2.6344018 -0.0196791 -0.1398165 0.0286662 -2.7084548 29 O -2.2665201 0.1962563 0.2185558 0.2107254 -2.0907035 -0.3884651 0.2375075 -0.5433386 -2.6552948 30 O -2.2665201 -0.1962563 0.2185558 -0.2107254 -2.0907035 0.3884651 0.2375075 0.5433386 -2.6552948 31 O -2.6419766 -0.3508990 -0.2044979 -0.4549649 -2.0793904 -0.1466348 -0.1463679 -0.0587523 -2.1589493 32 O -2.2665201 -0.1962563 0.2185558 -0.2107254 -2.0907035 0.3884651 0.2375075 0.5433386 -2.6552948 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 237 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 237 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 260), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 260), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.314 Solver_block: 200 / 960 - Time: 1.157 Solver_block: 300 / 960 - Time: 1.205 Solver_block: 400 / 960 - Time: 1.221 Solver_block: 500 / 960 - Time: 1.225 Solver_block: 600 / 960 - Time: 1.234 Solver_block: 700 / 960 - Time: 1.152 Solver_block: 800 / 960 - Time: 1.233 Solver_block: 900 / 960 - Time: 1.215 Solver_block: 960 / 960 - Time: 0.801 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.088 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 237 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 237 eigenvectors found. (2) Block: 524 / 524 (2) 260 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 509 eigenvectors found. (1) Complementary block size: 31 (1) Compute compressed projector. (1) Use standard solver. (1) 15 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 260), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 15), data: (1024, 31) @ (31, 15) |-- (524, 509), data: False |-- (524, 12), data: (524, 27) @ (27, 12) |-- (274, 260), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 20:58:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:58:33]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.563237170151615 0.000000000000000 0.000000000000000 b 0.000000000000000 7.426637410000001 0.000000000000000 c -2.110850152970969 0.000000000000000 6.732969604039432 Atomic positions (fractional): 1 La 0.38239670346552 0.64511508648344 0.08381572503385 138.905 2 La 0.38239670346552 0.85488491351656 0.58381572503385 138.905 3 La 0.97716511178963 0.37512479203480 0.76478976128674 138.905 4 La 0.61760329653448 0.35488491351656 0.91618427496615 138.905 5 La 0.97716511178963 0.12487520796520 0.26478976128674 138.905 6 La 0.02283488821037 0.62487520796520 0.23521023871326 138.905 7 La 0.61760329653448 0.14511508648344 0.41618427496615 138.905 8 La 0.02283488821037 0.87512479203480 0.73521023871326 138.905 9 Ge 0.29781534732647 0.41087546034726 0.54088038814996 72.640 10 Ge 0.29781534732647 0.08912453965274 0.04088038814996 72.640 11 Ge 0.70218465267353 0.91087546034726 0.95911961185004 72.640 12 Ge 0.70218465267353 0.58912453965274 0.45911961185004 72.640 13 O 0.59056467056440 0.77426740102596 0.44507076556862 15.999 14 O 0.10841052479363 0.13796664192552 0.98927869549768 15.999 15 O 0.89158947520637 0.86203335807448 0.01072130450232 15.999 16 O 0.88613736410334 0.12028843231187 0.55066398111081 15.999 17 O 0.40943532943560 0.22573259897404 0.55492923443138 15.999 18 O 0.10841052479363 0.36203335807448 0.48927869549768 15.999 19 O 0.63021100588861 0.04584441664322 0.74816502432614 15.999 20 O 0.11386263589666 0.87971156768813 0.44933601888919 15.999 21 O 0.36978899411139 0.54584441664322 0.75183497567386 15.999 22 O 0.29118193768189 0.92170351859031 0.85579132529336 15.999 23 O 0.40943532943560 0.27426740102595 0.05492923443138 15.999 24 O 0.88613736410334 0.37971156768813 0.05066398111081 15.999 25 O 0.63021100588861 0.45415558335678 0.24816502432614 15.999 26 O 0.59056467056440 0.72573259897404 0.94507076556862 15.999 27 O 0.36978899411139 0.95415558335678 0.25183497567386 15.999 28 O 0.11386263589666 0.62028843231187 0.94933601888919 15.999 29 O 0.70881806231811 0.07829648140969 0.14420867470664 15.999 30 O 0.70881806231811 0.42170351859031 0.64420867470664 15.999 31 O 0.89158947520637 0.63796664192552 0.51072130450232 15.999 32 O 0.29118193768189 0.57829648140969 0.35579132529336 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.563237170151615 0.000000000000000 0.000000000000000 b 0.000000000000000 14.853274820000003 0.000000000000000 c -4.221700305941938 0.000000000000000 13.465939208078863 Atomic positions (fractional): 1 La 0.38239670346552 0.32255754324172 0.04190786251692 138.905 > 1 2 La 0.38239670346552 0.82255754324172 0.04190786251692 138.905 > 1 3 La 0.38239670346552 0.32255754324172 0.54190786251693 138.905 > 1 4 La 0.38239670346552 0.82255754324172 0.54190786251693 138.905 > 1 5 La 0.38239670346552 0.42744245675828 0.29190786251693 138.905 > 5 6 La 0.38239670346552 0.92744245675828 0.29190786251693 138.905 > 5 7 La 0.38239670346552 0.42744245675828 0.79190786251693 138.905 > 5 8 La 0.38239670346552 0.92744245675828 0.79190786251693 138.905 > 5 9 La 0.97716511178963 0.18756239601740 0.38239488064337 138.905 > 9 10 La 0.97716511178963 0.68756239601740 0.38239488064337 138.905 > 9 11 La 0.97716511178963 0.18756239601740 0.88239488064337 138.905 > 9 12 La 0.97716511178963 0.68756239601740 0.88239488064337 138.905 > 9 13 La 0.61760329653448 0.17744245675828 0.45809213748307 138.905 > 13 14 La 0.61760329653448 0.67744245675828 0.45809213748307 138.905 > 13 15 La 0.61760329653448 0.17744245675828 0.95809213748307 138.905 > 13 16 La 0.61760329653448 0.67744245675828 0.95809213748307 138.905 > 13 17 La 0.97716511178963 0.06243760398260 0.13239488064337 138.905 > 17 18 La 0.97716511178963 0.56243760398260 0.13239488064337 138.905 > 17 19 La 0.97716511178963 0.06243760398260 0.63239488064337 138.905 > 17 20 La 0.97716511178963 0.56243760398260 0.63239488064337 138.905 > 17 21 La 0.02283488821037 0.31243760398260 0.11760511935663 138.905 > 21 22 La 0.02283488821037 0.81243760398260 0.11760511935663 138.905 > 21 23 La 0.02283488821037 0.31243760398260 0.61760511935663 138.905 > 21 24 La 0.02283488821037 0.81243760398260 0.61760511935663 138.905 > 21 25 La 0.61760329653448 0.07255754324172 0.20809213748308 138.905 > 25 26 La 0.61760329653448 0.57255754324172 0.20809213748308 138.905 > 25 27 La 0.61760329653448 0.07255754324172 0.70809213748307 138.905 > 25 28 La 0.61760329653448 0.57255754324172 0.70809213748307 138.905 > 25 29 La 0.02283488821037 0.43756239601740 0.36760511935663 138.905 > 29 30 La 0.02283488821037 0.93756239601740 0.36760511935663 138.905 > 29 31 La 0.02283488821037 0.43756239601740 0.86760511935663 138.905 > 29 32 La 0.02283488821037 0.93756239601740 0.86760511935663 138.905 > 29 33 Ge 0.29781534732647 0.20543773017363 0.27044019407498 72.640 > 33 34 Ge 0.29781534732647 0.70543773017363 0.27044019407498 72.640 > 33 35 Ge 0.29781534732647 0.20543773017363 0.77044019407498 72.640 > 33 36 Ge 0.29781534732647 0.70543773017363 0.77044019407498 72.640 > 33 37 Ge 0.29781534732647 0.04456226982637 0.02044019407498 72.640 > 37 38 Ge 0.29781534732647 0.54456226982637 0.02044019407498 72.640 > 37 39 Ge 0.29781534732647 0.04456226982637 0.52044019407498 72.640 > 37 40 Ge 0.29781534732647 0.54456226982637 0.52044019407498 72.640 > 37 41 Ge 0.70218465267353 0.45543773017363 0.47955980592502 72.640 > 41 42 Ge 0.70218465267353 0.95543773017363 0.47955980592502 72.640 > 41 43 Ge 0.70218465267353 0.45543773017363 0.97955980592502 72.640 > 41 44 Ge 0.70218465267353 0.95543773017363 0.97955980592502 72.640 > 41 45 Ge 0.70218465267353 0.29456226982637 0.22955980592502 72.640 > 45 46 Ge 0.70218465267353 0.79456226982637 0.22955980592502 72.640 > 45 47 Ge 0.70218465267353 0.29456226982637 0.72955980592502 72.640 > 45 48 Ge 0.70218465267353 0.79456226982637 0.72955980592502 72.640 > 45 49 O 0.59056467056440 0.38713370051298 0.22253538278431 15.999 > 49 50 O 0.59056467056440 0.88713370051298 0.22253538278431 15.999 > 49 51 O 0.59056467056440 0.38713370051298 0.72253538278431 15.999 > 49 52 O 0.59056467056440 0.88713370051298 0.72253538278431 15.999 > 49 53 O 0.10841052479363 0.06898332096276 0.49463934774884 15.999 > 53 54 O 0.10841052479363 0.56898332096276 0.49463934774884 15.999 > 53 55 O 0.10841052479363 0.06898332096276 0.99463934774884 15.999 > 53 56 O 0.10841052479363 0.56898332096276 0.99463934774884 15.999 > 53 57 O 0.89158947520637 0.43101667903724 0.00536065225116 15.999 > 57 58 O 0.89158947520637 0.93101667903724 0.00536065225116 15.999 > 57 59 O 0.89158947520637 0.43101667903724 0.50536065225116 15.999 > 57 60 O 0.89158947520637 0.93101667903724 0.50536065225116 15.999 > 57 61 O 0.88613736410334 0.06014421615593 0.27533199055540 15.999 > 61 62 O 0.88613736410334 0.56014421615593 0.27533199055540 15.999 > 61 63 O 0.88613736410334 0.06014421615593 0.77533199055540 15.999 > 61 64 O 0.88613736410334 0.56014421615593 0.77533199055540 15.999 > 61 65 O 0.40943532943560 0.11286629948702 0.27746461721569 15.999 > 65 66 O 0.40943532943560 0.61286629948702 0.27746461721569 15.999 > 65 67 O 0.40943532943560 0.11286629948702 0.77746461721569 15.999 > 65 68 O 0.40943532943560 0.61286629948702 0.77746461721569 15.999 > 65 69 O 0.10841052479363 0.18101667903724 0.24463934774884 15.999 > 69 70 O 0.10841052479363 0.68101667903724 0.24463934774884 15.999 > 69 71 O 0.10841052479363 0.18101667903724 0.74463934774884 15.999 > 69 72 O 0.10841052479363 0.68101667903724 0.74463934774884 15.999 > 69 73 O 0.63021100588861 0.02292220832161 0.37408251216307 15.999 > 73 74 O 0.63021100588861 0.52292220832161 0.37408251216307 15.999 > 73 75 O 0.63021100588861 0.02292220832161 0.87408251216307 15.999 > 73 76 O 0.63021100588861 0.52292220832161 0.87408251216307 15.999 > 73 77 O 0.11386263589666 0.43985578384407 0.22466800944460 15.999 > 77 78 O 0.11386263589666 0.93985578384407 0.22466800944460 15.999 > 77 79 O 0.11386263589666 0.43985578384407 0.72466800944460 15.999 > 77 80 O 0.11386263589666 0.93985578384407 0.72466800944460 15.999 > 77 81 O 0.36978899411139 0.27292220832161 0.37591748783693 15.999 > 81 82 O 0.36978899411139 0.77292220832161 0.37591748783693 15.999 > 81 83 O 0.36978899411139 0.27292220832161 0.87591748783693 15.999 > 81 84 O 0.36978899411139 0.77292220832161 0.87591748783693 15.999 > 81 85 O 0.29118193768189 0.46085175929516 0.42789566264668 15.999 > 85 86 O 0.29118193768189 0.96085175929516 0.42789566264668 15.999 > 85 87 O 0.29118193768189 0.46085175929516 0.92789566264668 15.999 > 85 88 O 0.29118193768189 0.96085175929516 0.92789566264668 15.999 > 85 89 O 0.40943532943560 0.13713370051298 0.02746461721569 15.999 > 89 90 O 0.40943532943560 0.63713370051298 0.02746461721569 15.999 > 89 91 O 0.40943532943560 0.13713370051298 0.52746461721569 15.999 > 89 92 O 0.40943532943560 0.63713370051298 0.52746461721569 15.999 > 89 93 O 0.88613736410334 0.18985578384407 0.02533199055540 15.999 > 93 94 O 0.88613736410334 0.68985578384407 0.02533199055540 15.999 > 93 95 O 0.88613736410334 0.18985578384407 0.52533199055540 15.999 > 93 96 O 0.88613736410334 0.68985578384407 0.52533199055540 15.999 > 93 97 O 0.63021100588861 0.22707779167839 0.12408251216307 15.999 > 97 98 O 0.63021100588861 0.72707779167839 0.12408251216307 15.999 > 97 99 O 0.63021100588861 0.22707779167839 0.62408251216307 15.999 > 97 100 O 0.63021100588861 0.72707779167839 0.62408251216307 15.999 > 97 101 O 0.59056467056440 0.36286629948702 0.47253538278431 15.999 > 101 102 O 0.59056467056440 0.86286629948702 0.47253538278431 15.999 > 101 103 O 0.59056467056440 0.36286629948702 0.97253538278431 15.999 > 101 104 O 0.59056467056440 0.86286629948702 0.97253538278431 15.999 > 101 105 O 0.36978899411139 0.47707779167839 0.12591748783693 15.999 > 105 106 O 0.36978899411139 0.97707779167839 0.12591748783693 15.999 > 105 107 O 0.36978899411139 0.47707779167839 0.62591748783693 15.999 > 105 108 O 0.36978899411139 0.97707779167839 0.62591748783693 15.999 > 105 109 O 0.11386263589666 0.31014421615593 0.47466800944460 15.999 > 109 110 O 0.11386263589666 0.81014421615593 0.47466800944460 15.999 > 109 111 O 0.11386263589666 0.31014421615593 0.97466800944460 15.999 > 109 112 O 0.11386263589666 0.81014421615593 0.97466800944460 15.999 > 109 113 O 0.70881806231811 0.03914824070484 0.07210433735332 15.999 > 113 114 O 0.70881806231811 0.53914824070484 0.07210433735332 15.999 > 113 115 O 0.70881806231811 0.03914824070484 0.57210433735332 15.999 > 113 116 O 0.70881806231811 0.53914824070484 0.57210433735332 15.999 > 113 117 O 0.70881806231811 0.21085175929516 0.32210433735332 15.999 > 117 118 O 0.70881806231811 0.71085175929516 0.32210433735332 15.999 > 117 119 O 0.70881806231811 0.21085175929516 0.82210433735332 15.999 > 117 120 O 0.70881806231811 0.71085175929516 0.82210433735332 15.999 > 117 121 O 0.89158947520637 0.31898332096276 0.25536065225116 15.999 > 121 122 O 0.89158947520637 0.81898332096276 0.25536065225116 15.999 > 121 123 O 0.89158947520637 0.31898332096276 0.75536065225116 15.999 > 121 124 O 0.89158947520637 0.81898332096276 0.75536065225116 15.999 > 121 125 O 0.29118193768189 0.28914824070484 0.17789566264668 15.999 > 125 126 O 0.29118193768189 0.78914824070484 0.17789566264668 15.999 > 125 127 O 0.29118193768189 0.28914824070484 0.67789566264668 15.999 > 125 128 O 0.29118193768189 0.78914824070484 0.67789566264668 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.0462785 0.0000000 0.0698722 0.0000000 4.0704996 0.0000000 0.0692991 0.0000000 4.1215031 -------------------------- Born effective charges -------------------------- 1 La 4.6220655 -0.1085892 -0.2887437 -0.0407006 3.9219605 -0.0116972 -0.2974962 0.0465158 4.6596228 2 La 4.6220655 0.1085892 -0.2887437 0.0407006 3.9219605 0.0116972 -0.2974962 -0.0465158 4.6596228 3 La 3.6599799 -0.0920331 0.0221551 0.1904953 4.2912177 0.3246623 -0.0123033 0.4246629 4.5330067 4 La 4.6220655 -0.1085892 -0.2887437 -0.0407006 3.9219605 -0.0116972 -0.2974962 0.0465158 4.6596228 5 La 3.6599799 0.0920331 0.0221551 -0.1904953 4.2912177 -0.3246623 -0.0123033 -0.4246629 4.5330067 6 La 3.6599799 -0.0920331 0.0221551 0.1904953 4.2912177 0.3246623 -0.0123033 0.4246629 4.5330067 7 La 4.6220655 0.1085892 -0.2887437 0.0407006 3.9219605 0.0116972 -0.2974962 -0.0465158 4.6596228 8 La 3.6599799 0.0920331 0.0221551 -0.1904953 4.2912177 -0.3246623 -0.0123033 -0.4246629 4.5330067 9 Ge 3.1681357 -0.2450207 0.4048965 -0.0672482 3.3357546 -0.0635199 0.4251037 -0.1426283 2.9266831 10 Ge 3.1681357 0.2450207 0.4048965 0.0672482 3.3357546 0.0635199 0.4251037 0.1426283 2.9266831 11 Ge 3.1681357 0.2450207 0.4048965 0.0672482 3.3357546 0.0635199 0.4251037 0.1426283 2.9266831 12 Ge 3.1681357 -0.2450207 0.4048965 -0.0672482 3.3357546 -0.0635199 0.4251037 -0.1426283 2.9266831 13 O -2.2869518 0.4659915 0.0408045 0.5978007 -2.3951650 -0.1614774 -0.0010824 -0.1668322 -1.6878062 14 O -2.6419766 0.3508990 -0.2044979 0.4549649 -2.0793904 0.1466348 -0.1463679 0.0587523 -2.1589493 15 O -2.6419766 0.3508990 -0.2044979 0.4549649 -2.0793904 0.1466348 -0.1463679 0.0587523 -2.1589493 16 O -2.6155921 0.3036138 -0.1556981 0.2828047 -2.6344018 0.0196791 -0.1398165 -0.0286662 -2.7084548 17 O -2.2869518 0.4659915 0.0408045 0.5978007 -2.3951650 -0.1614774 -0.0010824 -0.1668322 -1.6878062 18 O -2.6419766 -0.3508990 -0.2044979 -0.4549649 -2.0793904 -0.1466348 -0.1463679 -0.0587523 -2.1589493 19 O -1.6391407 -0.2145976 -0.0374721 -0.1344734 -2.3492721 0.2954838 -0.0655449 0.3595670 -2.9088075 20 O -2.6155921 0.3036138 -0.1556981 0.2828047 -2.6344018 0.0196791 -0.1398165 -0.0286662 -2.7084548 21 O -1.6391407 0.2145976 -0.0374721 0.1344734 -2.3492721 -0.2954838 -0.0655449 -0.3595670 -2.9088075 22 O -2.2665201 0.1962563 0.2185558 0.2107254 -2.0907035 -0.3884651 0.2375075 -0.5433386 -2.6552948 23 O -2.2869518 -0.4659915 0.0408045 -0.5978007 -2.3951650 0.1614774 -0.0010824 0.1668322 -1.6878062 24 O -2.6155921 -0.3036138 -0.1556981 -0.2828047 -2.6344018 -0.0196791 -0.1398165 0.0286662 -2.7084548 25 O -1.6391407 0.2145976 -0.0374721 0.1344734 -2.3492721 -0.2954838 -0.0655449 -0.3595670 -2.9088075 26 O -2.2869518 -0.4659915 0.0408045 -0.5978007 -2.3951650 0.1614774 -0.0010824 0.1668322 -1.6878062 27 O -1.6391407 -0.2145976 -0.0374721 -0.1344734 -2.3492721 0.2954838 -0.0655449 0.3595670 -2.9088075 28 O -2.6155921 -0.3036138 -0.1556981 -0.2828047 -2.6344018 -0.0196791 -0.1398165 0.0286662 -2.7084548 29 O -2.2665201 0.1962563 0.2185558 0.2107254 -2.0907035 -0.3884651 0.2375075 -0.5433386 -2.6552948 30 O -2.2665201 -0.1962563 0.2185558 -0.2107254 -2.0907035 0.3884651 0.2375075 0.5433386 -2.6552948 31 O -2.6419766 -0.3508990 -0.2044979 -0.4549649 -2.0793904 -0.1466348 -0.1463679 -0.0587523 -2.1589493 32 O -2.2665201 -0.1962563 0.2185558 -0.2107254 -2.0907035 0.3884651 0.2375075 0.5433386 -2.6552948 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 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] [-0.0030 0.0000 0.0095] [ 0.0030 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] [-0.0030 0.0000 0.0095] [ 0.0030 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 61, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 73, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 85, 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] [-0.0030 0.0000 0.0095] [ 0.0030 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 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yz) -0.00000001 (yz) 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 20:59:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 20:59:19]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.563237170151615 0.000000000000000 0.000000000000000 b 0.000000000000000 7.426637410000001 0.000000000000000 c -2.110850152970969 0.000000000000000 6.732969604039432 Atomic positions (fractional): 1 La 0.38239670346552 0.64511508648344 0.08381572503385 138.905 2 La 0.38239670346552 0.85488491351656 0.58381572503385 138.905 3 La 0.97716511178963 0.37512479203480 0.76478976128674 138.905 4 La 0.61760329653448 0.35488491351656 0.91618427496615 138.905 5 La 0.97716511178963 0.12487520796520 0.26478976128674 138.905 6 La 0.02283488821037 0.62487520796520 0.23521023871326 138.905 7 La 0.61760329653448 0.14511508648344 0.41618427496615 138.905 8 La 0.02283488821037 0.87512479203480 0.73521023871326 138.905 9 Ge 0.29781534732647 0.41087546034726 0.54088038814996 72.640 10 Ge 0.29781534732647 0.08912453965274 0.04088038814996 72.640 11 Ge 0.70218465267353 0.91087546034726 0.95911961185004 72.640 12 Ge 0.70218465267353 0.58912453965274 0.45911961185004 72.640 13 O 0.59056467056440 0.77426740102596 0.44507076556862 15.999 14 O 0.10841052479363 0.13796664192552 0.98927869549768 15.999 15 O 0.89158947520637 0.86203335807448 0.01072130450232 15.999 16 O 0.88613736410334 0.12028843231187 0.55066398111081 15.999 17 O 0.40943532943560 0.22573259897404 0.55492923443138 15.999 18 O 0.10841052479363 0.36203335807448 0.48927869549768 15.999 19 O 0.63021100588861 0.04584441664322 0.74816502432614 15.999 20 O 0.11386263589666 0.87971156768813 0.44933601888919 15.999 21 O 0.36978899411139 0.54584441664322 0.75183497567386 15.999 22 O 0.29118193768189 0.92170351859031 0.85579132529336 15.999 23 O 0.40943532943560 0.27426740102595 0.05492923443138 15.999 24 O 0.88613736410334 0.37971156768813 0.05066398111081 15.999 25 O 0.63021100588861 0.45415558335678 0.24816502432614 15.999 26 O 0.59056467056440 0.72573259897404 0.94507076556862 15.999 27 O 0.36978899411139 0.95415558335678 0.25183497567386 15.999 28 O 0.11386263589666 0.62028843231187 0.94933601888919 15.999 29 O 0.70881806231811 0.07829648140969 0.14420867470664 15.999 30 O 0.70881806231811 0.42170351859031 0.64420867470664 15.999 31 O 0.89158947520637 0.63796664192552 0.51072130450232 15.999 32 O 0.29118193768189 0.57829648140969 0.35579132529336 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.563237170151615 0.000000000000000 0.000000000000000 b 0.000000000000000 14.853274820000003 0.000000000000000 c -4.221700305941938 0.000000000000000 13.465939208078863 Atomic positions (fractional): 1 La 0.38239670346552 0.32255754324172 0.04190786251692 138.905 > 1 2 La 0.38239670346552 0.82255754324172 0.04190786251692 138.905 > 1 3 La 0.38239670346552 0.32255754324172 0.54190786251693 138.905 > 1 4 La 0.38239670346552 0.82255754324172 0.54190786251693 138.905 > 1 5 La 0.38239670346552 0.42744245675828 0.29190786251693 138.905 > 5 6 La 0.38239670346552 0.92744245675828 0.29190786251693 138.905 > 5 7 La 0.38239670346552 0.42744245675828 0.79190786251693 138.905 > 5 8 La 0.38239670346552 0.92744245675828 0.79190786251693 138.905 > 5 9 La 0.97716511178963 0.18756239601740 0.38239488064337 138.905 > 9 10 La 0.97716511178963 0.68756239601740 0.38239488064337 138.905 > 9 11 La 0.97716511178963 0.18756239601740 0.88239488064337 138.905 > 9 12 La 0.97716511178963 0.68756239601740 0.88239488064337 138.905 > 9 13 La 0.61760329653448 0.17744245675828 0.45809213748307 138.905 > 13 14 La 0.61760329653448 0.67744245675828 0.45809213748307 138.905 > 13 15 La 0.61760329653448 0.17744245675828 0.95809213748307 138.905 > 13 16 La 0.61760329653448 0.67744245675828 0.95809213748307 138.905 > 13 17 La 0.97716511178963 0.06243760398260 0.13239488064337 138.905 > 17 18 La 0.97716511178963 0.56243760398260 0.13239488064337 138.905 > 17 19 La 0.97716511178963 0.06243760398260 0.63239488064337 138.905 > 17 20 La 0.97716511178963 0.56243760398260 0.63239488064337 138.905 > 17 21 La 0.02283488821037 0.31243760398260 0.11760511935663 138.905 > 21 22 La 0.02283488821037 0.81243760398260 0.11760511935663 138.905 > 21 23 La 0.02283488821037 0.31243760398260 0.61760511935663 138.905 > 21 24 La 0.02283488821037 0.81243760398260 0.61760511935663 138.905 > 21 25 La 0.61760329653448 0.07255754324172 0.20809213748308 138.905 > 25 26 La 0.61760329653448 0.57255754324172 0.20809213748308 138.905 > 25 27 La 0.61760329653448 0.07255754324172 0.70809213748307 138.905 > 25 28 La 0.61760329653448 0.57255754324172 0.70809213748307 138.905 > 25 29 La 0.02283488821037 0.43756239601740 0.36760511935663 138.905 > 29 30 La 0.02283488821037 0.93756239601740 0.36760511935663 138.905 > 29 31 La 0.02283488821037 0.43756239601740 0.86760511935663 138.905 > 29 32 La 0.02283488821037 0.93756239601740 0.86760511935663 138.905 > 29 33 Ge 0.29781534732647 0.20543773017363 0.27044019407498 72.640 > 33 34 Ge 0.29781534732647 0.70543773017363 0.27044019407498 72.640 > 33 35 Ge 0.29781534732647 0.20543773017363 0.77044019407498 72.640 > 33 36 Ge 0.29781534732647 0.70543773017363 0.77044019407498 72.640 > 33 37 Ge 0.29781534732647 0.04456226982637 0.02044019407498 72.640 > 37 38 Ge 0.29781534732647 0.54456226982637 0.02044019407498 72.640 > 37 39 Ge 0.29781534732647 0.04456226982637 0.52044019407498 72.640 > 37 40 Ge 0.29781534732647 0.54456226982637 0.52044019407498 72.640 > 37 41 Ge 0.70218465267353 0.45543773017363 0.47955980592502 72.640 > 41 42 Ge 0.70218465267353 0.95543773017363 0.47955980592502 72.640 > 41 43 Ge 0.70218465267353 0.45543773017363 0.97955980592502 72.640 > 41 44 Ge 0.70218465267353 0.95543773017363 0.97955980592502 72.640 > 41 45 Ge 0.70218465267353 0.29456226982637 0.22955980592502 72.640 > 45 46 Ge 0.70218465267353 0.79456226982637 0.22955980592502 72.640 > 45 47 Ge 0.70218465267353 0.29456226982637 0.72955980592502 72.640 > 45 48 Ge 0.70218465267353 0.79456226982637 0.72955980592502 72.640 > 45 49 O 0.59056467056440 0.38713370051298 0.22253538278431 15.999 > 49 50 O 0.59056467056440 0.88713370051298 0.22253538278431 15.999 > 49 51 O 0.59056467056440 0.38713370051298 0.72253538278431 15.999 > 49 52 O 0.59056467056440 0.88713370051298 0.72253538278431 15.999 > 49 53 O 0.10841052479363 0.06898332096276 0.49463934774884 15.999 > 53 54 O 0.10841052479363 0.56898332096276 0.49463934774884 15.999 > 53 55 O 0.10841052479363 0.06898332096276 0.99463934774884 15.999 > 53 56 O 0.10841052479363 0.56898332096276 0.99463934774884 15.999 > 53 57 O 0.89158947520637 0.43101667903724 0.00536065225116 15.999 > 57 58 O 0.89158947520637 0.93101667903724 0.00536065225116 15.999 > 57 59 O 0.89158947520637 0.43101667903724 0.50536065225116 15.999 > 57 60 O 0.89158947520637 0.93101667903724 0.50536065225116 15.999 > 57 61 O 0.88613736410334 0.06014421615593 0.27533199055540 15.999 > 61 62 O 0.88613736410334 0.56014421615593 0.27533199055540 15.999 > 61 63 O 0.88613736410334 0.06014421615593 0.77533199055540 15.999 > 61 64 O 0.88613736410334 0.56014421615593 0.77533199055540 15.999 > 61 65 O 0.40943532943560 0.11286629948702 0.27746461721569 15.999 > 65 66 O 0.40943532943560 0.61286629948702 0.27746461721569 15.999 > 65 67 O 0.40943532943560 0.11286629948702 0.77746461721569 15.999 > 65 68 O 0.40943532943560 0.61286629948702 0.77746461721569 15.999 > 65 69 O 0.10841052479363 0.18101667903724 0.24463934774884 15.999 > 69 70 O 0.10841052479363 0.68101667903724 0.24463934774884 15.999 > 69 71 O 0.10841052479363 0.18101667903724 0.74463934774884 15.999 > 69 72 O 0.10841052479363 0.68101667903724 0.74463934774884 15.999 > 69 73 O 0.63021100588861 0.02292220832161 0.37408251216307 15.999 > 73 74 O 0.63021100588861 0.52292220832161 0.37408251216307 15.999 > 73 75 O 0.63021100588861 0.02292220832161 0.87408251216307 15.999 > 73 76 O 0.63021100588861 0.52292220832161 0.87408251216307 15.999 > 73 77 O 0.11386263589666 0.43985578384407 0.22466800944460 15.999 > 77 78 O 0.11386263589666 0.93985578384407 0.22466800944460 15.999 > 77 79 O 0.11386263589666 0.43985578384407 0.72466800944460 15.999 > 77 80 O 0.11386263589666 0.93985578384407 0.72466800944460 15.999 > 77 81 O 0.36978899411139 0.27292220832161 0.37591748783693 15.999 > 81 82 O 0.36978899411139 0.77292220832161 0.37591748783693 15.999 > 81 83 O 0.36978899411139 0.27292220832161 0.87591748783693 15.999 > 81 84 O 0.36978899411139 0.77292220832161 0.87591748783693 15.999 > 81 85 O 0.29118193768189 0.46085175929516 0.42789566264668 15.999 > 85 86 O 0.29118193768189 0.96085175929516 0.42789566264668 15.999 > 85 87 O 0.29118193768189 0.46085175929516 0.92789566264668 15.999 > 85 88 O 0.29118193768189 0.96085175929516 0.92789566264668 15.999 > 85 89 O 0.40943532943560 0.13713370051298 0.02746461721569 15.999 > 89 90 O 0.40943532943560 0.63713370051298 0.02746461721569 15.999 > 89 91 O 0.40943532943560 0.13713370051298 0.52746461721569 15.999 > 89 92 O 0.40943532943560 0.63713370051298 0.52746461721569 15.999 > 89 93 O 0.88613736410334 0.18985578384407 0.02533199055540 15.999 > 93 94 O 0.88613736410334 0.68985578384407 0.02533199055540 15.999 > 93 95 O 0.88613736410334 0.18985578384407 0.52533199055540 15.999 > 93 96 O 0.88613736410334 0.68985578384407 0.52533199055540 15.999 > 93 97 O 0.63021100588861 0.22707779167839 0.12408251216307 15.999 > 97 98 O 0.63021100588861 0.72707779167839 0.12408251216307 15.999 > 97 99 O 0.63021100588861 0.22707779167839 0.62408251216307 15.999 > 97 100 O 0.63021100588861 0.72707779167839 0.62408251216307 15.999 > 97 101 O 0.59056467056440 0.36286629948702 0.47253538278431 15.999 > 101 102 O 0.59056467056440 0.86286629948702 0.47253538278431 15.999 > 101 103 O 0.59056467056440 0.36286629948702 0.97253538278431 15.999 > 101 104 O 0.59056467056440 0.86286629948702 0.97253538278431 15.999 > 101 105 O 0.36978899411139 0.47707779167839 0.12591748783693 15.999 > 105 106 O 0.36978899411139 0.97707779167839 0.12591748783693 15.999 > 105 107 O 0.36978899411139 0.47707779167839 0.62591748783693 15.999 > 105 108 O 0.36978899411139 0.97707779167839 0.62591748783693 15.999 > 105 109 O 0.11386263589666 0.31014421615593 0.47466800944460 15.999 > 109 110 O 0.11386263589666 0.81014421615593 0.47466800944460 15.999 > 109 111 O 0.11386263589666 0.31014421615593 0.97466800944460 15.999 > 109 112 O 0.11386263589666 0.81014421615593 0.97466800944460 15.999 > 109 113 O 0.70881806231811 0.03914824070484 0.07210433735332 15.999 > 113 114 O 0.70881806231811 0.53914824070484 0.07210433735332 15.999 > 113 115 O 0.70881806231811 0.03914824070484 0.57210433735332 15.999 > 113 116 O 0.70881806231811 0.53914824070484 0.57210433735332 15.999 > 113 117 O 0.70881806231811 0.21085175929516 0.32210433735332 15.999 > 117 118 O 0.70881806231811 0.71085175929516 0.32210433735332 15.999 > 117 119 O 0.70881806231811 0.21085175929516 0.82210433735332 15.999 > 117 120 O 0.70881806231811 0.71085175929516 0.82210433735332 15.999 > 117 121 O 0.89158947520637 0.31898332096276 0.25536065225116 15.999 > 121 122 O 0.89158947520637 0.81898332096276 0.25536065225116 15.999 > 121 123 O 0.89158947520637 0.31898332096276 0.75536065225116 15.999 > 121 124 O 0.89158947520637 0.81898332096276 0.75536065225116 15.999 > 121 125 O 0.29118193768189 0.28914824070484 0.17789566264668 15.999 > 125 126 O 0.29118193768189 0.78914824070484 0.17789566264668 15.999 > 125 127 O 0.29118193768189 0.28914824070484 0.67789566264668 15.999 > 125 128 O 0.29118193768189 0.78914824070484 0.67789566264668 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.0462785 0.0000000 0.0698722 0.0000000 4.0704996 0.0000000 0.0692991 0.0000000 4.1215031 -------------------------- Born effective charges -------------------------- 1 La 4.6220655 -0.1085892 -0.2887437 -0.0407006 3.9219605 -0.0116972 -0.2974962 0.0465158 4.6596228 2 La 4.6220655 0.1085892 -0.2887437 0.0407006 3.9219605 0.0116972 -0.2974962 -0.0465158 4.6596228 3 La 3.6599799 -0.0920331 0.0221551 0.1904953 4.2912177 0.3246623 -0.0123033 0.4246629 4.5330067 4 La 4.6220655 -0.1085892 -0.2887437 -0.0407006 3.9219605 -0.0116972 -0.2974962 0.0465158 4.6596228 5 La 3.6599799 0.0920331 0.0221551 -0.1904953 4.2912177 -0.3246623 -0.0123033 -0.4246629 4.5330067 6 La 3.6599799 -0.0920331 0.0221551 0.1904953 4.2912177 0.3246623 -0.0123033 0.4246629 4.5330067 7 La 4.6220655 0.1085892 -0.2887437 0.0407006 3.9219605 0.0116972 -0.2974962 -0.0465158 4.6596228 8 La 3.6599799 0.0920331 0.0221551 -0.1904953 4.2912177 -0.3246623 -0.0123033 -0.4246629 4.5330067 9 Ge 3.1681357 -0.2450207 0.4048965 -0.0672482 3.3357546 -0.0635199 0.4251037 -0.1426283 2.9266831 10 Ge 3.1681357 0.2450207 0.4048965 0.0672482 3.3357546 0.0635199 0.4251037 0.1426283 2.9266831 11 Ge 3.1681357 0.2450207 0.4048965 0.0672482 3.3357546 0.0635199 0.4251037 0.1426283 2.9266831 12 Ge 3.1681357 -0.2450207 0.4048965 -0.0672482 3.3357546 -0.0635199 0.4251037 -0.1426283 2.9266831 13 O -2.2869518 0.4659915 0.0408045 0.5978007 -2.3951650 -0.1614774 -0.0010824 -0.1668322 -1.6878062 14 O -2.6419766 0.3508990 -0.2044979 0.4549649 -2.0793904 0.1466348 -0.1463679 0.0587523 -2.1589493 15 O -2.6419766 0.3508990 -0.2044979 0.4549649 -2.0793904 0.1466348 -0.1463679 0.0587523 -2.1589493 16 O -2.6155921 0.3036138 -0.1556981 0.2828047 -2.6344018 0.0196791 -0.1398165 -0.0286662 -2.7084548 17 O -2.2869518 0.4659915 0.0408045 0.5978007 -2.3951650 -0.1614774 -0.0010824 -0.1668322 -1.6878062 18 O -2.6419766 -0.3508990 -0.2044979 -0.4549649 -2.0793904 -0.1466348 -0.1463679 -0.0587523 -2.1589493 19 O -1.6391407 -0.2145976 -0.0374721 -0.1344734 -2.3492721 0.2954838 -0.0655449 0.3595670 -2.9088075 20 O -2.6155921 0.3036138 -0.1556981 0.2828047 -2.6344018 0.0196791 -0.1398165 -0.0286662 -2.7084548 21 O -1.6391407 0.2145976 -0.0374721 0.1344734 -2.3492721 -0.2954838 -0.0655449 -0.3595670 -2.9088075 22 O -2.2665201 0.1962563 0.2185558 0.2107254 -2.0907035 -0.3884651 0.2375075 -0.5433386 -2.6552948 23 O -2.2869518 -0.4659915 0.0408045 -0.5978007 -2.3951650 0.1614774 -0.0010824 0.1668322 -1.6878062 24 O -2.6155921 -0.3036138 -0.1556981 -0.2828047 -2.6344018 -0.0196791 -0.1398165 0.0286662 -2.7084548 25 O -1.6391407 0.2145976 -0.0374721 0.1344734 -2.3492721 -0.2954838 -0.0655449 -0.3595670 -2.9088075 26 O -2.2869518 -0.4659915 0.0408045 -0.5978007 -2.3951650 0.1614774 -0.0010824 0.1668322 -1.6878062 27 O -1.6391407 -0.2145976 -0.0374721 -0.1344734 -2.3492721 0.2954838 -0.0655449 0.3595670 -2.9088075 28 O -2.6155921 -0.3036138 -0.1556981 -0.2828047 -2.6344018 -0.0196791 -0.1398165 0.0286662 -2.7084548 29 O -2.2665201 0.1962563 0.2185558 0.2107254 -2.0907035 -0.3884651 0.2375075 -0.5433386 -2.6552948 30 O -2.2665201 -0.1962563 0.2185558 -0.2107254 -2.0907035 0.3884651 0.2375075 0.5433386 -2.6552948 31 O -2.6419766 -0.3508990 -0.2044979 -0.4549649 -2.0793904 -0.1466348 -0.1463679 -0.0587523 -2.1589493 32 O -2.2665201 -0.1962563 0.2185558 -0.2107254 -2.0907035 0.3884651 0.2375075 0.5433386 -2.6552948 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 ... [ 5 7 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.662 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 2.394 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.803 ( 0.000 0.000 0.000) 0.000 2.952 ( 0.000 0.000 0.000) 0.000 2.996 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.221 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.665 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.957 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.198 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.213 ( 0.000 0.000 0.000) 0.000 5.699 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 5.935 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.346 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.857 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 6.971 ( 0.000 0.000 0.000) 0.000 7.047 ( 0.000 0.000 0.000) 0.000 7.115 ( 0.000 0.000 0.000) 0.000 7.927 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.675 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.804 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 9.082 ( 0.000 0.000 0.000) 0.000 9.186 ( 0.000 0.000 0.000) 0.000 9.235 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.833 ( 0.000 0.000 0.000) 0.000 9.926 ( 0.000 0.000 0.000) 0.000 10.023 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.183 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 10.566 ( 0.000 0.000 0.000) 0.000 11.006 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.051 ( 0.000 0.000 0.000) 0.000 11.128 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.797 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 12.158 ( 0.000 0.000 0.000) 0.000 12.334 ( 0.000 0.000 0.000) 0.000 13.269 ( 0.000 0.000 0.000) 0.000 13.323 ( 0.000 0.000 0.000) 0.000 14.285 ( 0.000 0.000 0.000) 0.000 14.384 ( 0.000 0.000 0.000) 0.000 19.426 ( 0.000 0.000 0.000) 0.000 19.440 ( 0.000 0.000 0.000) 0.000 19.544 ( 0.000 0.000 0.000) 0.000 19.585 ( 0.000 0.000 0.000) 0.000 20.693 ( 0.000 0.000 0.000) 0.000 20.756 ( 0.000 0.000 0.000) 0.000 20.763 ( 0.000 0.000 0.000) 0.000 21.304 ( 0.000 0.000 0.000) 0.000 21.979 ( 0.000 0.000 0.000) 0.000 22.045 ( 0.000 0.000 0.000) 0.000 22.857 ( 0.000 0.000 0.000) 0.000 23.017 ( 0.000 0.000 0.000) 0.000 23.489 ( 0.000 0.000 0.000) 0.000 23.657 ( 0.000 0.000 0.000) 0.000 23.665 ( 0.000 0.000 0.000) 0.000 24.103 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 31.866 0.000 -8.564) 32.996 0.693 ( 28.416 0.000 12.478) 31.035 1.028 ( 38.711 0.000 24.389) 45.754 1.673 ( 0.598 0.000 4.015) 4.060 1.778 ( 1.481 0.000 2.040) 2.521 2.269 ( -10.668 0.000 -2.892) 11.053 2.381 ( -17.269 0.000 -0.984) 17.297 2.566 ( 2.161 0.000 3.132) 3.805 2.583 ( -8.689 0.000 4.452) 9.763 2.631 ( 1.259 0.000 0.215) 1.277 2.865 ( 4.965 0.000 13.212) 14.114 2.887 ( 2.271 0.000 2.097) 3.091 2.951 ( 0.917 0.000 0.722) 1.168 3.122 ( 4.279 0.000 -0.484) 4.307 3.202 ( 0.207 0.000 3.207) 3.214 3.274 ( 7.517 0.000 -1.875) 7.747 3.483 ( 4.178 0.000 -3.532) 5.471 3.566 ( -8.833 0.000 -5.573) 10.445 3.695 ( 5.844 0.000 -6.599) 8.815 3.961 ( -6.965 0.000 0.078) 6.965 4.030 ( 4.196 0.000 5.403) 6.841 4.092 ( -0.422 0.000 -0.465) 0.628 4.095 ( -4.262 0.000 -1.535) 4.530 4.258 ( 2.829 0.000 2.287) 3.638 4.356 ( -10.322 0.000 -4.071) 11.096 4.569 ( -3.963 0.000 -4.635) 6.099 4.678 ( -19.173 0.000 -15.979) 24.959 4.905 ( -1.973 0.000 5.463) 5.809 4.998 ( -3.175 0.000 11.451) 11.883 5.093 ( -5.402 0.000 -2.928) 6.145 5.107 ( -7.959 0.000 -6.248) 10.118 5.182 ( 3.823 0.000 1.428) 4.081 5.455 ( 6.859 0.000 5.597) 8.853 5.585 ( -11.190 0.000 -2.361) 11.437 5.843 ( 1.075 0.000 2.265) 2.507 5.885 ( 5.439 0.000 -8.164) 9.810 6.019 ( 6.906 0.000 -2.594) 7.377 6.213 ( 4.601 0.000 -0.820) 4.674 6.265 ( 8.361 0.000 -1.653) 8.522 6.418 ( 10.475 0.000 8.489) 13.483 6.560 ( -1.087 0.000 0.150) 1.098 6.781 ( -2.117 0.000 7.042) 7.353 6.819 ( -1.943 0.000 -0.199) 1.954 6.929 ( -9.798 0.000 17.214) 19.807 6.929 ( -0.827 0.000 -8.441) 8.481 6.982 ( -2.577 0.000 -1.846) 3.170 7.093 ( 9.041 0.000 5.886) 10.788 7.187 ( 2.699 0.000 4.533) 5.276 7.933 ( 1.537 0.000 -3.244) 3.590 8.295 ( -1.786 0.000 2.557) 3.119 8.416 ( -0.824 0.000 -0.726) 1.098 8.472 ( -11.262 0.000 1.052) 11.311 8.571 ( 4.343 0.000 -30.612) 30.919 8.769 ( 1.990 0.000 2.837) 3.466 8.903 ( 3.331 0.000 2.618) 4.237 8.971 ( -5.562 0.000 0.504) 5.585 9.160 ( -3.703 0.000 2.981) 4.754 9.173 ( -6.359 0.000 4.393) 7.729 9.446 ( 7.851 0.000 -0.024) 7.851 9.811 ( 1.886 0.000 1.036) 2.152 9.947 ( 4.027 0.000 9.780) 10.577 9.958 ( 4.193 0.000 -7.556) 8.642 10.020 ( 1.396 0.000 -3.027) 3.334 10.158 ( 5.717 0.000 4.428) 7.231 10.395 ( -3.356 0.000 9.420) 10.000 10.543 ( -3.424 0.000 -3.230) 4.707 10.811 ( -11.746 0.000 0.862) 11.778 10.878 ( -8.900 0.000 -1.337) 9.000 11.097 ( 0.530 0.000 -6.053) 6.076 11.184 ( 8.036 0.000 -4.270) 9.099 11.254 ( -7.425 0.000 -9.959) 12.422 11.378 ( 5.385 0.000 2.943) 6.136 11.998 ( 9.935 0.000 10.366) 14.358 12.049 ( 1.962 0.000 7.407) 7.663 12.339 ( 1.004 0.000 -0.904) 1.351 12.896 ( -7.120 0.000 3.882) 8.110 13.265 ( -1.260 0.000 2.484) 2.785 14.214 ( 3.447 0.000 -7.127) 7.917 14.303 ( 1.186 0.000 1.065) 1.594 14.381 ( 0.169 0.000 -1.365) 1.375 19.442 ( 0.989 0.000 1.371) 1.691 19.450 ( 0.454 0.000 1.167) 1.252 19.574 ( -0.544 0.000 -1.329) 1.436 19.588 ( 4.841 0.000 -17.560) 18.215 20.672 ( -1.674 0.000 1.007) 1.953 20.786 ( 1.631 0.000 -0.124) 1.636 21.342 ( 3.509 0.000 0.299) 3.522 21.831 ( -12.522 0.000 9.190) 15.533 21.975 ( -0.252 0.000 -0.206) 0.326 22.198 ( 3.191 0.000 10.914) 11.371 22.839 ( -1.255 0.000 -0.687) 1.431 23.280 ( -4.368 0.000 11.158) 11.982 23.651 ( 0.272 0.000 -1.357) 1.384 23.686 ( 0.882 0.000 1.715) 1.928 23.797 ( 2.839 0.000 -13.211) 13.512 24.120 ( 1.081 0.000 0.623) 1.248 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 21.587 0.000 -3.507) 21.870 1.327 ( 24.411 0.000 9.366) 26.146 1.578 ( 7.473 0.000 -5.940) 9.546 1.771 ( -6.705 0.000 -1.079) 6.791 1.944 ( -15.325 0.000 5.777) 16.377 1.963 ( -11.482 0.000 -3.671) 12.054 2.066 ( 18.228 0.000 21.953) 28.534 2.443 ( -4.428 0.000 2.247) 4.965 2.617 ( 1.941 0.000 -0.675) 2.055 2.665 ( 1.196 0.000 -0.015) 1.196 2.889 ( -5.126 0.000 -4.107) 6.568 3.060 ( 5.913 0.000 0.568) 5.940 3.100 ( -4.518 0.000 -0.367) 4.533 3.135 ( 7.158 0.000 12.106) 14.064 3.223 ( 1.045 0.000 2.215) 2.449 3.319 ( -1.308 0.000 -3.202) 3.459 3.401 ( 0.808 0.000 2.391) 2.524 3.530 ( 1.998 0.000 -2.855) 3.485 3.692 ( -16.940 0.000 -9.421) 19.383 3.804 ( 7.230 0.000 -7.393) 10.341 3.967 ( -6.344 0.000 5.151) 8.172 3.995 ( -4.626 0.000 -0.483) 4.651 4.203 ( -3.932 0.000 0.108) 3.934 4.209 ( 6.866 0.000 1.995) 7.150 4.291 ( -4.627 0.000 -8.269) 9.476 4.379 ( 6.209 0.000 5.722) 8.443 4.439 ( -3.510 0.000 -5.475) 6.504 4.798 ( -14.041 0.000 -7.756) 16.040 4.893 ( -1.375 0.000 -0.884) 1.635 4.980 ( 2.184 0.000 -3.175) 3.854 5.032 ( -3.530 0.000 5.747) 6.745 5.268 ( 3.753 0.000 -1.197) 3.939 5.393 ( -5.464 0.000 0.133) 5.466 5.591 ( 2.228 0.000 4.321) 4.862 5.920 ( 2.677 0.000 2.546) 3.694 5.937 ( 2.757 0.000 -4.313) 5.118 6.115 ( 2.607 0.000 0.269) 2.621 6.253 ( 1.122 0.000 -0.657) 1.300 6.429 ( 6.673 0.000 -0.980) 6.745 6.600 ( 1.324 0.000 2.327) 2.678 6.619 ( 0.833 0.000 3.924) 4.011 6.772 ( -2.073 0.000 1.496) 2.556 6.776 ( -1.491 0.000 5.450) 5.650 6.852 ( -0.910 0.000 -6.319) 6.384 6.892 ( -2.006 0.000 -3.951) 4.431 6.902 ( 1.354 0.000 3.408) 3.667 7.235 ( 0.653 0.000 -1.112) 1.289 7.286 ( 4.461 0.000 3.206) 5.493 7.952 ( 2.092 0.000 -2.818) 3.509 8.259 ( -7.490 0.000 1.046) 7.563 8.275 ( -1.115 0.000 1.678) 2.014 8.405 ( 0.004 0.000 -0.161) 0.162 8.484 ( -0.063 0.000 -7.398) 7.399 8.748 ( -3.046 0.000 0.635) 3.112 8.936 ( 0.321 0.000 -0.377) 0.495 8.977 ( 2.982 0.000 1.077) 3.170 9.065 ( -5.165 0.000 1.409) 5.353 9.132 ( -0.809 0.000 3.459) 3.552 9.579 ( 3.571 0.000 1.069) 3.727 9.848 ( 0.781 0.000 0.659) 1.022 10.005 ( -0.292 0.000 2.289) 2.308 10.008 ( 6.799 0.000 -8.391) 10.800 10.070 ( 2.691 0.000 -1.971) 3.336 10.290 ( -12.112 0.000 0.537) 12.124 10.388 ( 9.950 0.000 7.360) 12.377 10.481 ( 0.679 0.000 7.913) 7.942 10.670 ( -2.166 0.000 -2.533) 3.333 10.699 ( -6.817 0.000 -3.911) 7.859 11.011 ( -6.126 0.000 -7.083) 9.365 11.062 ( -0.418 0.000 -2.830) 2.861 11.302 ( 4.109 0.000 -2.101) 4.615 11.513 ( 3.067 0.000 2.319) 3.845 12.102 ( -0.228 0.000 3.535) 3.542 12.242 ( 5.990 0.000 6.982) 9.199 12.363 ( 1.079 0.000 -0.197) 1.096 12.758 ( -4.804 0.000 -2.426) 5.381 13.253 ( -0.859 0.000 1.267) 1.530 14.237 ( 1.331 0.000 -1.984) 2.390 14.336 ( 0.928 0.000 1.036) 1.391 14.373 ( -0.089 0.000 -1.237) 1.240 19.467 ( 0.313 0.000 1.037) 1.083 19.476 ( 0.988 0.000 1.526) 1.818 19.549 ( -0.709 0.000 -1.505) 1.664 19.573 ( 1.008 0.000 -4.942) 5.044 20.651 ( -0.740 0.000 0.540) 0.916 20.812 ( 0.714 0.000 0.017) 0.714 21.447 ( 5.914 0.000 -0.064) 5.914 21.640 ( -8.686 0.000 2.113) 8.939 21.969 ( -0.160 0.000 -0.129) 0.206 22.296 ( 1.576 0.000 2.956) 3.350 22.811 ( -0.729 0.000 -0.421) 0.841 23.263 ( -1.335 0.000 2.550) 2.878 23.650 ( 0.104 0.000 -0.376) 0.390 23.711 ( 0.565 0.000 0.589) 0.816 23.773 ( 0.338 0.000 -3.401) 3.418 24.143 ( 0.583 0.000 0.350) 0.680 ======================= Grid point 5 (4/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 0.000 28.498 0.000) 28.498 0.608 ( 0.000 31.156 0.000) 31.156 0.882 ( 0.000 42.306 0.000) 42.306 1.714 ( 0.000 4.614 0.000) 4.614 1.868 ( 0.000 11.803 0.000) 11.803 2.498 ( 0.000 6.489 0.000) 6.489 2.578 ( 0.000 -2.562 0.000) 2.562 2.610 ( 0.000 0.080 0.000) 0.080 2.662 ( 0.000 0.429 0.000) 0.429 2.689 ( 0.000 4.162 0.000) 4.162 2.804 ( 0.000 -6.268 0.000) 6.268 2.810 ( 0.000 -0.880 0.000) 0.880 3.001 ( 0.000 2.082 0.000) 2.082 3.062 ( 0.000 3.419 0.000) 3.419 3.114 ( 0.000 1.927 0.000) 1.927 3.358 ( 0.000 -13.242 0.000) 13.242 3.373 ( 0.000 -4.190 0.000) 4.190 3.715 ( 0.000 1.604 0.000) 1.604 3.743 ( 0.000 -8.183 0.000) 8.183 3.903 ( 0.000 -1.919 0.000) 1.919 4.009 ( 0.000 -8.687 0.000) 8.687 4.036 ( 0.000 -0.093 0.000) 0.093 4.197 ( 0.000 3.270 0.000) 3.270 4.448 ( 0.000 10.368 0.000) 10.368 4.574 ( 0.000 7.605 0.000) 7.605 4.660 ( 0.000 10.325 0.000) 10.325 4.759 ( 0.000 -17.280 0.000) 17.280 4.824 ( 0.000 4.975 0.000) 4.975 4.923 ( 0.000 -6.803 0.000) 6.803 4.953 ( 0.000 -0.391 0.000) 0.391 5.218 ( 0.000 -0.517 0.000) 0.517 5.229 ( 0.000 2.140 0.000) 2.140 5.386 ( 0.000 7.162 0.000) 7.162 5.711 ( 0.000 -2.077 0.000) 2.077 5.817 ( 0.000 -8.794 0.000) 8.794 5.870 ( 0.000 -3.960 0.000) 3.960 5.898 ( 0.000 -1.204 0.000) 1.204 6.164 ( 0.000 0.226 0.000) 0.226 6.206 ( 0.000 4.370 0.000) 4.370 6.269 ( 0.000 -6.827 0.000) 6.827 6.297 ( 0.000 -0.539 0.000) 0.539 6.629 ( 0.000 -2.646 0.000) 2.646 6.715 ( 0.000 -2.967 0.000) 2.967 6.913 ( 0.000 5.011 0.000) 5.011 6.943 ( 0.000 6.453 0.000) 6.453 7.046 ( 0.000 6.706 0.000) 6.706 7.062 ( 0.000 3.379 0.000) 3.379 7.210 ( 0.000 6.257 0.000) 6.257 7.932 ( 0.000 0.316 0.000) 0.316 8.284 ( 0.000 3.588 0.000) 3.588 8.354 ( 0.000 1.381 0.000) 1.381 8.629 ( 0.000 -7.536 0.000) 7.536 8.699 ( 0.000 2.203 0.000) 2.203 8.827 ( 0.000 1.286 0.000) 1.286 8.909 ( 0.000 2.818 0.000) 2.818 9.073 ( 0.000 -0.839 0.000) 0.839 9.113 ( 0.000 -3.645 0.000) 3.645 9.285 ( 0.000 2.565 0.000) 2.565 9.338 ( 0.000 0.812 0.000) 0.812 9.809 ( 0.000 -3.079 0.000) 3.079 9.880 ( 0.000 2.564 0.000) 2.564 9.953 ( 0.000 -6.972 0.000) 6.972 10.016 ( 0.000 -6.525 0.000) 6.525 10.182 ( 0.000 -1.229 0.000) 1.229 10.359 ( 0.000 -6.616 0.000) 6.616 10.418 ( 0.000 1.841 0.000) 1.841 10.558 ( 0.000 -8.406 0.000) 8.406 10.910 ( 0.000 -7.485 0.000) 7.485 10.975 ( 0.000 -5.722 0.000) 5.722 11.018 ( 0.000 -5.867 0.000) 5.867 11.371 ( 0.000 2.936 0.000) 2.936 11.540 ( 0.000 -6.870 0.000) 6.870 12.125 ( 0.000 19.147 0.000) 19.147 12.170 ( 0.000 4.539 0.000) 4.539 12.512 ( 0.000 13.417 0.000) 13.417 13.192 ( 0.000 -7.043 0.000) 7.043 13.342 ( 0.000 2.019 0.000) 2.019 13.636 ( 0.000 -0.204 0.000) 0.204 14.342 ( 0.000 -1.253 0.000) 1.253 14.376 ( 0.000 -0.853 0.000) 0.853 19.424 ( 0.000 -1.246 0.000) 1.246 19.511 ( 0.000 -2.331 0.000) 2.331 19.611 ( 0.000 2.825 0.000) 2.825 19.621 ( 0.000 2.618 0.000) 2.618 20.644 ( 0.000 -2.832 0.000) 2.832 20.832 ( 0.000 5.632 0.000) 5.632 20.882 ( 0.000 -4.340 0.000) 4.340 21.315 ( 0.000 0.618 0.000) 0.618 22.031 ( 0.000 -1.103 0.000) 1.103 22.737 ( 0.000 -10.903 0.000) 10.903 23.035 ( 0.000 1.343 0.000) 1.343 23.239 ( 0.000 -1.415 0.000) 1.415 23.426 ( 0.000 -2.206 0.000) 2.206 23.825 ( 0.000 12.154 0.000) 12.154 23.860 ( 0.000 -8.118 0.000) 8.118 24.199 ( 0.000 5.832 0.000) 5.832 ======================= Grid point 6 (5/72) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 17.401 2.123 8.468) 19.468 0.855 ( 21.450 19.131 -1.134) 28.764 1.530 ( 32.493 32.702 15.078) 48.503 1.695 ( -1.387 1.911 1.984) 3.084 1.875 ( -0.151 8.971 -0.864) 9.014 2.284 ( -15.758 1.092 1.076) 15.832 2.408 ( -12.278 0.717 0.346) 12.304 2.553 ( -12.529 0.466 2.325) 12.752 2.613 ( 1.791 1.567 -0.279) 2.396 2.660 ( -1.049 -0.943 2.711) 3.056 2.777 ( 2.249 -0.313 2.487) 3.367 2.941 ( 5.421 2.129 -0.847) 5.885 3.056 ( 5.109 8.514 7.605) 12.506 3.132 ( 0.797 3.354 1.604) 3.803 3.175 ( 4.740 -7.586 -0.634) 8.968 3.276 ( -3.599 -3.013 2.258) 5.209 3.406 ( 3.972 -6.008 -6.008) 9.379 3.617 ( -3.542 -2.135 -4.902) 6.414 3.623 ( -2.281 2.811 -6.240) 7.214 3.840 ( -6.391 -9.209 -2.724) 11.536 3.909 ( -2.430 -3.916 3.617) 5.859 4.096 ( 4.238 -4.085 2.805) 6.520 4.162 ( -8.321 1.047 1.952) 8.611 4.388 ( -1.889 6.996 -1.098) 7.329 4.482 ( -3.517 12.612 -3.086) 13.452 4.625 ( -2.669 7.936 -6.304) 10.481 4.693 ( -5.371 0.240 -8.449) 10.015 4.784 ( -2.410 -7.941 -2.256) 8.600 4.955 ( -2.997 -5.477 0.597) 6.272 4.985 ( -8.818 2.368 -6.237) 11.058 5.186 ( 2.305 1.025 2.857) 3.811 5.261 ( 2.172 -0.876 10.379) 10.640 5.448 ( 3.715 1.970 2.705) 5.000 5.621 ( -9.799 3.686 -1.568) 10.586 5.760 ( 4.385 -4.337 -4.973) 7.923 5.913 ( 3.688 -0.646 2.444) 4.471 6.003 ( 3.779 -1.335 -2.018) 4.487 6.199 ( 3.004 -2.925 2.421) 4.842 6.260 ( 9.270 -1.059 3.715) 10.042 6.352 ( 8.272 -4.515 1.598) 9.559 6.516 ( 0.128 -5.572 4.264) 7.018 6.624 ( -2.275 -5.611 6.028) 8.544 6.782 ( 5.832 -7.572 2.423) 9.860 6.916 ( -0.588 4.739 -0.535) 4.805 6.989 ( -1.596 5.293 -6.213) 8.317 7.026 ( -2.127 3.218 2.299) 4.491 7.122 ( 5.796 2.727 4.436) 7.792 7.217 ( 1.320 3.412 -0.007) 3.658 7.947 ( 1.981 1.648 -1.432) 2.948 8.272 ( -0.767 0.299 -0.014) 0.823 8.331 ( -1.960 -0.832 -0.799) 2.274 8.499 ( -9.959 0.454 2.846) 10.367 8.682 ( -5.179 3.373 -18.235) 19.254 8.749 ( 1.955 -0.508 -2.088) 2.905 8.893 ( 0.379 -0.885 2.113) 2.322 8.976 ( -2.432 -0.384 1.287) 2.778 9.153 ( -1.991 -0.832 3.562) 4.164 9.191 ( -4.223 0.698 7.361) 8.515 9.465 ( 4.733 2.837 -1.439) 5.702 9.742 ( 2.151 -13.133 -11.450) 17.556 9.869 ( -3.132 0.424 2.959) 4.330 9.949 ( 0.782 -1.062 7.646) 7.759 10.051 ( 4.455 -2.653 2.923) 5.953 10.236 ( 3.013 6.060 4.105) 7.916 10.382 ( 2.532 -4.114 1.617) 5.094 10.458 ( -4.821 -11.839 -3.596) 13.279 10.677 ( 5.579 -7.651 7.717) 12.215 10.736 ( -8.231 -9.419 -0.125) 12.509 10.862 ( -7.789 -2.105 -2.263) 8.380 11.162 ( 11.391 -2.242 -6.964) 13.538 11.272 ( -8.587 -2.954 -15.669) 18.110 11.470 ( 1.005 -0.379 3.398) 3.564 12.111 ( 0.407 10.936 11.999) 16.239 12.269 ( 4.084 16.146 1.059) 16.689 12.518 ( 0.777 12.888 -0.744) 12.933 12.907 ( -10.144 -0.300 1.850) 10.315 13.369 ( -0.016 8.450 0.779) 8.485 13.956 ( 12.114 -14.369 -5.689) 19.636 14.318 ( 0.316 -0.748 -0.887) 1.202 14.446 ( 1.258 1.399 2.962) 3.509 19.430 ( 0.258 -1.170 1.138) 1.653 19.483 ( -1.876 0.589 2.061) 2.848 19.551 ( 0.489 1.876 -2.586) 3.232 19.654 ( 2.594 3.745 -9.705) 10.721 20.650 ( -0.973 -2.128 1.379) 2.716 20.810 ( 0.893 2.163 -0.732) 2.452 21.134 ( 6.448 -18.725 5.869) 20.656 21.421 ( 5.942 -5.919 6.579) 10.659 22.005 ( -1.954 -0.254 -0.899) 2.165 22.669 ( -6.245 7.072 -0.801) 9.468 22.823 ( -6.764 5.568 -0.864) 8.803 23.224 ( -3.280 -6.149 6.233) 9.350 23.434 ( 1.246 -5.458 -3.524) 6.616 23.692 ( -2.404 -0.309 1.879) 3.067 23.999 ( 4.294 7.718 -4.386) 9.862 24.194 ( 0.070 6.741 0.150) 6.743 ======================= Grid point 7 (6/72) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 25.555 -15.511 6.566) 30.607 1.267 ( 14.488 7.970 -2.587) 16.736 1.640 ( -9.545 -5.700 -0.044) 11.117 1.788 ( -3.795 8.637 0.420) 9.443 2.001 ( -4.943 7.843 1.423) 9.379 2.125 ( -6.801 12.146 -1.281) 13.979 2.316 ( 6.985 5.061 8.740) 12.280 2.348 ( 6.252 7.798 7.982) 12.791 2.638 ( 0.222 -0.970 -0.548) 1.136 2.696 ( 1.410 3.068 -0.972) 3.513 2.865 ( 2.959 -5.535 5.488) 8.337 3.016 ( -0.270 -4.718 -2.430) 5.314 3.030 ( -4.260 1.422 -3.010) 5.407 3.168 ( -0.844 -3.663 0.177) 3.764 3.239 ( 1.890 -1.550 -2.473) 3.477 3.261 ( 0.313 2.439 5.748) 6.252 3.481 ( 3.102 4.444 5.690) 7.858 3.525 ( -1.712 2.186 -3.649) 4.586 3.607 ( 1.936 -12.952 -9.072) 15.932 3.697 ( -6.068 -16.301 3.056) 17.660 3.728 ( -12.162 2.550 -7.994) 14.775 3.971 ( -2.868 -4.496 2.029) 5.706 4.269 ( 5.404 5.818 6.562) 10.301 4.360 ( 1.907 4.789 -1.983) 5.523 4.481 ( 2.841 7.851 1.228) 8.439 4.533 ( -1.697 16.272 -6.432) 17.579 4.539 ( -3.846 11.051 0.858) 11.732 4.676 ( -8.794 -4.015 -8.758) 13.045 4.826 ( 2.322 -5.395 -2.366) 6.332 4.945 ( -2.868 -2.284 2.683) 4.543 5.092 ( -4.064 6.777 -2.252) 8.217 5.388 ( 1.886 3.981 1.854) 4.779 5.424 ( -4.601 2.777 1.400) 5.553 5.543 ( 1.423 -2.909 1.502) 3.569 5.840 ( 5.389 -5.332 -3.611) 8.397 5.919 ( -2.994 -3.294 1.917) 4.847 6.150 ( 5.666 2.752 3.494) 7.203 6.261 ( 1.380 0.070 -0.739) 1.567 6.382 ( 1.817 -6.758 -0.121) 6.999 6.502 ( 5.519 -4.296 0.697) 7.028 6.574 ( -1.124 -4.197 2.626) 5.077 6.696 ( 5.239 -3.586 4.580) 7.828 6.852 ( 2.833 0.557 -2.135) 3.590 6.871 ( -5.477 2.704 -2.643) 6.656 6.920 ( -0.003 1.259 3.654) 3.865 6.947 ( -2.708 5.693 -3.192) 7.066 7.228 ( -0.167 -0.197 -1.998) 2.014 7.242 ( 2.261 -4.187 2.646) 5.445 7.983 ( 1.799 3.404 -1.738) 4.225 8.235 ( -1.927 -0.826 1.243) 2.437 8.285 ( -2.852 0.548 -0.812) 3.016 8.371 ( -1.399 -0.523 1.003) 1.799 8.501 ( -3.128 1.010 -5.929) 6.780 8.748 ( -1.781 -0.105 0.380) 1.824 8.885 ( 0.015 -2.843 0.270) 2.856 9.007 ( 0.703 0.445 1.510) 1.725 9.128 ( -0.209 1.785 3.671) 4.087 9.170 ( -1.855 5.129 1.571) 5.676 9.502 ( 0.680 -7.217 -1.275) 7.360 9.730 ( 1.945 -10.975 -6.260) 12.784 9.890 ( 1.321 -9.236 3.642) 10.016 10.000 ( 0.213 1.394 0.487) 1.491 10.131 ( 1.776 -2.062 1.403) 3.062 10.296 ( -4.236 -2.812 -2.990) 5.898 10.403 ( 4.178 -1.236 5.166) 6.758 10.444 ( 1.896 2.483 3.062) 4.374 10.531 ( -3.970 -11.321 -2.064) 12.173 10.771 ( -0.852 3.028 3.236) 4.513 10.840 ( 2.101 -7.282 2.452) 7.966 10.977 ( -8.303 -3.524 -12.163) 15.143 11.312 ( 5.744 0.559 -3.923) 6.978 11.506 ( -0.131 -4.726 1.948) 5.113 12.237 ( 2.462 8.502 11.390) 14.425 12.317 ( 0.775 10.817 -3.689) 11.455 12.530 ( 0.544 11.870 -0.579) 11.897 12.768 ( -3.602 1.022 -0.885) 3.847 13.373 ( -0.043 11.117 0.714) 11.140 14.074 ( 3.074 -10.712 -2.168) 11.353 14.328 ( 0.446 -0.980 0.094) 1.081 14.461 ( -0.125 3.974 0.365) 3.992 19.447 ( 0.281 -1.417 1.563) 2.129 19.469 ( -0.173 -1.012 -0.923) 1.380 19.562 ( 0.547 2.290 0.872) 2.511 19.633 ( 0.279 4.548 -4.300) 6.265 20.637 ( -0.601 -1.327 0.546) 1.556 20.826 ( 0.536 1.166 -0.096) 1.287 21.226 ( 1.712 -17.972 1.020) 18.082 21.520 ( 0.743 -6.750 2.491) 7.233 21.963 ( -1.041 0.874 -0.527) 1.458 22.580 ( -1.670 17.718 0.437) 17.802 22.757 ( -1.096 -5.827 -0.206) 5.933 23.198 ( -1.311 -7.839 1.569) 8.101 23.434 ( 0.288 -6.279 -1.144) 6.389 23.686 ( 0.021 -2.442 0.593) 2.513 24.026 ( 0.832 12.974 -1.519) 13.089 24.202 ( 0.258 5.438 0.351) 5.455 ======================= Grid point 10 (7/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 0.000 26.643 0.000) 26.643 1.188 ( 0.000 28.737 0.000) 28.737 1.503 ( 0.000 18.145 0.000) 18.145 1.868 ( 0.000 13.296 0.000) 13.296 2.149 ( 0.000 15.729 0.000) 15.729 2.347 ( 0.000 -17.794 0.000) 17.794 2.415 ( 0.000 -13.482 0.000) 13.482 2.698 ( 0.000 -4.465 0.000) 4.465 2.710 ( 0.000 6.173 0.000) 6.173 2.776 ( 0.000 -1.319 0.000) 1.319 2.817 ( 0.000 16.655 0.000) 16.655 2.818 ( 0.000 2.952 0.000) 2.952 3.065 ( 0.000 -4.470 0.000) 4.470 3.082 ( 0.000 0.565 0.000) 0.565 3.161 ( 0.000 8.668 0.000) 8.668 3.204 ( 0.000 1.053 0.000) 1.053 3.336 ( 0.000 -1.646 0.000) 1.646 3.564 ( 0.000 -6.979 0.000) 6.979 3.718 ( 0.000 -1.025 0.000) 1.025 3.783 ( 0.000 -9.805 0.000) 9.805 3.959 ( 0.000 2.821 0.000) 2.821 4.105 ( 0.000 7.213 0.000) 7.213 4.213 ( 0.000 -3.069 0.000) 3.069 4.463 ( 0.000 -12.338 0.000) 12.338 4.533 ( 0.000 2.830 0.000) 2.830 4.619 ( 0.000 -11.623 0.000) 11.623 4.702 ( 0.000 -4.262 0.000) 4.262 4.945 ( 0.000 3.704 0.000) 3.704 4.961 ( 0.000 4.507 0.000) 4.507 5.018 ( 0.000 15.953 0.000) 15.953 5.160 ( 0.000 -5.656 0.000) 5.656 5.312 ( 0.000 6.058 0.000) 6.058 5.395 ( 0.000 -3.024 0.000) 3.024 5.681 ( 0.000 -0.731 0.000) 0.731 5.691 ( 0.000 -2.648 0.000) 2.648 5.864 ( 0.000 2.511 0.000) 2.511 5.880 ( 0.000 -0.795 0.000) 0.795 6.119 ( 0.000 -8.226 0.000) 8.226 6.161 ( 0.000 -0.849 0.000) 0.849 6.204 ( 0.000 -5.223 0.000) 5.223 6.267 ( 0.000 -1.487 0.000) 1.487 6.498 ( 0.000 -8.742 0.000) 8.742 6.772 ( 0.000 7.426 0.000) 7.426 7.015 ( 0.000 4.232 0.000) 4.232 7.083 ( 0.000 7.480 0.000) 7.480 7.175 ( 0.000 7.318 0.000) 7.318 7.193 ( 0.000 7.689 0.000) 7.689 7.298 ( 0.000 2.431 0.000) 2.431 7.939 ( 0.000 0.897 0.000) 0.897 8.363 ( 0.000 0.617 0.000) 0.617 8.420 ( 0.000 5.537 0.000) 5.537 8.466 ( 0.000 -5.411 0.000) 5.411 8.749 ( 0.000 2.713 0.000) 2.713 8.848 ( 0.000 0.784 0.000) 0.784 8.971 ( 0.000 2.444 0.000) 2.444 9.049 ( 0.000 -2.850 0.000) 2.850 9.067 ( 0.000 1.377 0.000) 1.377 9.297 ( 0.000 -1.458 0.000) 1.458 9.366 ( 0.000 2.134 0.000) 2.134 9.708 ( 0.000 -7.459 0.000) 7.459 9.797 ( 0.000 -7.886 0.000) 7.886 9.857 ( 0.000 -7.647 0.000) 7.647 9.959 ( 0.000 1.731 0.000) 1.731 10.010 ( 0.000 -14.261 0.000) 14.261 10.277 ( 0.000 -10.362 0.000) 10.362 10.312 ( 0.000 1.510 0.000) 1.510 10.536 ( 0.000 3.442 0.000) 3.442 10.798 ( 0.000 -5.226 0.000) 5.226 10.884 ( 0.000 -3.111 0.000) 3.111 10.919 ( 0.000 -3.875 0.000) 3.875 11.390 ( 0.000 0.049 0.000) 0.049 11.460 ( 0.000 -2.470 0.000) 2.470 12.319 ( 0.000 9.437 0.000) 9.437 12.452 ( 0.000 13.410 0.000) 13.410 12.754 ( 0.000 10.693 0.000) 10.693 13.044 ( 0.000 -7.149 0.000) 7.149 13.396 ( 0.000 3.345 0.000) 3.345 13.607 ( 0.000 -2.823 0.000) 2.823 14.315 ( 0.000 -1.384 0.000) 1.384 14.350 ( 0.000 -1.751 0.000) 1.751 19.406 ( 0.000 -0.488 0.000) 0.488 19.466 ( 0.000 -2.172 0.000) 2.172 19.669 ( 0.000 2.794 0.000) 2.794 19.672 ( 0.000 2.454 0.000) 2.454 20.606 ( 0.000 -0.913 0.000) 0.913 20.781 ( 0.000 -5.713 0.000) 5.713 20.953 ( 0.000 6.789 0.000) 6.789 21.302 ( 0.000 -2.372 0.000) 2.372 22.026 ( 0.000 1.275 0.000) 1.275 22.495 ( 0.000 -13.103 0.000) 13.103 23.064 ( 0.000 1.781 0.000) 1.781 23.202 ( 0.000 -2.369 0.000) 2.369 23.428 ( 0.000 2.020 0.000) 2.020 23.710 ( 0.000 -7.211 0.000) 7.211 24.048 ( 0.000 10.416 0.000) 10.416 24.282 ( 0.000 2.537 0.000) 2.537 ======================= Grid point 11 (8/72) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -12.475 22.300 -1.809) 25.616 1.278 ( 12.405 23.100 -1.851) 26.285 1.713 ( -5.965 0.183 4.044) 7.209 1.967 ( 3.422 0.579 0.489) 3.505 2.111 ( 8.952 16.727 -2.054) 19.083 2.220 ( -5.060 -2.536 5.595) 7.959 2.469 ( -9.294 5.745 1.185) 10.990 2.585 ( 1.750 -0.396 -0.596) 1.890 2.591 ( -4.976 1.123 -1.543) 5.329 2.707 ( -0.099 -0.701 0.470) 0.849 2.789 ( -4.259 4.021 -1.413) 6.025 2.933 ( -0.524 -4.607 0.087) 4.638 3.033 ( 0.545 -1.680 -2.636) 3.173 3.165 ( 3.666 0.611 -2.028) 4.234 3.211 ( 2.217 0.896 -1.903) 3.056 3.261 ( 2.991 6.940 3.707) 8.417 3.331 ( 3.135 -3.271 3.378) 5.651 3.516 ( -3.556 -4.740 0.349) 5.936 3.607 ( -8.884 -1.388 0.831) 9.030 3.801 ( 0.473 -6.921 -1.853) 7.180 3.849 ( -9.439 5.431 -5.053) 12.005 4.025 ( 1.255 1.015 2.164) 2.700 4.203 ( -2.318 1.669 2.911) 4.078 4.416 ( -1.822 -2.736 -2.077) 3.888 4.591 ( -2.492 -7.996 1.414) 8.494 4.647 ( 0.137 2.209 -2.280) 3.178 4.680 ( 5.474 -2.961 -4.471) 7.663 4.866 ( -4.466 4.869 -2.346) 7.011 4.926 ( 0.434 9.917 -6.156) 11.680 5.099 ( -2.711 6.470 -3.639) 7.903 5.210 ( 7.453 1.295 10.804) 13.189 5.240 ( -5.226 -0.174 2.453) 5.776 5.418 ( 1.183 -1.822 2.791) 3.537 5.677 ( -2.518 2.115 -2.013) 3.856 5.750 ( 0.851 1.647 -3.219) 3.715 5.866 ( 3.198 -2.925 2.586) 5.047 5.974 ( 2.528 -2.133 3.044) 4.496 6.099 ( 1.558 -6.788 4.526) 8.306 6.181 ( 5.444 -3.527 6.513) 9.192 6.331 ( 8.106 -0.285 -0.452) 8.124 6.364 ( 4.284 -8.636 5.053) 10.883 6.623 ( 7.378 -7.783 3.693) 11.343 6.672 ( -3.712 6.724 -4.922) 9.123 7.016 ( -2.691 5.225 -5.888) 8.319 7.047 ( -0.879 -0.947 3.127) 3.384 7.104 ( -5.338 4.661 -5.545) 8.998 7.217 ( 1.045 6.753 1.120) 6.925 7.293 ( -0.382 4.072 -1.322) 4.298 7.989 ( 4.092 2.699 1.088) 5.021 8.310 ( -2.924 1.882 -1.138) 3.659 8.388 ( -3.376 6.176 0.553) 7.060 8.461 ( -3.266 -3.563 3.530) 5.985 8.705 ( -1.743 1.608 -7.787) 8.140 8.782 ( -5.881 2.216 -11.262) 12.897 8.872 ( -3.851 -1.451 3.109) 5.158 8.963 ( -1.959 -0.216 -0.384) 2.008 9.115 ( -1.034 -2.775 3.479) 4.569 9.221 ( -1.316 2.406 8.731) 9.151 9.483 ( -1.516 -12.669 -14.061) 18.987 9.518 ( 0.164 1.225 -1.096) 1.652 9.745 ( -5.933 -10.932 1.540) 12.533 9.875 ( -1.690 -12.348 5.534) 13.637 9.979 ( 3.765 -0.579 7.281) 8.217 10.190 ( 5.406 -3.470 -3.713) 7.419 10.255 ( 0.752 -10.216 2.162) 10.470 10.360 ( 2.186 3.192 5.698) 6.887 10.653 ( 6.747 0.944 4.283) 8.048 10.686 ( -5.903 2.618 0.842) 6.512 10.798 ( -4.794 -3.853 -2.163) 6.519 11.079 ( 11.099 -6.131 -5.228) 13.715 11.257 ( -7.215 1.510 -10.790) 13.067 11.430 ( -1.912 -2.480 1.265) 3.377 12.326 ( -0.917 10.670 8.761) 13.836 12.567 ( 5.812 13.405 -0.329) 14.614 12.713 ( -3.226 5.855 -0.565) 6.708 12.880 ( -7.341 -1.141 -0.073) 7.430 13.510 ( 4.854 5.584 0.586) 7.422 13.749 ( 11.254 -7.423 -4.417) 14.187 14.303 ( 0.657 -0.367 -1.096) 1.330 14.427 ( 3.098 -2.649 4.000) 5.711 19.411 ( 0.286 -0.576 0.749) 0.987 19.461 ( -0.710 -1.695 0.609) 1.936 19.625 ( -1.337 4.288 1.320) 4.681 19.715 ( 2.296 2.278 -4.158) 5.268 20.611 ( -0.212 -1.358 1.084) 1.750 20.793 ( 0.858 -5.842 0.170) 5.908 20.970 ( 1.077 2.097 0.676) 2.453 21.333 ( 1.706 -5.202 1.899) 5.795 22.019 ( -0.503 2.249 -0.349) 2.330 22.511 ( 1.404 -12.840 -0.069) 12.917 22.987 ( -6.130 5.552 -2.282) 8.579 23.130 ( -4.228 -2.850 -0.676) 5.143 23.423 ( -0.568 2.050 0.558) 2.199 23.649 ( -2.844 -3.809 1.008) 4.859 24.141 ( 5.448 7.436 -0.098) 9.218 24.300 ( 1.025 3.498 0.143) 3.648 ======================= Grid point 12 (9/72) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( 16.140 -4.295 3.440) 17.052 1.317 ( -15.577 -6.313 -2.816) 17.042 1.666 ( 8.184 11.226 2.494) 14.114 1.958 ( 0.858 7.804 2.257) 8.169 2.130 ( -3.246 -7.071 -1.217) 7.875 2.174 ( -3.480 8.335 2.861) 9.475 2.354 ( -10.017 6.976 -5.754) 13.495 2.549 ( 3.321 -6.099 0.019) 6.945 2.601 ( -0.401 0.337 0.813) 0.967 2.763 ( -1.014 -3.886 3.691) 5.455 2.830 ( 2.051 -8.335 -2.688) 8.995 2.875 ( 9.805 12.212 2.834) 15.916 3.078 ( 4.345 -1.340 -5.228) 6.929 3.175 ( -1.489 -0.041 -0.940) 1.761 3.191 ( -2.189 0.029 -1.581) 2.700 3.269 ( -3.420 -0.850 -0.598) 3.575 3.366 ( -3.841 -8.962 5.196) 11.048 3.449 ( 1.792 -1.690 2.206) 3.307 3.584 ( 2.178 4.296 3.213) 5.790 3.697 ( -3.446 11.705 -3.694) 12.749 3.819 ( -6.428 4.334 -4.410) 8.919 3.847 ( -3.907 -5.675 1.169) 6.988 4.308 ( 4.349 -5.802 -0.029) 7.252 4.404 ( 2.231 5.420 6.336) 8.631 4.537 ( -2.907 -0.929 -2.324) 3.836 4.648 ( 0.129 4.661 -1.277) 4.834 4.727 ( 2.800 4.554 -3.427) 6.350 4.825 ( 0.070 8.112 3.555) 8.857 4.903 ( -0.355 4.774 -2.880) 5.586 5.006 ( -2.598 15.989 -4.378) 16.780 5.151 ( -3.650 -2.648 1.347) 4.707 5.365 ( 2.334 -1.262 2.199) 3.446 5.448 ( -0.128 0.043 1.854) 1.859 5.594 ( -2.216 7.028 -1.365) 7.495 5.736 ( 1.100 -6.111 -3.163) 6.968 5.845 ( -2.995 -3.432 1.994) 4.972 6.135 ( 3.489 -9.996 1.193) 10.655 6.187 ( 5.224 -0.774 8.217) 9.768 6.311 ( 0.945 -0.345 -1.127) 1.511 6.438 ( 1.211 -4.830 1.210) 5.125 6.527 ( 8.439 -1.147 0.165) 8.518 6.641 ( 0.075 -0.167 2.111) 2.119 6.790 ( 7.391 -5.768 -0.339) 9.381 6.915 ( -7.002 1.200 -2.755) 7.619 6.936 ( -2.813 0.842 -2.362) 3.769 7.060 ( 2.188 0.388 1.697) 2.796 7.174 ( -5.048 1.663 -1.146) 5.437 7.256 ( -1.594 3.015 -2.127) 4.019 8.081 ( 2.451 6.180 0.517) 6.668 8.246 ( -1.377 1.743 0.158) 2.227 8.341 ( -2.950 5.131 -2.207) 6.316 8.382 ( -1.086 1.904 2.641) 3.432 8.523 ( -4.495 1.239 -5.995) 7.594 8.741 ( -0.330 -0.592 0.342) 0.759 8.827 ( -1.465 -3.134 0.858) 3.564 8.998 ( 2.510 -2.092 0.375) 3.289 9.128 ( 2.216 -2.455 4.544) 5.620 9.242 ( -2.579 3.158 2.273) 4.668 9.308 ( -3.391 -12.525 -5.927) 14.266 9.559 ( 2.758 -6.250 -6.945) 9.742 9.614 ( -6.357 -15.329 2.641) 16.804 9.922 ( 1.448 -14.845 4.500) 15.580 10.057 ( 0.362 3.160 2.640) 4.134 10.239 ( 2.979 -1.891 -0.655) 3.589 10.292 ( 0.744 -6.365 -1.939) 6.695 10.445 ( 0.269 -0.648 6.421) 6.459 10.588 ( -0.912 9.717 -0.766) 9.790 10.717 ( -1.715 -3.227 0.779) 3.737 10.815 ( 3.318 -0.598 1.464) 3.676 11.032 ( -4.679 6.481 -7.294) 10.821 11.274 ( 8.643 -6.326 -5.118) 11.871 11.384 ( -4.418 -4.706 3.546) 7.365 12.381 ( 0.687 7.119 6.938) 9.965 12.535 ( -3.639 7.975 -4.741) 9.966 12.721 ( 2.109 7.669 0.117) 7.954 12.807 ( -1.249 3.464 0.867) 3.783 13.590 ( 2.216 9.422 0.382) 9.687 13.894 ( 4.068 -7.535 -1.980) 8.789 14.318 ( 0.687 0.457 -0.133) 0.836 14.484 ( 0.700 -1.353 1.213) 1.947 19.424 ( 0.265 -0.793 0.732) 1.112 19.449 ( -0.460 -1.034 -0.069) 1.134 19.626 ( 0.183 4.052 0.899) 4.155 19.718 ( 0.409 3.583 -2.182) 4.215 20.609 ( -0.302 -1.191 0.463) 1.313 20.809 ( 0.429 -5.532 0.084) 5.549 20.991 ( 0.460 -2.815 0.281) 2.866 21.371 ( 0.668 -8.853 0.935) 8.927 22.007 ( -0.277 3.810 -0.192) 3.824 22.541 ( 1.075 -13.227 -0.084) 13.270 22.859 ( -3.519 9.080 -0.756) 9.768 23.064 ( -1.583 -4.203 -0.397) 4.509 23.416 ( -0.245 2.025 0.188) 2.048 23.626 ( -0.412 -3.615 0.461) 3.667 24.224 ( 2.283 7.880 -0.067) 8.205 24.310 ( -0.065 4.756 0.079) 4.757 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.000 22.349 0.000) 22.349 1.685 ( 0.000 21.105 0.000) 21.105 1.695 ( 0.000 6.843 0.000) 6.843 1.976 ( 0.000 -10.241 0.000) 10.241 2.020 ( 0.000 -11.694 0.000) 11.694 2.121 ( 0.000 -14.479 0.000) 14.479 2.449 ( 0.000 13.761 0.000) 13.761 2.657 ( 0.000 -4.370 0.000) 4.370 2.683 ( 0.000 1.216 0.000) 1.216 2.806 ( 0.000 -4.546 0.000) 4.546 2.879 ( 0.000 10.249 0.000) 10.249 3.017 ( 0.000 2.131 0.000) 2.131 3.023 ( 0.000 0.402 0.000) 0.402 3.101 ( 0.000 -7.373 0.000) 7.373 3.133 ( 0.000 1.138 0.000) 1.138 3.251 ( 0.000 -6.858 0.000) 6.858 3.483 ( 0.000 20.063 0.000) 20.063 3.625 ( 0.000 10.682 0.000) 10.682 3.636 ( 0.000 -4.917 0.000) 4.917 3.759 ( 0.000 8.718 0.000) 8.718 3.953 ( 0.000 -6.887 0.000) 6.887 4.016 ( 0.000 -18.860 0.000) 18.860 4.245 ( 0.000 5.536 0.000) 5.536 4.308 ( 0.000 -2.598 0.000) 2.598 4.443 ( 0.000 -3.288 0.000) 3.288 4.531 ( 0.000 -9.195 0.000) 9.195 4.644 ( 0.000 8.697 0.000) 8.697 4.856 ( 0.000 -11.038 0.000) 11.038 5.005 ( 0.000 2.170 0.000) 2.170 5.063 ( 0.000 -3.802 0.000) 3.802 5.350 ( 0.000 7.909 0.000) 7.909 5.377 ( 0.000 0.587 0.000) 0.587 5.447 ( 0.000 13.028 0.000) 13.028 5.660 ( 0.000 -3.767 0.000) 3.767 5.739 ( 0.000 6.722 0.000) 6.722 5.869 ( 0.000 0.231 0.000) 0.231 5.869 ( 0.000 -4.504 0.000) 4.504 5.949 ( 0.000 -8.612 0.000) 8.612 6.098 ( 0.000 -1.953 0.000) 1.953 6.124 ( 0.000 -2.646 0.000) 2.646 6.272 ( 0.000 2.131 0.000) 2.131 6.349 ( 0.000 -6.049 0.000) 6.049 6.932 ( 0.000 7.892 0.000) 7.892 7.037 ( 0.000 -2.337 0.000) 2.337 7.213 ( 0.000 5.692 0.000) 5.692 7.281 ( 0.000 0.516 0.000) 0.516 7.307 ( 0.000 3.441 0.000) 3.441 7.314 ( 0.000 1.230 0.000) 1.230 8.001 ( 0.000 6.481 0.000) 6.481 8.187 ( 0.000 -11.771 0.000) 11.771 8.529 ( 0.000 4.228 0.000) 4.228 8.531 ( 0.000 4.218 0.000) 4.218 8.798 ( 0.000 2.448 0.000) 2.448 8.843 ( 0.000 -1.684 0.000) 1.684 8.988 ( 0.000 0.564 0.000) 0.564 9.007 ( 0.000 -1.455 0.000) 1.455 9.144 ( 0.000 5.310 0.000) 5.310 9.239 ( 0.000 -4.244 0.000) 4.244 9.426 ( 0.000 4.397 0.000) 4.397 9.545 ( 0.000 -8.115 0.000) 8.115 9.689 ( 0.000 -2.503 0.000) 2.503 9.725 ( 0.000 -5.379 0.000) 5.379 9.808 ( 0.000 -4.102 0.000) 4.102 9.862 ( 0.000 -8.117 0.000) 8.117 10.256 ( 0.000 5.115 0.000) 5.115 10.327 ( 0.000 -1.116 0.000) 1.116 10.599 ( 0.000 3.272 0.000) 3.272 10.685 ( 0.000 -5.819 0.000) 5.819 10.858 ( 0.000 0.115 0.000) 0.115 10.874 ( 0.000 -1.369 0.000) 1.369 11.397 ( 0.000 0.866 0.000) 0.866 11.422 ( 0.000 -1.651 0.000) 1.651 12.492 ( 0.000 7.789 0.000) 7.789 12.585 ( 0.000 -0.271 0.000) 0.271 12.905 ( 0.000 4.842 0.000) 4.842 12.956 ( 0.000 -1.970 0.000) 1.970 13.464 ( 0.000 3.643 0.000) 3.643 13.537 ( 0.000 -3.979 0.000) 3.979 14.299 ( 0.000 -0.041 0.000) 0.041 14.315 ( 0.000 -1.607 0.000) 1.607 19.407 ( 0.000 0.658 0.000) 0.658 19.430 ( 0.000 -1.603 0.000) 1.603 19.708 ( 0.000 1.103 0.000) 1.103 19.708 ( 0.000 1.106 0.000) 1.106 20.615 ( 0.000 1.871 0.000) 1.871 20.678 ( 0.000 -4.584 0.000) 4.584 21.089 ( 0.000 7.205 0.000) 7.205 21.219 ( 0.000 -5.976 0.000) 5.976 22.098 ( 0.000 6.246 0.000) 6.246 22.262 ( 0.000 -10.655 0.000) 10.655 23.104 ( 0.000 2.331 0.000) 2.331 23.152 ( 0.000 -2.628 0.000) 2.628 23.490 ( 0.000 4.195 0.000) 4.195 23.585 ( 0.000 -5.705 0.000) 5.705 24.211 ( 0.000 6.362 0.000) 6.362 24.290 ( 0.000 -1.811 0.000) 1.811 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -20.414 20.921 -2.973) 29.381 1.570 ( -21.802 -14.612 -2.137) 26.333 1.705 ( 7.490 16.917 0.793) 18.518 1.881 ( 3.637 -1.152 5.837) 6.973 2.206 ( 1.359 -2.464 -6.159) 6.772 2.267 ( 5.818 -5.128 -0.252) 7.759 2.450 ( 7.411 3.163 -4.347) 9.156 2.541 ( -6.504 -4.149 -4.764) 9.067 2.688 ( -0.158 2.790 -1.208) 3.044 2.748 ( -3.460 4.462 -0.602) 5.678 2.821 ( -7.385 2.053 -6.135) 9.818 2.893 ( -6.325 1.217 -4.327) 7.760 3.084 ( 3.533 0.295 3.969) 5.322 3.103 ( -2.472 -7.208 3.389) 8.339 3.187 ( 3.641 -0.603 1.854) 4.130 3.211 ( -1.516 -4.789 -1.000) 5.122 3.466 ( -1.587 13.328 3.243) 13.808 3.568 ( -3.838 7.473 -3.450) 9.082 3.616 ( -0.839 -4.246 2.914) 5.218 3.702 ( -3.692 -0.616 -3.641) 5.222 3.942 ( -1.336 3.869 -2.225) 4.659 4.051 ( 4.473 -2.200 1.965) 5.357 4.213 ( -3.416 0.759 3.914) 5.250 4.316 ( -0.614 -7.309 2.190) 7.654 4.501 ( 3.974 2.603 3.609) 5.966 4.607 ( 4.040 -5.271 2.013) 6.939 4.705 ( 4.752 6.857 -0.451) 8.355 4.911 ( 2.730 -11.491 -1.409) 11.895 4.952 ( -1.463 4.628 -0.941) 4.944 5.054 ( -0.769 -5.440 1.841) 5.795 5.347 ( -0.298 6.001 -2.001) 6.333 5.367 ( 0.105 8.982 0.560) 9.000 5.458 ( -0.106 7.598 4.469) 8.815 5.678 ( -3.279 -7.944 2.967) 9.092 5.760 ( 0.912 4.178 -2.553) 4.980 5.844 ( -1.479 -2.361 -3.464) 4.445 5.922 ( 3.699 0.141 2.336) 4.377 5.990 ( 5.046 -4.937 1.955) 7.325 6.146 ( 4.534 0.244 5.905) 7.449 6.203 ( 5.560 -5.931 4.293) 9.194 6.361 ( 6.427 3.080 3.239) 7.828 6.464 ( 7.319 -7.483 3.486) 11.032 6.835 ( -5.590 8.570 -3.633) 10.859 6.978 ( -5.050 -5.886 -0.307) 7.762 7.107 ( -5.209 3.877 -7.461) 9.891 7.150 ( -6.127 -0.169 -7.241) 9.487 7.333 ( -0.171 4.149 0.613) 4.197 7.356 ( -0.191 1.676 0.332) 1.719 8.074 ( 5.421 6.673 1.897) 8.804 8.232 ( 2.499 -8.603 1.810) 9.140 8.481 ( -2.308 4.146 -1.715) 5.046 8.502 ( -2.713 3.403 0.342) 4.365 8.755 ( -2.471 2.845 -3.467) 5.121 8.800 ( -3.666 -1.280 -2.205) 4.465 8.857 ( -9.471 2.674 -3.118) 10.323 8.958 ( -4.239 -3.344 -2.026) 5.767 9.078 ( -4.063 1.567 -2.334) 4.940 9.191 ( -3.678 -7.589 -3.133) 8.997 9.369 ( -2.783 3.528 -1.510) 4.740 9.482 ( -1.137 -5.657 0.147) 5.772 9.579 ( -3.969 -2.435 -2.713) 5.390 9.652 ( -1.711 -8.828 0.998) 9.048 9.968 ( 5.314 0.772 10.775) 12.039 10.045 ( 6.022 -7.409 8.329) 12.670 10.276 ( 0.727 6.579 -0.974) 6.690 10.377 ( 1.257 -2.496 3.186) 4.238 10.666 ( 4.891 0.477 2.533) 5.529 10.689 ( 0.807 -2.226 0.153) 2.373 10.819 ( -0.737 5.931 -1.400) 6.139 10.948 ( 5.794 -7.065 -2.595) 9.499 11.311 ( -4.448 3.508 -6.034) 8.276 11.377 ( -2.684 -3.154 -2.554) 4.866 12.513 ( -1.019 8.674 6.029) 10.612 12.652 ( 0.839 -4.967 4.813) 6.967 12.817 ( -3.441 6.944 -3.790) 8.627 12.888 ( -1.902 -0.255 -2.687) 3.302 13.589 ( 7.783 3.039 0.212) 8.358 13.648 ( 9.020 -3.660 -2.072) 9.952 14.314 ( 1.721 1.667 0.129) 2.399 14.365 ( 2.863 -3.331 2.349) 4.981 19.411 ( 0.141 0.543 0.657) 0.864 19.430 ( -0.151 -1.369 0.633) 1.516 19.698 ( -0.205 3.077 0.918) 3.217 19.734 ( 1.371 -0.448 -0.610) 1.567 20.613 ( -0.237 1.697 0.175) 1.723 20.678 ( 0.031 -4.990 -0.127) 4.991 21.072 ( -1.045 6.845 -0.783) 6.969 21.211 ( -0.703 -7.180 -0.090) 7.215 22.104 ( 0.543 6.730 -0.032) 6.751 22.275 ( 1.065 -10.930 -0.044) 10.982 23.055 ( -3.612 2.308 -1.768) 4.637 23.092 ( -4.034 -1.682 -1.691) 4.687 23.483 ( -0.748 3.888 0.774) 4.034 23.566 ( -1.414 -4.542 0.786) 4.822 24.265 ( 3.736 5.010 0.737) 6.293 24.324 ( 2.327 -0.949 0.579) 2.579 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.907 ( -3.616 8.126 -0.782) 8.928 1.118 ( -17.440 -12.252 -1.718) 21.383 1.915 ( 9.217 10.833 3.783) 14.718 2.035 ( 6.332 -0.935 4.830) 8.019 2.100 ( -4.272 5.321 -1.460) 6.978 2.272 ( 0.213 -3.319 -0.189) 3.331 2.323 ( -9.019 -2.698 -3.170) 9.933 2.428 ( -9.251 -4.474 -11.198) 15.198 2.682 ( -2.947 0.572 -3.380) 4.521 2.710 ( 0.082 7.259 -0.375) 7.269 2.749 ( 6.699 -3.034 -0.833) 7.400 2.850 ( 7.348 -6.038 -5.264) 10.871 2.994 ( -10.853 -5.240 0.931) 12.088 3.057 ( -2.478 -6.807 4.279) 8.413 3.260 ( 2.414 2.783 3.408) 5.018 3.284 ( 1.404 0.379 1.586) 2.151 3.463 ( -0.913 10.995 -1.474) 11.131 3.509 ( 0.971 5.663 2.386) 6.221 3.606 ( -1.312 -2.190 -0.926) 2.715 3.662 ( 1.362 -8.622 0.419) 8.739 3.946 ( 0.801 12.137 -0.736) 12.186 4.058 ( -4.074 16.406 0.873) 16.927 4.156 ( -0.191 -8.837 -1.475) 8.962 4.369 ( 1.778 -11.642 2.601) 12.060 4.583 ( 1.373 5.391 1.883) 5.873 4.666 ( 1.007 -2.532 0.108) 2.727 4.815 ( 3.896 5.626 2.547) 7.301 4.906 ( -0.099 0.485 0.656) 0.822 4.988 ( 3.575 1.614 -4.656) 6.088 5.049 ( -2.685 -4.163 4.740) 6.856 5.300 ( -1.107 12.400 -1.691) 12.564 5.406 ( 1.256 2.924 1.173) 3.392 5.486 ( 0.744 2.791 0.820) 3.002 5.580 ( -4.145 -8.239 -0.764) 9.255 5.732 ( -1.459 5.038 -0.462) 5.266 5.799 ( -0.863 -2.336 -1.184) 2.758 6.007 ( 1.786 -0.233 1.388) 2.274 6.109 ( 3.928 -7.232 2.707) 8.663 6.296 ( 2.433 0.400 2.105) 3.242 6.359 ( 5.130 -4.695 4.051) 8.049 6.506 ( 4.200 2.732 2.334) 5.527 6.616 ( 3.282 -6.580 -0.392) 7.363 6.767 ( 2.473 6.231 0.289) 6.710 6.894 ( -0.120 -4.828 -1.098) 4.952 6.954 ( -4.884 1.158 -4.243) 6.573 6.986 ( -5.441 -2.995 -2.295) 6.622 7.277 ( -3.594 4.616 -1.509) 6.042 7.308 ( -2.610 1.245 -1.709) 3.359 8.189 ( 3.160 4.731 1.782) 5.962 8.256 ( -1.221 -1.770 0.976) 2.361 8.427 ( -1.537 4.795 -0.316) 5.045 8.479 ( 0.249 2.169 1.532) 2.667 8.578 ( -5.148 8.443 -8.450) 13.008 8.728 ( -1.064 -1.113 -0.215) 1.555 8.773 ( -1.412 -2.076 1.031) 2.714 8.862 ( -2.857 -12.623 -0.934) 12.976 9.046 ( 2.454 -1.977 0.889) 3.275 9.104 ( -0.656 -7.026 -3.755) 7.994 9.331 ( -3.508 5.790 0.485) 6.787 9.449 ( -2.847 -5.975 1.696) 6.832 9.481 ( -1.768 2.669 -2.895) 4.316 9.646 ( -0.240 -12.662 1.331) 12.734 10.117 ( 2.481 3.049 5.680) 6.908 10.183 ( 3.489 -3.920 4.223) 6.736 10.275 ( 0.448 4.023 -1.773) 4.420 10.380 ( -1.717 -5.664 1.290) 6.058 10.711 ( 0.981 3.116 0.506) 3.306 10.767 ( 2.263 0.304 3.223) 3.950 10.818 ( 0.306 7.941 -2.719) 8.399 11.024 ( 1.991 -9.906 -2.946) 10.524 11.222 ( -0.361 4.754 -2.064) 5.195 11.316 ( -1.471 -3.972 -0.807) 4.312 12.505 ( -1.570 5.600 2.737) 6.428 12.583 ( -3.894 -1.869 -1.041) 4.443 12.841 ( 2.667 4.505 0.337) 5.246 12.871 ( 0.133 1.570 -0.245) 1.595 13.714 ( 3.415 4.070 -0.156) 5.315 13.784 ( 3.924 -4.112 -1.145) 5.798 14.355 ( 1.353 3.241 0.317) 3.526 14.428 ( 1.453 -3.896 1.040) 4.286 19.419 ( 0.130 0.255 0.453) 0.536 19.430 ( -0.147 -0.853 0.307) 0.918 19.705 ( 0.192 3.773 0.517) 3.814 19.750 ( 0.485 -0.463 -0.336) 0.750 20.609 ( -0.166 1.554 0.103) 1.566 20.678 ( 0.051 -5.715 -0.063) 5.715 21.049 ( -0.557 6.136 -0.426) 6.176 21.196 ( -0.473 -8.795 -0.104) 8.808 22.114 ( 0.300 7.399 -0.023) 7.405 22.295 ( 0.598 -11.406 -0.052) 11.421 22.972 ( -2.308 3.393 -0.903) 4.201 23.015 ( -1.852 -1.730 -0.786) 2.653 23.475 ( -0.316 3.721 0.374) 3.753 23.551 ( -0.395 -4.040 0.407) 4.080 24.335 ( 1.954 3.671 0.409) 4.178 24.364 ( 0.854 0.677 0.224) 1.113 ======================= Grid point 35 (13/72) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.650 ( -2.897 0.000 30.242) 30.381 0.671 ( 4.410 0.000 31.045) 31.357 1.220 ( -3.811 0.000 53.466) 53.601 1.862 ( -0.929 0.000 10.158) 10.200 1.867 ( 0.525 0.000 18.615) 18.622 2.426 ( -3.141 0.000 2.974) 4.325 2.526 ( 2.316 0.000 0.732) 2.429 2.585 ( 1.501 0.000 -2.462) 2.883 2.670 ( 6.039 0.000 4.826) 7.730 2.755 ( 4.077 0.000 5.528) 6.868 2.834 ( -11.887 0.000 2.938) 12.245 2.838 ( 16.932 0.000 -6.504) 18.138 3.001 ( 3.248 0.000 0.192) 3.253 3.052 ( -1.444 0.000 -3.658) 3.932 3.068 ( -4.711 0.000 0.811) 4.780 3.162 ( 3.761 0.000 -4.658) 5.987 3.444 ( -5.179 0.000 1.241) 5.325 3.627 ( -3.832 0.000 -5.931) 7.061 3.775 ( -7.352 0.000 6.424) 9.763 3.891 ( 4.073 0.000 -3.114) 5.127 3.952 ( 2.207 0.000 -6.351) 6.724 4.102 ( -1.953 0.000 0.795) 2.108 4.151 ( 0.488 0.000 -2.315) 2.366 4.253 ( 0.566 0.000 4.666) 4.700 4.332 ( 2.968 0.000 -13.389) 13.714 4.664 ( -5.309 0.000 2.231) 5.759 4.815 ( -8.053 0.000 -9.369) 12.354 4.892 ( 14.016 0.000 -3.185) 14.373 5.034 ( 12.340 0.000 5.816) 13.642 5.148 ( 1.573 0.000 2.055) 2.588 5.171 ( -6.442 0.000 -4.023) 7.595 5.225 ( -6.612 0.000 0.109) 6.613 5.417 ( -8.774 0.000 -6.617) 10.989 5.631 ( -4.331 0.000 -4.748) 6.427 5.708 ( -1.991 0.000 -2.274) 3.022 5.875 ( -3.379 0.000 -1.835) 3.845 5.971 ( -4.769 0.000 2.368) 5.325 6.013 ( 8.350 0.000 -4.971) 9.718 6.106 ( 4.580 0.000 2.596) 5.265 6.404 ( 2.541 0.000 7.167) 7.604 6.591 ( -1.271 0.000 -4.115) 4.306 6.712 ( 22.861 0.000 5.249) 23.456 6.765 ( -4.909 0.000 -6.829) 8.411 6.813 ( -0.174 0.000 -11.338) 11.340 6.951 ( 4.184 0.000 -0.878) 4.275 6.958 ( 7.927 0.000 4.595) 9.163 7.109 ( -3.865 0.000 5.054) 6.363 7.194 ( 3.432 0.000 2.258) 4.108 7.971 ( -4.086 0.000 4.256) 5.900 8.324 ( 2.787 0.000 0.729) 2.881 8.358 ( -15.553 0.000 -1.731) 15.649 8.433 ( -1.379 0.000 1.453) 2.003 8.711 ( 4.353 0.000 2.152) 4.856 8.818 ( 0.083 0.000 7.484) 7.484 8.835 ( -4.861 0.000 3.309) 5.880 9.053 ( 4.235 0.000 -2.305) 4.822 9.173 ( 3.284 0.000 -1.750) 3.721 9.245 ( 1.317 0.000 1.112) 1.724 9.262 ( -1.249 0.000 -5.084) 5.236 9.690 ( 6.677 0.000 -9.890) 11.933 9.879 ( -2.894 0.000 -4.269) 5.158 10.007 ( 2.247 0.000 -7.376) 7.710 10.028 ( -4.580 0.000 1.118) 4.715 10.206 ( 2.479 0.000 2.682) 3.652 10.402 ( 3.881 0.000 -1.293) 4.091 10.676 ( -2.944 0.000 8.011) 8.534 10.858 ( 9.812 0.000 -10.773) 14.572 10.987 ( -0.437 0.000 -3.847) 3.872 11.038 ( -3.454 0.000 -6.072) 6.986 11.115 ( -12.327 0.000 2.732) 12.626 11.212 ( 0.009 0.000 1.735) 1.735 11.571 ( -16.111 0.000 -12.573) 20.436 12.076 ( 7.143 0.000 7.480) 10.343 12.200 ( -6.873 0.000 8.410) 10.861 12.331 ( -1.625 0.000 -0.203) 1.638 13.061 ( 32.959 0.000 -9.694) 34.355 13.378 ( -12.030 0.000 4.188) 12.738 13.604 ( -0.701 0.000 12.410) 12.430 14.279 ( 1.507 0.000 -0.962) 1.788 14.343 ( -0.519 0.000 -3.564) 3.602 19.477 ( 0.098 0.000 4.570) 4.571 19.523 ( 0.930 0.000 7.261) 7.320 19.650 ( -3.246 0.000 5.842) 6.683 20.183 ( -47.548 0.000 -1.966) 47.589 20.753 ( 0.052 0.000 5.438) 5.438 20.806 ( -2.017 0.000 3.998) 4.478 21.272 ( 1.635 0.000 -2.909) 3.337 21.878 ( 15.268 0.000 -10.668) 18.626 21.971 ( -0.059 0.000 -0.520) 0.523 22.240 ( 18.145 0.000 4.032) 18.588 22.865 ( -1.133 0.000 0.814) 1.395 23.103 ( 19.745 0.000 -0.195) 19.746 23.603 ( 0.595 0.000 -2.573) 2.641 23.658 ( -14.682 0.000 -4.417) 15.332 23.720 ( -0.198 0.000 2.776) 2.783 24.077 ( 1.003 0.000 -2.405) 2.606 ======================= Grid point 36 (14/72) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.837 ( 9.983 0.000 24.220) 26.197 1.119 ( 17.065 0.000 24.318) 29.708 1.589 ( 1.902 0.000 22.451) 22.532 1.906 ( -2.034 0.000 9.559) 9.773 2.133 ( 12.076 0.000 34.618) 36.664 2.246 ( -14.885 0.000 0.638) 14.899 2.420 ( -17.298 0.000 3.563) 17.661 2.592 ( 0.609 0.000 -2.265) 2.345 2.647 ( -0.029 0.000 3.776) 3.777 2.678 ( -6.634 0.000 2.237) 7.001 2.877 ( 4.031 0.000 -2.948) 4.994 3.046 ( 0.375 0.000 7.509) 7.518 3.077 ( 2.099 0.000 -3.277) 3.891 3.135 ( 12.039 0.000 4.000) 12.686 3.148 ( 6.085 0.000 -2.305) 6.507 3.226 ( 3.833 0.000 -1.951) 4.301 3.394 ( 1.839 0.000 -2.479) 3.087 3.451 ( -6.439 0.000 -4.865) 8.070 3.687 ( -2.495 0.000 3.011) 3.910 3.890 ( -5.013 0.000 -5.813) 7.676 3.996 ( 6.609 0.000 -0.403) 6.622 4.033 ( -6.694 0.000 -4.581) 8.111 4.152 ( -0.137 0.000 0.848) 0.859 4.232 ( -7.622 0.000 -14.111) 16.038 4.321 ( 3.702 0.000 3.682) 5.221 4.403 ( -13.168 0.000 -1.065) 13.211 4.548 ( -5.967 0.000 2.308) 6.398 4.819 ( -0.698 0.000 -7.944) 7.974 4.977 ( -4.819 0.000 -1.654) 5.095 4.995 ( -13.229 0.000 -5.022) 14.150 5.196 ( 1.649 0.000 -0.219) 1.664 5.197 ( -5.463 0.000 -0.884) 5.534 5.540 ( -6.251 0.000 -0.642) 6.284 5.597 ( 0.087 0.000 -4.167) 4.168 5.663 ( 21.141 0.000 -1.826) 21.220 5.907 ( 2.416 0.000 2.901) 3.775 5.989 ( 4.095 0.000 0.741) 4.162 6.153 ( 4.952 0.000 -4.686) 6.818 6.260 ( 7.178 0.000 -0.880) 7.232 6.536 ( 0.709 0.000 -3.472) 3.544 6.548 ( 8.212 0.000 2.031) 8.460 6.692 ( 4.322 0.000 -9.579) 10.509 6.764 ( 0.148 0.000 -6.227) 6.228 6.892 ( -1.812 0.000 8.122) 8.322 6.916 ( -6.550 0.000 -2.793) 7.120 6.978 ( -5.773 0.000 -10.204) 11.724 7.189 ( 1.516 0.000 2.131) 2.615 7.244 ( 6.586 0.000 6.971) 9.590 7.942 ( -0.939 0.000 4.126) 4.231 8.304 ( 5.026 0.000 -0.976) 5.120 8.356 ( -1.288 0.000 2.011) 2.388 8.415 ( -0.972 0.000 1.526) 1.810 8.562 ( -12.749 0.000 6.401) 14.266 8.856 ( -1.104 0.000 3.473) 3.645 8.935 ( 4.662 0.000 0.814) 4.732 8.974 ( -7.092 0.000 0.331) 7.100 9.180 ( 0.546 0.000 -1.219) 1.336 9.231 ( -4.884 0.000 2.396) 5.440 9.409 ( 12.062 0.000 -2.977) 12.424 9.755 ( 4.731 0.000 -8.154) 9.427 9.799 ( -0.823 0.000 -6.209) 6.263 9.959 ( -0.002 0.000 -2.493) 2.493 9.965 ( 1.090 0.000 -5.527) 5.634 10.342 ( 6.766 0.000 8.298) 10.707 10.388 ( -2.338 0.000 -7.394) 7.755 10.637 ( -5.841 0.000 5.830) 8.252 10.795 ( -9.588 0.000 -4.636) 10.650 10.822 ( -10.582 0.000 2.161) 10.800 10.967 ( 4.637 0.000 -5.763) 7.397 11.100 ( -8.525 0.000 -2.207) 8.806 11.103 ( 8.990 0.000 -1.425) 9.102 11.425 ( 5.067 0.000 -1.633) 5.324 12.212 ( -2.125 0.000 6.034) 6.398 12.276 ( 3.610 0.000 8.584) 9.312 12.320 ( 2.895 0.000 0.080) 2.896 12.917 ( -12.395 0.000 -1.240) 12.456 13.453 ( -4.146 0.000 12.450) 13.122 13.894 ( 17.165 0.000 -12.256) 21.091 14.304 ( 1.526 0.000 -3.635) 3.942 14.325 ( 1.169 0.000 -1.230) 1.697 19.523 ( 0.565 0.000 5.865) 5.892 19.581 ( -5.801 0.000 11.837) 13.182 19.616 ( -3.191 0.000 5.067) 5.988 19.650 ( -6.112 0.000 7.119) 9.383 20.738 ( -3.667 0.000 4.953) 6.162 20.829 ( 0.588 0.000 4.091) 4.133 21.313 ( 4.163 0.000 -3.144) 5.217 21.799 ( -7.117 0.000 -6.998) 9.982 21.965 ( -0.113 0.000 -0.481) 0.494 22.356 ( -0.979 0.000 2.595) 2.773 22.836 ( -1.661 0.000 0.455) 1.722 23.377 ( -6.085 0.000 -3.429) 6.985 23.520 ( 12.492 0.000 -7.373) 14.506 23.611 ( 1.337 0.000 -1.906) 2.328 23.735 ( -0.133 0.000 2.380) 2.384 24.098 ( 2.077 0.000 -2.503) 3.252 ======================= Grid point 37 (15/72) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( 20.345 0.000 15.440) 25.541 1.610 ( 14.236 0.000 15.991) 21.410 1.643 ( -5.020 0.000 9.803) 11.014 1.789 ( -19.115 0.000 2.442) 19.271 1.956 ( -4.846 0.000 3.488) 5.971 1.984 ( -19.577 0.000 -3.488) 19.886 2.405 ( -9.655 0.000 9.384) 13.464 2.479 ( -6.849 0.000 1.452) 7.001 2.667 ( 1.323 0.000 -0.110) 1.328 2.763 ( -3.958 0.000 -6.462) 7.578 2.935 ( 3.543 0.000 22.803) 23.077 2.991 ( 0.338 0.000 2.609) 2.631 3.086 ( -5.630 0.000 -12.878) 14.055 3.128 ( 1.215 0.000 -0.355) 1.266 3.234 ( -2.585 0.000 -1.670) 3.077 3.276 ( 1.781 0.000 -2.591) 3.144 3.448 ( -8.155 0.000 -6.009) 10.130 3.508 ( 8.908 0.000 -4.159) 9.831 3.578 ( 0.631 0.000 7.016) 7.044 3.741 ( 2.565 0.000 4.392) 5.086 3.858 ( 0.974 0.000 -8.576) 8.631 4.070 ( -2.656 0.000 5.291) 5.921 4.094 ( 2.024 0.000 -9.059) 9.282 4.205 ( 4.570 0.000 -1.445) 4.793 4.366 ( 0.103 0.000 10.891) 10.891 4.378 ( -1.832 0.000 -0.122) 1.836 4.568 ( 4.308 0.000 10.558) 11.403 4.710 ( -5.499 0.000 -1.094) 5.607 4.807 ( 3.824 0.000 -8.269) 9.110 4.928 ( -0.650 0.000 2.634) 2.713 5.102 ( -3.408 0.000 -1.422) 3.692 5.250 ( 3.986 0.000 0.059) 3.986 5.458 ( -4.395 0.000 5.045) 6.691 5.548 ( -1.249 0.000 -6.808) 6.922 5.929 ( -1.026 0.000 -1.706) 1.991 5.939 ( 6.778 0.000 2.116) 7.100 6.102 ( 4.701 0.000 0.098) 4.702 6.218 ( 3.597 0.000 -2.272) 4.254 6.344 ( 4.421 0.000 -10.954) 11.812 6.484 ( 0.275 0.000 -11.755) 11.758 6.677 ( 0.406 0.000 0.962) 1.044 6.694 ( -9.164 0.000 -8.884) 12.764 6.731 ( -1.937 0.000 -5.368) 5.707 6.817 ( 6.128 0.000 1.365) 6.278 6.852 ( 5.854 0.000 1.118) 5.959 6.956 ( -0.490 0.000 8.621) 8.635 7.218 ( 0.490 0.000 -2.949) 2.989 7.334 ( -1.370 0.000 1.301) 1.890 7.998 ( 2.857 0.000 6.449) 7.054 8.297 ( -4.019 0.000 0.020) 4.019 8.337 ( -7.778 0.000 2.741) 8.247 8.415 ( -0.034 0.000 1.152) 1.153 8.456 ( 5.959 0.000 5.265) 7.952 8.793 ( -4.967 0.000 3.546) 6.103 8.899 ( 0.345 0.000 -3.006) 3.026 9.001 ( 1.387 0.000 0.905) 1.657 9.101 ( -7.196 0.000 2.187) 7.521 9.143 ( -3.415 0.000 -1.835) 3.876 9.574 ( 2.007 0.000 -1.667) 2.609 9.773 ( 2.046 0.000 -7.442) 7.719 9.882 ( 14.513 0.000 -4.074) 15.074 9.903 ( -0.256 0.000 -10.658) 10.661 10.034 ( 4.760 0.000 -2.507) 5.380 10.267 ( -3.795 0.000 -3.387) 5.086 10.452 ( -9.190 0.000 -6.256) 11.117 10.507 ( -2.173 0.000 2.339) 3.192 10.629 ( 0.170 0.000 -0.348) 0.387 10.736 ( -2.642 0.000 4.248) 5.003 11.032 ( 2.782 0.000 7.427) 7.931 11.053 ( 4.376 0.000 3.593) 5.662 11.287 ( 6.756 0.000 0.705) 6.792 11.499 ( 1.328 0.000 -1.845) 2.273 12.132 ( -5.142 0.000 -0.518) 5.168 12.295 ( -4.913 0.000 -4.002) 6.337 12.374 ( 0.491 0.000 1.037) 1.147 12.763 ( -1.808 0.000 1.982) 2.683 13.407 ( -6.514 0.000 12.073) 13.718 14.083 ( 8.335 0.000 -9.015) 12.278 14.306 ( 1.168 0.000 -4.020) 4.186 14.353 ( 1.469 0.000 -0.473) 1.543 19.496 ( -3.827 0.000 4.194) 5.678 19.537 ( -2.783 0.000 3.922) 4.809 19.617 ( -0.403 0.000 7.558) 7.569 19.746 ( 2.892 0.000 14.943) 15.220 20.694 ( -2.884 0.000 3.463) 4.506 20.856 ( -0.626 0.000 3.915) 3.965 21.395 ( 5.884 0.000 -5.271) 7.900 21.593 ( -7.871 0.000 -5.459) 9.578 21.963 ( 0.135 0.000 -0.237) 0.273 22.329 ( -2.697 0.000 -0.218) 2.706 22.817 ( -0.359 0.000 1.048) 1.108 23.249 ( -3.613 0.000 -3.777) 5.226 23.625 ( 0.981 0.000 -1.529) 1.817 23.679 ( 7.178 0.000 -4.436) 8.438 23.741 ( -0.719 0.000 1.845) 1.980 24.115 ( 1.046 0.000 -2.853) 3.038 ======================= Grid point 38 (16/72) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( -29.341 0.000 -8.418) 30.525 1.244 ( -27.972 0.000 1.374) 28.006 1.730 ( -1.366 0.000 8.006) 8.122 1.838 ( -1.041 0.000 5.861) 5.953 1.963 ( 10.737 0.000 6.348) 12.473 1.997 ( -24.885 0.000 20.408) 32.183 2.106 ( 12.147 0.000 8.947) 15.087 2.403 ( -0.273 0.000 -0.265) 0.380 2.601 ( -3.936 0.000 -3.240) 5.098 2.659 ( -1.756 0.000 -1.777) 2.498 2.816 ( -8.599 0.000 -14.627) 16.968 2.894 ( -2.820 0.000 -3.623) 4.591 3.034 ( -3.938 0.000 0.434) 3.962 3.129 ( -0.188 0.000 0.304) 0.357 3.145 ( -2.223 0.000 -5.721) 6.138 3.273 ( 0.818 0.000 -5.010) 5.076 3.470 ( 9.560 0.000 7.959) 12.439 3.636 ( 1.812 0.000 1.832) 2.577 3.774 ( 2.972 0.000 -6.224) 6.897 3.844 ( 4.543 0.000 2.634) 5.251 3.930 ( 10.540 0.000 -2.944) 10.944 4.014 ( -6.454 0.000 7.956) 10.245 4.163 ( 9.862 0.000 -2.952) 10.294 4.192 ( -3.078 0.000 0.429) 3.108 4.331 ( -5.110 0.000 2.555) 5.713 4.543 ( 8.668 0.000 9.627) 12.955 4.580 ( 2.036 0.000 6.086) 6.417 4.822 ( 1.040 0.000 -4.688) 4.802 4.912 ( -2.001 0.000 -0.452) 2.051 4.983 ( 14.882 0.000 7.438) 16.637 5.093 ( 3.093 0.000 4.887) 5.783 5.295 ( -3.387 0.000 2.051) 3.960 5.454 ( 3.537 0.000 5.304) 6.375 5.467 ( -2.002 0.000 -5.144) 5.520 5.847 ( -3.817 0.000 -3.772) 5.367 6.022 ( 1.370 0.000 0.078) 1.372 6.119 ( -5.015 0.000 2.472) 5.591 6.257 ( 1.057 0.000 0.485) 1.163 6.281 ( -0.813 0.000 -18.300) 18.318 6.460 ( 2.669 0.000 -9.974) 10.325 6.511 ( -4.478 0.000 -6.059) 7.534 6.593 ( -7.433 0.000 1.137) 7.520 6.680 ( 2.890 0.000 -6.895) 7.477 6.924 ( 3.625 0.000 -2.270) 4.277 6.975 ( -2.420 0.000 7.778) 8.146 7.030 ( 4.650 0.000 8.721) 9.883 7.151 ( -3.371 0.000 -8.211) 8.875 7.214 ( -8.237 0.000 -2.813) 8.704 8.094 ( -1.914 0.000 9.132) 9.330 8.238 ( -0.341 0.000 -1.602) 1.638 8.270 ( 3.776 0.000 0.722) 3.844 8.422 ( -0.091 0.000 1.556) 1.559 8.722 ( 13.451 0.000 11.028) 17.394 8.770 ( 0.673 0.000 2.549) 2.636 8.909 ( 1.941 0.000 -3.040) 3.607 8.948 ( -4.355 0.000 -2.969) 5.271 9.044 ( -2.762 0.000 -2.782) 3.921 9.049 ( -0.600 0.000 1.393) 1.516 9.537 ( -2.928 0.000 -2.855) 4.089 9.758 ( 0.953 0.000 -8.932) 8.982 9.801 ( -1.079 0.000 -11.885) 11.934 10.092 ( 1.741 0.000 -1.517) 2.310 10.133 ( 5.242 0.000 -13.484) 14.467 10.197 ( -5.456 0.000 6.900) 8.797 10.334 ( -9.543 0.000 1.709) 9.694 10.365 ( 12.123 0.000 -1.346) 12.197 10.711 ( -0.995 0.000 -0.225) 1.021 10.733 ( 6.034 0.000 0.473) 6.053 11.173 ( 2.989 0.000 8.174) 8.704 11.301 ( 12.099 0.000 17.600) 21.358 11.344 ( -2.526 0.000 1.108) 2.758 11.432 ( -5.174 0.000 -2.841) 5.903 12.018 ( -4.160 0.000 -3.470) 5.417 12.092 ( -8.636 0.000 -7.472) 11.420 12.368 ( -0.757 0.000 -0.047) 0.759 12.784 ( 1.487 0.000 -2.133) 2.600 13.375 ( -3.663 0.000 12.226) 12.763 14.129 ( 1.430 0.000 -9.318) 9.427 14.292 ( -0.194 0.000 -3.051) 3.057 14.376 ( 0.961 0.000 -1.009) 1.394 19.466 ( -1.406 0.000 2.821) 3.152 19.494 ( -2.941 0.000 3.096) 4.270 19.657 ( -1.177 0.000 8.183) 8.267 19.974 ( 7.444 0.000 26.931) 27.941 20.675 ( -0.722 0.000 2.919) 3.007 20.855 ( -1.847 0.000 3.862) 4.281 21.410 ( -5.575 0.000 -3.674) 6.677 21.466 ( 4.643 0.000 -13.989) 14.740 21.967 ( 0.344 0.000 -0.123) 0.365 22.234 ( -5.405 0.000 -2.240) 5.851 22.834 ( 0.872 0.000 1.715) 1.924 23.162 ( -2.115 0.000 -5.972) 6.335 23.630 ( 0.484 0.000 -1.819) 1.882 23.728 ( -1.540 0.000 1.804) 2.372 23.789 ( 5.477 0.000 -2.006) 5.833 24.104 ( -0.056 0.000 -2.990) 2.991 ======================= Grid point 39 (17/72) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( -20.507 0.000 11.058) 23.298 0.724 ( -22.988 0.000 14.298) 27.072 1.423 ( -36.115 0.000 39.484) 53.510 1.734 ( -0.217 0.000 9.235) 9.237 1.841 ( -2.434 0.000 7.809) 8.180 2.355 ( 6.032 0.000 4.530) 7.544 2.404 ( 14.593 0.000 0.811) 14.616 2.488 ( 10.443 0.000 -3.850) 11.130 2.563 ( 2.000 0.000 4.799) 5.199 2.588 ( -1.117 0.000 -4.966) 5.090 2.670 ( 0.759 0.000 -2.902) 3.000 2.914 ( 4.902 0.000 -1.952) 5.277 2.992 ( -2.729 0.000 6.003) 6.594 3.086 ( -1.551 0.000 -4.039) 4.327 3.099 ( 1.736 0.000 -6.132) 6.373 3.225 ( -3.035 0.000 -4.698) 5.593 3.570 ( -7.660 0.000 4.175) 8.724 3.651 ( 3.941 0.000 0.390) 3.960 3.824 ( 5.152 0.000 -10.470) 11.669 3.911 ( -8.837 0.000 11.635) 14.611 3.914 ( 3.804 0.000 -3.252) 5.004 4.072 ( 5.843 0.000 -1.135) 5.952 4.157 ( -0.119 0.000 -0.801) 0.810 4.249 ( -3.712 0.000 4.663) 5.960 4.376 ( 4.535 0.000 -9.351) 10.393 4.518 ( -2.655 0.000 -1.578) 3.088 4.684 ( 1.930 0.000 4.520) 4.914 4.894 ( 0.941 0.000 -4.275) 4.377 4.981 ( 7.050 0.000 7.265) 10.124 5.154 ( -2.326 0.000 -0.690) 2.426 5.227 ( 3.032 0.000 6.782) 7.429 5.263 ( 0.797 0.000 7.059) 7.104 5.447 ( 2.308 0.000 0.809) 2.445 5.630 ( 7.618 0.000 3.237) 8.277 5.794 ( 3.080 0.000 -3.218) 4.454 5.928 ( -9.308 0.000 -11.106) 14.491 6.065 ( 1.765 0.000 1.363) 2.231 6.168 ( -0.170 0.000 1.766) 1.774 6.170 ( -8.687 0.000 -5.701) 10.390 6.282 ( -12.855 0.000 -9.990) 16.280 6.451 ( -5.522 0.000 4.193) 6.934 6.531 ( 8.284 0.000 -3.338) 8.932 6.751 ( 6.922 0.000 -4.959) 8.515 6.886 ( -2.544 0.000 -7.816) 8.220 6.951 ( -3.702 0.000 3.855) 5.345 7.010 ( -9.396 0.000 -1.229) 9.476 7.085 ( 2.506 0.000 0.338) 2.529 7.135 ( -0.664 0.000 7.383) 7.412 8.042 ( -5.725 0.000 6.462) 8.633 8.260 ( 2.796 0.000 -0.902) 2.938 8.436 ( 0.169 0.000 1.617) 1.626 8.465 ( 11.404 0.000 0.026) 11.404 8.776 ( -9.421 0.000 -8.763) 12.867 8.797 ( -1.613 0.000 5.167) 5.413 8.941 ( 4.742 0.000 -2.273) 5.259 8.990 ( -6.442 0.000 0.124) 6.443 9.066 ( 6.573 0.000 -5.298) 8.442 9.113 ( 13.030 0.000 4.809) 13.889 9.417 ( -6.902 0.000 -2.322) 7.282 9.652 ( 0.858 0.000 -10.859) 10.893 9.851 ( 8.844 0.000 -0.359) 8.851 9.992 ( -4.649 0.000 -7.352) 8.698 10.086 ( -1.400 0.000 -1.165) 1.822 10.202 ( -4.178 0.000 3.850) 5.682 10.281 ( 5.763 0.000 2.631) 6.335 10.630 ( 6.161 0.000 3.262) 6.972 10.724 ( 6.827 0.000 -7.486) 10.132 10.878 ( 7.430 0.000 -0.159) 7.432 11.208 ( -8.819 0.000 -1.668) 8.976 11.253 ( -2.482 0.000 8.046) 8.420 11.259 ( -7.011 0.000 3.072) 7.654 11.757 ( 10.475 0.000 9.637) 14.233 11.934 ( 6.391 0.000 8.721) 10.812 11.951 ( 0.985 0.000 -1.264) 1.603 12.354 ( -0.844 0.000 0.717) 1.108 12.729 ( -3.171 0.000 -10.876) 11.329 13.418 ( -1.281 0.000 15.156) 15.210 13.968 ( -11.494 0.000 -16.227) 19.886 14.271 ( 0.132 0.000 -2.073) 2.077 14.373 ( -0.308 0.000 -2.025) 2.048 19.466 ( -1.565 0.000 3.378) 3.723 19.474 ( -0.039 0.000 4.493) 4.493 19.669 ( -2.506 0.000 7.216) 7.639 20.562 ( 30.095 0.000 40.894) 50.774 20.702 ( 1.030 0.000 3.845) 3.980 20.833 ( -2.673 0.000 4.239) 5.012 21.256 ( -6.989 0.000 -19.237) 20.467 21.355 ( -3.708 0.000 -9.944) 10.613 21.972 ( 0.214 0.000 -0.300) 0.369 22.114 ( -4.070 0.000 1.422) 4.311 22.863 ( 0.519 0.000 1.584) 1.667 23.062 ( -3.736 0.000 -5.970) 7.043 23.619 ( -0.109 0.000 -2.672) 2.675 23.713 ( -0.974 0.000 2.570) 2.749 23.854 ( 1.307 0.000 -5.923) 6.066 24.085 ( 0.114 0.000 -2.391) 2.394 ======================= Grid point 40 (18/72) ======================= q-point: ( 0.00 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( -2.394 9.375 21.182) 23.288 0.852 ( -4.483 16.885 22.252) 28.291 1.565 ( -0.087 25.780 33.476) 42.252 1.768 ( 0.574 0.629 15.222) 15.245 2.027 ( -2.974 8.909 12.915) 15.969 2.501 ( 1.505 1.684 0.059) 2.260 2.558 ( -2.345 3.383 0.370) 4.133 2.609 ( 0.878 -0.148 -2.880) 3.015 2.683 ( 7.743 3.196 5.724) 10.145 2.700 ( 5.526 -9.413 -4.618) 11.852 2.788 ( 6.240 0.345 0.264) 6.255 2.838 ( -9.524 -0.833 3.831) 10.299 2.968 ( 0.682 -0.078 -2.743) 2.828 3.025 ( 4.902 3.036 -2.798) 6.409 3.113 ( -0.710 -2.250 -1.175) 2.636 3.230 ( 3.752 5.988 -3.556) 7.911 3.412 ( -4.650 -4.872 0.768) 6.779 3.657 ( -1.919 1.899 -4.432) 5.190 3.734 ( -9.585 -1.124 4.032) 10.459 3.847 ( 1.092 -2.943 -1.688) 3.565 3.946 ( -0.093 0.915 -1.288) 1.583 4.071 ( 0.155 -5.873 2.412) 6.351 4.227 ( 4.886 -1.388 -3.173) 5.989 4.335 ( 1.808 13.790 -10.007) 17.134 4.459 ( -3.305 10.007 -7.171) 12.747 4.594 ( 2.254 -2.299 3.358) 4.652 4.711 ( -7.929 -9.473 -4.354) 13.098 4.883 ( -3.400 -10.987 -0.441) 11.510 4.937 ( 4.492 0.585 -1.162) 4.677 5.081 ( 7.435 3.228 5.710) 9.914 5.156 ( -10.797 -0.755 -2.003) 11.007 5.275 ( 2.663 2.806 2.587) 4.654 5.478 ( -2.949 3.900 -0.410) 4.907 5.558 ( 1.877 -4.778 -3.359) 6.135 5.728 ( -4.864 -1.765 -8.660) 10.088 5.903 ( 4.676 0.359 3.185) 5.669 5.972 ( -0.117 -0.670 1.296) 1.464 6.100 ( -1.221 6.667 -2.906) 7.374 6.144 ( 2.994 2.441 -0.001) 3.863 6.329 ( 0.309 -6.366 5.434) 8.376 6.517 ( 3.699 -6.772 1.117) 7.797 6.653 ( 8.093 -7.006 0.815) 10.735 6.760 ( 6.009 -0.148 -1.469) 6.188 6.822 ( -5.919 4.117 -8.087) 10.835 6.977 ( 3.192 1.744 3.120) 4.792 7.022 ( 3.701 4.865 0.829) 6.169 7.150 ( -0.170 1.845 3.340) 3.820 7.183 ( -3.138 5.116 2.217) 6.398 7.974 ( -2.466 0.348 3.870) 4.602 8.334 ( -4.169 0.023 2.145) 4.689 8.353 ( 1.144 3.161 0.933) 3.489 8.539 ( -5.251 5.961 -11.415) 13.907 8.649 ( 5.860 -6.006 1.775) 8.577 8.774 ( -8.264 -0.901 4.917) 9.658 8.898 ( 1.201 3.314 5.043) 6.153 9.030 ( 1.232 -1.701 -3.453) 4.042 9.102 ( 4.876 -3.769 -1.334) 6.305 9.263 ( 2.373 0.719 -5.857) 6.360 9.357 ( -0.137 4.342 0.540) 4.377 9.685 ( -3.883 -3.286 -7.334) 8.925 9.809 ( 2.968 -0.492 -5.670) 6.419 9.965 ( 0.548 -4.193 -4.391) 6.096 10.074 ( 0.341 0.618 3.070) 3.150 10.200 ( 4.621 -1.286 1.096) 4.920 10.351 ( 4.062 -3.527 0.335) 5.390 10.635 ( -5.341 -7.599 5.928) 11.018 10.665 ( 0.785 -18.332 7.539) 19.837 10.785 ( 12.804 -3.683 -6.675) 14.902 11.024 ( -11.530 -6.126 -2.222) 13.244 11.052 ( -10.643 -8.799 2.448) 14.025 11.194 ( -0.469 3.497 -6.419) 7.325 11.495 ( -5.837 -2.809 -5.398) 8.432 12.232 ( 5.215 10.456 7.433) 13.848 12.291 ( -1.325 7.512 6.973) 10.335 12.469 ( 1.401 13.340 -3.219) 13.794 13.070 ( 14.660 -1.493 -9.483) 17.524 13.392 ( -7.315 1.669 4.519) 8.759 13.616 ( -3.062 0.219 5.206) 6.044 14.269 ( 1.330 -1.114 -2.593) 3.120 14.386 ( 2.378 1.900 -2.736) 4.092 19.458 ( -0.067 -0.864 4.673) 4.753 19.561 ( 0.973 1.956 6.395) 6.758 19.664 ( -2.478 1.628 5.864) 6.571 20.002 ( -28.176 -12.650 11.237) 32.866 20.732 ( -0.919 -3.869 6.424) 7.555 20.818 ( -0.343 3.413 2.299) 4.130 21.110 ( 5.751 -17.460 8.711) 20.342 21.340 ( 9.169 -4.411 4.117) 10.976 22.017 ( -0.527 -0.266 -1.077) 1.228 22.738 ( -3.662 -5.409 -2.047) 6.845 22.794 ( 6.124 12.038 -17.402) 22.028 23.070 ( 8.900 -1.697 -2.081) 9.297 23.520 ( -3.618 -4.785 1.732) 6.244 23.727 ( 6.756 4.688 -5.245) 9.753 23.861 ( -7.506 6.870 -0.101) 10.176 24.136 ( 1.794 6.173 -3.537) 7.337 ======================= Grid point 41 (19/72) ======================= q-point: ( 0.20 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 7.142 -1.315 23.545) 24.640 1.067 ( 12.170 6.873 20.184) 24.551 1.726 ( 1.789 6.281 8.216) 10.496 1.940 ( -6.249 2.400 7.560) 10.098 2.170 ( 5.304 7.156 23.464) 25.097 2.387 ( -6.687 10.647 13.115) 18.168 2.446 ( -11.530 1.133 3.054) 11.982 2.563 ( -10.355 -7.162 -4.227) 13.281 2.614 ( -0.333 0.959 -0.884) 1.346 2.691 ( 1.257 1.385 4.283) 4.674 2.891 ( 4.480 1.350 -1.915) 5.056 2.924 ( 6.459 -7.209 7.906) 12.498 3.036 ( 4.003 -7.172 -6.208) 10.296 3.107 ( 2.917 -3.801 -6.663) 8.206 3.132 ( -0.152 1.439 -2.813) 3.163 3.290 ( 2.812 3.056 1.723) 4.496 3.425 ( 4.059 4.921 5.928) 8.708 3.521 ( -3.695 -4.577 -3.412) 6.800 3.553 ( -6.175 4.535 -2.335) 8.009 3.828 ( -2.488 -6.918 4.678) 8.713 3.956 ( -6.865 -4.780 0.864) 8.410 4.128 ( 7.382 7.155 -1.346) 10.368 4.173 ( -11.230 -4.576 -2.546) 12.391 4.293 ( 0.532 9.817 -8.456) 12.967 4.397 ( 2.165 5.518 -2.342) 6.373 4.511 ( -2.435 9.334 -1.074) 9.706 4.598 ( -2.681 4.750 0.377) 5.467 4.735 ( -5.244 -7.003 -1.960) 8.966 4.861 ( -10.819 0.359 -3.187) 11.284 4.998 ( 1.413 -4.971 0.579) 5.200 5.164 ( -3.452 6.128 -1.618) 7.217 5.394 ( -1.497 3.808 -3.546) 5.414 5.532 ( -3.873 -0.508 -2.780) 4.794 5.552 ( -1.941 -3.513 3.498) 5.324 5.585 ( 13.495 -2.450 -6.746) 15.285 5.936 ( 3.391 1.970 -1.453) 4.182 6.047 ( 3.439 3.081 4.336) 6.333 6.210 ( 3.747 4.673 -2.748) 6.590 6.241 ( 7.079 -1.385 -1.607) 7.390 6.410 ( 0.735 -7.654 0.499) 7.705 6.555 ( 8.135 -3.820 1.773) 9.161 6.669 ( 0.120 -6.724 -1.760) 6.951 6.715 ( 2.178 1.933 -8.787) 9.257 6.900 ( -3.822 3.835 -3.237) 6.308 6.937 ( 0.096 -3.334 -1.232) 3.556 7.036 ( -6.130 5.946 1.160) 8.619 7.184 ( 1.880 0.363 -0.135) 1.919 7.234 ( 4.246 -0.897 5.009) 6.627 7.974 ( 0.086 3.137 3.593) 4.771 8.289 ( -0.008 0.624 1.075) 1.243 8.337 ( -2.796 -1.594 1.002) 3.371 8.441 ( -0.665 2.388 -1.282) 2.791 8.598 ( -10.618 2.447 5.172) 12.062 8.787 ( 3.096 -5.358 2.841) 6.809 8.913 ( -3.526 -0.953 -0.006) 3.652 9.008 ( 1.407 -0.632 1.706) 2.300 9.178 ( 0.719 0.053 -1.829) 1.966 9.260 ( -3.018 0.705 0.770) 3.193 9.383 ( 6.649 -0.078 -6.140) 9.051 9.556 ( -2.323 -13.067 -5.270) 14.280 9.879 ( 5.254 2.635 -7.405) 9.454 9.918 ( 0.208 -1.944 -0.591) 2.042 10.083 ( 0.802 6.713 -2.753) 7.300 10.300 ( 0.512 -6.574 -6.637) 9.356 10.399 ( 3.293 1.363 7.593) 8.388 10.507 ( -6.305 -12.334 3.008) 14.175 10.697 ( -11.139 -5.337 -2.541) 12.610 10.830 ( 3.886 -8.506 4.532) 10.392 10.884 ( -4.978 -0.817 3.201) 5.974 10.987 ( 3.125 -3.427 -7.088) 8.470 11.064 ( -0.238 -2.125 -3.022) 3.702 11.475 ( 4.297 0.607 -1.799) 4.698 12.315 ( -0.942 8.164 2.865) 8.703 12.357 ( 1.554 8.953 7.259) 11.630 12.481 ( 1.939 12.682 -1.605) 12.929 12.903 ( -10.796 -1.609 -2.002) 11.098 13.497 ( -1.632 4.060 9.706) 10.646 13.785 ( 15.089 -7.430 -5.952) 17.841 14.290 ( 1.762 -1.521 -2.157) 3.173 14.402 ( 1.561 4.330 -4.942) 6.753 19.495 ( -0.184 -1.390 6.188) 6.345 19.604 ( -5.402 -1.589 6.591) 8.669 19.661 ( -3.372 5.896 10.401) 12.423 19.664 ( -4.060 1.957 5.353) 6.998 20.718 ( -3.210 -2.045 4.773) 6.105 20.845 ( 0.317 1.565 3.799) 4.121 21.189 ( 2.166 -13.086 -0.347) 13.268 21.514 ( 2.550 -13.320 0.883) 13.591 21.986 ( -1.454 0.880 -0.431) 1.754 22.608 ( -3.594 12.413 -5.236) 13.944 22.775 ( -0.710 -5.136 -2.025) 5.566 23.193 ( 3.085 -12.151 -5.219) 13.580 23.436 ( -3.133 -0.053 0.908) 3.262 23.705 ( -1.339 -0.924 -1.108) 1.968 23.902 ( 5.547 13.282 -2.859) 14.675 24.160 ( 2.061 5.644 -2.863) 6.656 ======================= Grid point 42 (20/72) ======================= q-point: ( 0.40 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 17.384 -11.516 14.011) 25.122 1.402 ( 3.346 -0.119 12.703) 13.137 1.661 ( -14.700 -3.865 2.988) 15.490 1.857 ( -4.887 5.309 4.501) 8.504 2.027 ( -9.209 6.292 -0.162) 11.154 2.125 ( -8.020 10.006 3.230) 13.224 2.358 ( -6.439 -8.838 0.432) 10.944 2.614 ( -0.073 -1.821 -1.145) 2.152 2.625 ( -3.975 18.048 6.754) 19.676 2.853 ( 4.856 -1.068 0.724) 5.025 2.870 ( -3.981 -7.601 4.353) 9.621 2.933 ( -1.484 0.970 0.115) 1.777 3.072 ( -0.600 -0.230 1.392) 1.533 3.125 ( 1.887 -9.334 -5.829) 11.165 3.158 ( 2.626 0.531 3.625) 4.508 3.355 ( 0.149 5.141 3.668) 6.317 3.415 ( 3.056 -6.365 -6.116) 9.341 3.459 ( -1.346 1.608 -4.353) 4.831 3.566 ( -9.849 2.133 1.910) 10.257 3.713 ( 4.470 2.634 6.592) 8.389 3.830 ( -1.230 -8.331 7.666) 11.388 3.976 ( -5.682 -3.537 0.227) 6.697 4.239 ( -0.708 8.242 -9.270) 12.424 4.319 ( 7.570 8.234 -3.173) 11.626 4.404 ( -1.280 4.325 -2.870) 5.346 4.533 ( 0.413 9.028 4.334) 10.023 4.632 ( -0.076 -1.142 3.575) 3.753 4.645 ( 3.460 6.318 6.739) 9.865 4.762 ( 2.415 -0.548 -1.646) 2.974 4.988 ( -2.890 0.419 0.385) 2.945 5.094 ( -0.318 5.554 1.516) 5.765 5.329 ( 0.846 4.796 -3.738) 6.139 5.461 ( -4.629 -1.296 0.284) 4.815 5.516 ( 0.376 -2.735 -3.051) 4.115 5.782 ( 5.699 -8.312 -1.190) 10.148 5.984 ( -0.996 -1.203 2.540) 2.982 6.119 ( 2.604 1.377 -4.768) 5.604 6.236 ( 1.005 -7.032 -11.360) 13.398 6.266 ( 1.819 4.313 -0.179) 4.685 6.517 ( 5.575 -0.067 -0.728) 5.622 6.597 ( -2.169 -5.317 -1.780) 6.012 6.690 ( -0.802 0.223 -12.671) 12.698 6.744 ( -1.165 -0.346 0.531) 1.327 6.853 ( 5.018 2.851 -0.295) 5.779 6.898 ( 2.663 4.266 -0.166) 5.032 6.980 ( -2.473 1.524 7.313) 7.869 7.210 ( 1.105 -0.198 -2.161) 2.435 7.279 ( -2.024 -5.514 1.030) 5.963 8.026 ( 2.094 2.999 5.367) 6.495 8.287 ( -2.569 -0.511 0.832) 2.748 8.292 ( -1.698 -2.245 2.439) 3.724 8.430 ( -6.820 2.094 2.931) 7.713 8.485 ( 4.777 1.378 5.148) 7.157 8.779 ( -2.998 -0.631 2.088) 3.708 8.863 ( -0.148 -2.311 -1.722) 2.885 9.034 ( -1.666 0.284 0.844) 1.889 9.131 ( -3.264 -0.098 -3.904) 5.090 9.164 ( -4.023 3.975 -0.009) 5.655 9.488 ( 1.910 -7.908 -0.323) 8.142 9.573 ( 9.168 -12.117 -7.677) 17.024 9.875 ( 0.536 -3.621 -8.299) 9.070 9.978 ( 2.308 -1.502 0.951) 2.914 10.095 ( 3.047 7.931 -5.550) 10.148 10.207 ( -1.179 -5.321 -5.004) 7.399 10.373 ( -5.148 -5.079 -6.323) 9.606 10.514 ( -3.934 -0.907 2.004) 4.507 10.575 ( 2.736 -7.064 5.410) 9.309 10.787 ( -7.844 2.491 -2.127) 8.501 10.853 ( 0.265 -8.401 1.154) 8.484 10.994 ( 6.719 -3.060 10.662) 12.969 11.250 ( 9.241 -2.819 -1.424) 9.765 11.534 ( 0.308 -0.928 1.162) 1.518 12.204 ( -7.306 6.191 -6.394) 11.515 12.406 ( -1.104 11.054 3.015) 11.511 12.515 ( 1.274 10.961 -0.603) 11.051 12.760 ( -2.101 -0.196 0.043) 2.110 13.488 ( -4.092 7.548 9.169) 12.561 13.996 ( 7.773 -6.472 -3.896) 10.839 14.302 ( 0.975 -1.104 -3.027) 3.366 14.400 ( 1.357 3.408 -4.275) 5.633 19.491 ( -3.767 -0.377 4.626) 5.978 19.542 ( -2.018 -0.086 4.947) 5.344 19.633 ( -1.797 2.002 6.278) 6.831 19.770 ( 2.244 2.373 13.715) 14.099 20.679 ( -2.694 -1.432 3.340) 4.523 20.869 ( -0.584 1.127 3.890) 4.092 21.217 ( 0.846 -15.246 -1.967) 15.396 21.490 ( -2.070 -7.176 -4.981) 8.977 21.967 ( -0.367 1.319 0.902) 1.639 22.535 ( -0.864 14.590 -4.409) 15.266 22.758 ( -0.222 -6.712 0.328) 6.724 23.166 ( -1.271 -8.872 -4.030) 9.827 23.430 ( 1.257 -4.286 0.561) 4.502 23.686 ( -0.504 -2.609 -0.617) 2.728 23.977 ( 3.553 13.818 -2.552) 14.494 24.172 ( 0.850 5.168 -2.937) 6.005 ======================= Grid point 43 (21/72) ======================= q-point: (-0.40 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -27.618 -7.856 2.031) 28.785 1.389 ( -24.648 8.692 3.592) 26.381 1.617 ( 4.948 -7.320 2.721) 9.245 1.883 ( 16.436 1.412 8.524) 18.569 2.020 ( -0.518 8.413 4.524) 9.566 2.206 ( -0.964 10.467 5.904) 12.055 2.299 ( 0.632 -6.413 0.923) 6.510 2.330 ( -17.390 23.490 10.317) 30.994 2.610 ( -0.395 -2.000 -3.034) 3.655 2.690 ( -3.502 0.876 1.123) 3.781 2.807 ( -5.979 2.785 -2.275) 6.977 3.009 ( -0.658 -0.256 -3.146) 3.224 3.029 ( -2.544 0.129 -7.419) 7.844 3.095 ( -3.173 5.988 -7.322) 9.976 3.145 ( 0.988 -5.122 0.035) 5.216 3.187 ( -1.756 0.590 -4.035) 4.440 3.504 ( 7.873 -4.313 0.110) 8.977 3.525 ( 6.860 -6.258 1.527) 9.411 3.713 ( -0.083 -1.939 5.358) 5.699 3.865 ( -4.082 -10.344 11.553) 16.036 3.895 ( -0.152 0.142 -1.612) 1.626 3.910 ( 12.041 -0.368 6.377) 13.630 4.141 ( -1.903 -0.600 -4.065) 4.529 4.376 ( 0.084 6.904 -3.648) 7.809 4.397 ( 3.276 11.990 -0.918) 12.464 4.599 ( 5.575 3.146 1.580) 6.594 4.679 ( 0.254 5.309 3.429) 6.325 4.812 ( 3.760 0.874 7.346) 8.299 4.850 ( 4.834 -5.130 -1.883) 7.296 4.972 ( 2.778 4.793 7.594) 9.400 5.160 ( 2.139 2.654 -1.123) 3.589 5.278 ( -5.970 0.003 0.331) 5.980 5.432 ( 3.455 -1.636 0.173) 3.827 5.516 ( 1.583 2.684 0.834) 3.226 5.805 ( -1.789 -4.131 -4.224) 6.173 5.969 ( 0.814 -4.699 0.539) 4.800 6.082 ( -4.757 -3.295 0.044) 5.787 6.157 ( -0.497 -8.175 -13.512) 15.800 6.294 ( -1.128 1.529 -0.153) 1.907 6.471 ( -6.073 -1.188 -7.320) 9.585 6.520 ( -1.470 -0.593 -6.234) 6.432 6.581 ( -4.419 1.109 2.304) 5.105 6.724 ( 3.118 3.602 -8.658) 9.882 6.935 ( 0.655 1.331 0.014) 1.484 6.986 ( -1.583 0.249 3.776) 4.102 7.052 ( 6.652 2.110 9.050) 11.428 7.169 ( -3.102 0.859 -4.514) 5.544 7.210 ( -3.062 0.938 -2.339) 3.966 8.092 ( -2.731 -0.017 7.136) 7.641 8.233 ( 0.982 0.621 1.127) 1.619 8.306 ( 2.277 3.101 0.707) 3.911 8.375 ( -0.713 -2.690 1.467) 3.146 8.721 ( 10.649 -1.005 9.231) 14.129 8.774 ( 2.568 0.877 4.270) 5.059 8.854 ( 0.128 -2.820 -1.669) 3.279 8.974 ( -2.992 1.241 -1.816) 3.713 9.033 ( -1.860 -0.414 -3.695) 4.158 9.096 ( -2.111 1.847 -3.531) 4.509 9.500 ( 0.059 -3.515 -2.925) 4.573 9.699 ( 6.226 -6.770 -6.337) 11.169 9.804 ( -1.423 1.008 -11.279) 11.413 9.954 ( -1.987 -10.363 3.365) 11.075 10.098 ( -5.301 -7.574 -3.288) 9.812 10.194 ( 2.053 3.567 -9.945) 10.762 10.368 ( 11.369 0.353 0.121) 11.375 10.448 ( -3.981 6.006 3.240) 7.901 10.578 ( -3.792 -11.449 1.599) 12.167 10.713 ( 1.538 -6.058 -2.805) 6.851 10.883 ( -0.050 -9.518 7.314) 12.004 11.274 ( 10.794 -3.398 12.729) 17.032 11.361 ( 1.855 0.358 -0.010) 1.889 11.486 ( -5.771 -4.855 1.685) 7.728 12.002 ( -5.032 8.318 -8.806) 13.117 12.360 ( -3.700 17.067 0.173) 17.464 12.521 ( 0.069 12.045 -1.508) 12.140 12.766 ( 1.986 -1.777 -2.069) 3.373 13.469 ( -3.025 8.378 9.220) 12.820 14.055 ( -0.074 -6.035 -3.897) 7.184 14.292 ( 0.307 -0.450 -3.731) 3.770 14.395 ( 0.258 1.246 -3.570) 3.790 19.453 ( -2.099 -0.528 3.004) 3.703 19.524 ( -2.160 1.767 3.754) 4.678 19.653 ( -1.353 -0.016 8.140) 8.251 19.944 ( 3.915 -2.551 21.983) 22.474 20.660 ( -0.981 -1.462 2.710) 3.232 20.873 ( -1.377 1.637 4.136) 4.657 21.177 ( -3.432 -17.302 -3.624) 18.008 21.395 ( -2.851 -3.486 -8.466) 9.589 21.981 ( 1.057 1.120 0.998) 1.835 22.510 ( 2.278 18.448 -5.898) 19.501 22.769 ( 0.717 -7.105 0.995) 7.210 23.114 ( -0.835 -4.676 -5.197) 7.041 23.473 ( 1.887 -6.808 2.206) 7.401 23.664 ( -0.992 -2.486 -1.500) 3.068 24.023 ( 2.103 11.639 -1.815) 11.966 24.158 ( -0.018 5.219 -3.484) 6.275 ======================= Grid point 44 (22/72) ======================= q-point: (-0.20 0.14 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.688 ( -6.872 10.635 22.962) 26.222 0.899 ( -20.920 17.914 5.580) 28.101 1.714 ( 1.261 0.762 4.744) 4.967 1.722 ( -30.854 25.735 27.203) 48.521 2.005 ( -3.321 11.925 10.706) 16.366 2.292 ( 15.151 -6.387 1.116) 16.480 2.425 ( 10.337 -0.272 1.429) 10.439 2.512 ( 12.920 4.328 -1.033) 13.664 2.588 ( 0.115 1.240 -2.000) 2.356 2.659 ( -1.841 6.114 1.282) 6.513 2.695 ( -2.356 2.586 -2.971) 4.590 2.941 ( 3.940 3.401 -4.898) 7.147 2.960 ( -3.356 -2.008 0.109) 3.913 3.062 ( -2.055 -1.587 -3.041) 3.999 3.147 ( 0.309 -3.197 -4.460) 5.496 3.167 ( 3.096 2.747 -3.516) 5.431 3.527 ( -6.469 -5.141 3.234) 8.873 3.643 ( 4.270 -1.436 -1.402) 4.719 3.793 ( 5.272 -1.931 -2.385) 6.100 3.822 ( -4.319 -6.607 7.933) 11.192 3.937 ( 2.567 2.325 4.126) 5.387 4.081 ( 1.162 -7.527 0.046) 7.617 4.127 ( 2.295 2.050 -0.044) 3.077 4.347 ( 1.236 12.387 -6.270) 13.938 4.487 ( 3.099 2.694 1.326) 4.315 4.586 ( -2.448 9.127 -12.380) 15.575 4.771 ( 6.097 3.160 5.379) 8.723 4.872 ( 1.194 -1.767 -4.882) 5.328 4.965 ( -10.244 -9.209 -1.621) 13.869 4.997 ( 3.655 1.378 8.250) 9.128 5.156 ( 5.738 -1.968 6.545) 8.923 5.292 ( -0.749 -2.157 4.435) 4.988 5.477 ( 2.046 -0.108 2.426) 3.175 5.604 ( -0.307 -0.526 -0.158) 0.629 5.743 ( 2.457 -2.661 -2.700) 4.518 5.909 ( -5.183 -3.163 -10.350) 12.000 5.994 ( -3.369 -4.531 1.431) 5.825 6.137 ( 0.786 -3.921 2.067) 4.501 6.195 ( 3.151 0.698 2.506) 4.086 6.325 ( -8.500 0.686 -7.329) 11.245 6.393 ( -6.571 -2.795 2.010) 7.418 6.577 ( 3.393 1.973 -3.389) 5.186 6.753 ( 3.089 -0.619 -2.889) 4.274 6.888 ( -1.236 2.183 -6.942) 7.381 6.973 ( -1.967 3.087 4.051) 5.460 7.048 ( -5.968 3.566 -1.680) 7.152 7.150 ( -0.585 5.987 -1.824) 6.286 7.190 ( 0.876 4.714 6.581) 8.142 8.026 ( -5.143 -1.228 5.136) 7.371 8.298 ( 2.264 3.749 2.231) 4.915 8.372 ( -0.611 -2.864 2.481) 3.838 8.447 ( 9.044 -1.849 -0.987) 9.284 8.768 ( -1.214 -0.357 -5.545) 5.687 8.824 ( -3.564 1.158 2.005) 4.250 8.919 ( 1.030 -1.265 -2.677) 3.135 8.983 ( -2.404 -0.716 -1.662) 3.009 9.061 ( 3.343 -0.192 -4.081) 5.279 9.122 ( 12.848 0.459 7.966) 15.124 9.415 ( -4.381 0.260 -5.890) 7.345 9.724 ( 1.132 5.859 -6.965) 9.172 9.809 ( 8.442 -4.822 -2.900) 10.145 9.923 ( -3.337 -5.767 -9.739) 11.800 10.014 ( 0.317 -9.128 10.771) 14.122 10.176 ( 0.486 1.589 -3.557) 3.926 10.347 ( -4.827 0.292 -1.149) 4.971 10.582 ( 7.613 -4.258 -3.118) 9.263 10.595 ( 1.874 -4.321 4.196) 6.309 10.712 ( -0.152 -19.481 0.939) 19.504 10.995 ( 5.033 -5.879 9.063) 11.918 11.271 ( -8.698 2.761 1.735) 9.289 11.329 ( -7.044 -6.686 -5.776) 11.300 11.558 ( 4.850 -7.476 4.082) 9.802 11.996 ( 8.420 9.253 5.164) 13.534 12.288 ( -2.467 18.844 1.741) 19.084 12.495 ( -1.349 10.706 -2.763) 11.139 12.807 ( 6.511 4.670 -7.297) 10.838 13.484 ( -2.432 4.959 10.517) 11.880 13.898 ( -12.575 -5.805 -8.360) 16.177 14.274 ( 0.576 -0.060 -4.276) 4.315 14.369 ( -0.202 -0.480 -1.569) 1.653 19.442 ( -0.964 -0.728 3.455) 3.661 19.519 ( -0.563 2.427 4.423) 5.077 19.669 ( -2.102 0.191 7.516) 7.806 20.227 ( 2.720 -23.547 29.871) 38.133 20.669 ( 0.083 -2.199 3.656) 4.267 20.871 ( -1.804 3.907 2.904) 5.191 20.998 ( -9.139 -11.171 -2.055) 14.578 21.285 ( -1.279 0.225 -5.941) 6.082 22.013 ( 1.205 0.060 -0.117) 1.213 22.601 ( 12.233 20.459 -9.186) 25.546 22.789 ( 0.984 -4.618 -1.547) 4.969 23.052 ( -1.885 -0.748 -5.122) 5.509 23.529 ( 1.000 -7.261 3.558) 8.147 23.643 ( 1.383 0.567 -2.620) 3.016 24.015 ( -2.590 5.692 -2.806) 6.854 24.138 ( 0.646 6.481 -4.143) 7.719 ======================= Grid point 45 (23/72) ======================= q-point: ( 0.00 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( -1.529 20.198 0.211) 20.257 1.242 ( -6.970 22.093 10.994) 25.643 1.796 ( -0.847 5.567 1.519) 5.833 2.051 ( -1.246 15.137 24.511) 28.835 2.194 ( -5.698 8.416 6.093) 11.850 2.257 ( 10.953 -19.626 -5.819) 23.216 2.460 ( -1.943 -13.495 -1.389) 13.704 2.621 ( 0.853 0.994 -2.992) 3.266 2.669 ( -5.998 4.349 -2.976) 7.984 2.760 ( -2.224 0.675 3.571) 4.261 2.854 ( 2.893 3.334 -0.241) 4.421 2.919 ( 4.392 12.392 5.850) 14.390 3.007 ( -4.006 -2.364 -1.688) 4.948 3.038 ( 0.758 4.585 -3.029) 5.548 3.172 ( 3.117 7.768 2.320) 8.686 3.281 ( -3.716 -0.695 0.800) 3.864 3.386 ( 0.813 4.840 5.742) 7.553 3.602 ( -1.604 -8.430 5.392) 10.134 3.674 ( -0.273 -0.614 -1.912) 2.027 3.821 ( -2.536 -5.112 0.345) 5.717 3.949 ( 4.452 -0.426 -1.006) 4.584 4.030 ( -9.268 3.364 -3.559) 10.482 4.200 ( 5.344 0.550 -0.877) 5.443 4.448 ( 0.116 -3.856 -7.265) 8.225 4.505 ( 6.762 -7.480 2.695) 10.437 4.606 ( -3.853 3.265 -3.828) 6.337 4.672 ( -3.062 -1.530 1.474) 3.727 4.774 ( 0.792 6.395 -4.713) 7.984 4.965 ( -4.205 1.442 1.254) 4.619 5.124 ( -3.313 1.258 -2.318) 4.235 5.216 ( 1.236 5.605 5.306) 7.816 5.341 ( 5.073 5.039 4.146) 8.265 5.471 ( -0.264 -4.125 1.860) 4.532 5.519 ( 1.100 1.401 -3.619) 4.033 5.694 ( -1.575 -0.892 -9.791) 9.957 5.831 ( 6.419 -5.298 6.678) 10.671 5.994 ( 0.992 0.575 3.100) 3.305 6.135 ( -0.520 -1.929 -1.370) 2.422 6.171 ( 3.356 -3.151 0.820) 4.676 6.217 ( -1.483 -2.205 2.845) 3.893 6.371 ( 1.240 -8.196 1.885) 8.501 6.510 ( 9.507 -6.698 3.598) 12.173 6.787 ( -5.006 3.960 1.953) 6.675 6.942 ( -4.491 7.843 -11.089) 14.306 7.028 ( 4.154 2.401 0.654) 4.843 7.124 ( -2.035 4.607 -3.948) 6.400 7.218 ( 0.593 4.761 -0.759) 4.858 7.298 ( -2.744 5.380 1.512) 6.226 7.986 ( -0.398 1.227 4.031) 4.232 8.323 ( -0.523 -2.734 -2.656) 3.848 8.448 ( -0.174 4.826 1.392) 5.025 8.507 ( 2.796 -3.809 3.665) 5.980 8.664 ( -5.846 5.343 -13.288) 15.469 8.777 ( -3.583 0.871 2.776) 4.616 8.947 ( 0.911 1.045 2.598) 2.945 9.014 ( -2.459 1.153 -2.755) 3.868 9.050 ( 5.703 -1.399 -1.543) 6.071 9.267 ( 1.726 -1.990 -5.773) 6.346 9.360 ( -1.944 -1.289 -1.100) 2.579 9.590 ( -6.999 -5.552 -6.189) 10.868 9.780 ( 0.569 -6.837 -5.595) 8.853 9.946 ( 4.255 3.508 -1.016) 5.607 9.997 ( 3.722 -8.966 11.507) 15.055 10.076 ( 4.496 -9.002 3.918) 10.798 10.324 ( 4.625 -0.510 2.610) 5.335 10.351 ( -3.024 -7.727 3.089) 8.853 10.594 ( 3.443 -0.730 4.155) 5.446 10.752 ( 9.285 -0.364 -5.303) 10.699 10.838 ( -8.696 -8.998 -4.288) 13.227 10.904 ( -5.621 -6.657 -0.642) 8.737 11.277 ( -5.171 3.790 -5.000) 8.131 11.449 ( -2.613 -2.567 -2.697) 4.549 12.403 ( 7.545 8.402 6.259) 12.911 12.488 ( -0.423 9.890 2.326) 10.169 12.723 ( 0.836 11.571 -2.484) 11.864 13.005 ( 0.737 -4.181 -4.220) 5.986 13.439 ( -1.669 2.895 4.248) 5.405 13.598 ( -3.285 -2.048 1.698) 4.227 14.249 ( 1.028 -0.532 -3.300) 3.497 14.379 ( 3.017 -2.276 -0.913) 3.888 19.453 ( -0.441 0.302 4.836) 4.865 19.559 ( -1.028 -2.002 7.205) 7.548 19.716 ( -0.707 3.335 5.624) 6.577 19.846 ( -9.555 -3.750 11.004) 15.048 20.668 ( -0.401 -2.132 5.254) 5.684 20.828 ( -1.044 -5.518 4.151) 6.984 20.968 ( 0.226 3.307 1.087) 3.489 21.292 ( 2.653 -3.153 -0.787) 4.196 22.028 ( -0.447 2.077 0.425) 2.167 22.505 ( -0.334 -13.020 0.943) 13.058 22.971 ( -0.226 4.812 -12.914) 13.784 23.053 ( 3.191 -0.339 -5.222) 6.129 23.478 ( -0.846 0.045 2.033) 2.202 23.691 ( 1.484 -5.089 -1.701) 5.567 24.042 ( 0.298 9.739 -0.468) 9.754 24.240 ( 1.585 3.578 -3.318) 5.131 ======================= Grid point 46 (24/72) ======================= q-point: ( 0.20 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -4.528 8.598 13.119) 16.326 1.348 ( 8.191 18.167 9.960) 22.279 1.802 ( -3.673 0.134 4.584) 5.876 1.944 ( -8.562 -0.878 -0.687) 8.634 2.208 ( -2.935 -8.906 0.438) 9.388 2.354 ( -1.863 -1.334 6.592) 6.979 2.491 ( -10.122 0.034 -4.340) 11.013 2.539 ( 0.636 -3.224 2.417) 4.080 2.629 ( 9.959 -7.476 -2.556) 12.712 2.695 ( -3.939 7.836 7.335) 11.433 2.838 ( -4.793 -9.921 2.189) 11.234 2.874 ( -2.740 -0.726 -1.958) 3.445 3.034 ( 2.618 8.822 3.303) 9.777 3.057 ( 2.432 7.127 -1.509) 7.680 3.217 ( -4.755 3.108 -2.616) 6.254 3.256 ( 5.090 -1.240 -0.692) 5.284 3.509 ( 5.733 0.908 7.899) 9.802 3.539 ( -7.070 2.592 1.631) 7.705 3.648 ( 0.328 -0.726 4.394) 4.465 3.706 ( -6.239 2.465 -1.105) 6.798 3.887 ( -4.333 -3.882 4.610) 7.423 4.060 ( 0.692 -1.481 2.209) 2.748 4.254 ( -2.758 3.584 0.508) 4.551 4.420 ( 2.332 1.622 2.718) 3.931 4.488 ( -0.207 4.801 -10.829) 11.848 4.625 ( 2.848 3.011 0.591) 4.186 4.645 ( -3.958 -2.741 2.782) 5.560 4.760 ( 2.679 9.296 -5.259) 11.011 4.948 ( 0.403 3.706 5.100) 6.318 5.017 ( -3.400 8.333 -3.619) 9.701 5.237 ( 0.770 2.509 -1.321) 2.938 5.394 ( -4.182 -0.143 3.592) 5.515 5.461 ( -0.007 -3.902 -0.390) 3.921 5.569 ( 1.181 3.361 -4.827) 6.000 5.588 ( 1.347 0.802 -8.022) 8.174 5.968 ( -2.112 -0.634 0.039) 2.205 6.032 ( 4.872 -4.186 4.863) 8.056 6.160 ( 3.516 -5.214 1.308) 6.423 6.277 ( 6.250 -3.405 0.233) 7.121 6.349 ( 4.435 3.588 2.696) 6.310 6.413 ( 6.173 -7.262 -0.426) 9.541 6.625 ( 1.183 2.490 0.180) 2.762 6.717 ( -1.286 -3.690 -0.351) 3.924 6.889 ( 2.620 0.697 -3.285) 4.260 6.977 ( -3.820 2.891 -5.797) 7.521 7.080 ( -2.642 -2.531 0.687) 3.722 7.231 ( -2.966 3.485 -0.965) 4.677 7.246 ( 0.483 3.685 -1.251) 3.921 8.046 ( 3.185 3.995 3.539) 6.216 8.313 ( -0.483 0.708 1.423) 1.662 8.372 ( -5.622 6.193 -2.995) 8.884 8.488 ( -2.891 1.862 -3.412) 4.844 8.566 ( -2.725 -6.325 4.547) 8.253 8.742 ( 1.404 1.664 2.724) 3.487 8.908 ( -5.233 0.674 -1.133) 5.396 8.953 ( -0.378 -3.802 0.436) 3.846 9.141 ( 2.445 -4.291 -1.303) 5.108 9.211 ( -0.764 -7.464 -10.025) 12.522 9.336 ( -0.175 -2.476 -0.077) 2.484 9.435 ( -4.729 -0.724 -3.693) 6.044 9.746 ( -1.332 -8.953 -0.333) 9.058 10.005 ( 1.216 -4.616 -0.865) 4.851 10.058 ( -1.997 -3.963 4.890) 6.603 10.163 ( 2.530 0.875 0.056) 2.677 10.308 ( -1.218 -6.952 2.992) 7.666 10.485 ( 5.654 5.446 3.663) 8.663 10.598 ( -7.888 -4.548 -7.294) 11.667 10.734 ( 2.213 -2.983 0.823) 3.804 10.798 ( -1.396 -4.070 2.565) 5.010 10.924 ( 9.912 -4.597 -6.973) 12.962 11.117 ( -5.072 5.791 -1.515) 7.846 11.436 ( 1.910 -3.849 -0.313) 4.308 12.462 ( -2.319 7.206 1.541) 7.725 12.578 ( 2.360 11.947 2.650) 12.463 12.696 ( -1.515 7.690 -0.478) 7.852 12.854 ( -5.879 -2.873 -2.954) 7.180 13.580 ( 2.711 3.799 5.644) 7.324 13.679 ( 11.664 -3.430 -0.263) 12.161 14.265 ( 2.014 -0.449 -2.591) 3.313 14.427 ( 2.507 -1.578 -3.793) 4.812 19.479 ( -0.609 -0.248 5.870) 5.906 19.560 ( -3.904 -2.554 7.107) 8.502 19.720 ( -2.925 3.570 5.168) 6.928 19.768 ( -2.166 4.464 8.988) 10.267 20.672 ( -2.135 -2.168 4.334) 5.296 20.843 ( -0.453 -5.281 4.362) 6.864 20.984 ( 0.625 -2.095 0.360) 2.216 21.337 ( 1.702 -7.743 -1.689) 8.106 22.021 ( -0.540 3.186 0.819) 3.333 22.518 ( 0.925 -12.670 0.807) 12.729 22.858 ( -2.411 6.929 -9.574) 12.061 23.047 ( 0.172 -3.943 -4.965) 6.343 23.454 ( -2.071 1.779 1.176) 2.973 23.656 ( -2.001 -3.691 -0.549) 4.234 24.118 ( 5.231 9.204 -1.699) 10.722 24.264 ( 2.134 4.183 -2.997) 5.571 ======================= Grid point 47 (25/72) ======================= q-point: ( 0.40 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( 9.723 -7.636 14.541) 19.087 1.362 ( -19.422 -6.638 5.618) 21.280 1.713 ( 5.774 8.865 3.414) 11.117 1.962 ( -1.894 4.090 -1.735) 4.830 2.125 ( -7.849 -3.402 -0.598) 8.576 2.160 ( -4.183 5.837 -0.338) 7.189 2.349 ( 0.371 4.550 3.782) 5.929 2.545 ( 0.123 -7.515 0.087) 7.517 2.672 ( -4.755 -9.106 -0.548) 10.287 2.737 ( 1.675 -3.275 4.428) 5.756 2.861 ( 11.420 -7.355 -4.041) 14.172 2.979 ( 1.317 0.100 2.455) 2.788 3.033 ( -7.981 -1.260 1.501) 8.218 3.076 ( 4.606 2.892 -5.471) 7.715 3.150 ( 3.234 4.490 4.274) 6.992 3.315 ( 0.930 4.430 1.370) 4.729 3.496 ( -6.850 5.344 6.771) 11.015 3.564 ( -8.334 -2.469 4.678) 9.871 3.615 ( 1.068 -0.218 4.388) 4.522 3.702 ( 1.020 6.900 2.393) 7.374 3.828 ( -6.473 9.731 3.738) 12.271 3.892 ( -4.022 -5.124 6.036) 8.881 4.305 ( 4.692 -7.325 -0.028) 8.699 4.363 ( -4.943 5.938 -12.507) 14.700 4.519 ( 3.771 5.173 0.505) 6.422 4.596 ( -0.382 1.456 0.408) 1.560 4.706 ( 2.592 3.543 1.227) 4.558 4.782 ( 0.866 6.723 -2.972) 7.401 4.946 ( 0.352 14.540 -0.781) 14.566 5.044 ( 3.046 7.278 7.746) 11.057 5.192 ( -4.220 1.463 1.702) 4.780 5.358 ( 0.540 -3.464 -1.772) 3.928 5.429 ( -1.688 1.608 -2.393) 3.341 5.519 ( 0.744 5.568 -3.609) 6.677 5.639 ( 4.205 -6.982 -3.879) 9.026 5.926 ( -3.439 -4.200 3.235) 6.319 6.054 ( 1.107 -6.413 -7.225) 9.724 6.176 ( -3.911 -0.440 -8.217) 9.111 6.354 ( 1.494 0.388 4.664) 4.913 6.446 ( -0.243 -3.389 -0.861) 3.505 6.543 ( 9.450 -2.059 0.896) 9.713 6.645 ( -4.050 -1.851 -5.474) 7.056 6.765 ( 3.947 0.747 -1.182) 4.187 6.885 ( 5.116 0.783 0.939) 5.260 6.968 ( -0.213 -0.013 3.673) 3.679 7.032 ( -1.595 6.464 -1.745) 6.882 7.136 ( -3.523 -8.549 -0.226) 9.249 7.234 ( 1.050 2.042 -1.958) 3.018 8.119 ( 0.789 6.506 2.827) 7.137 8.269 ( -1.017 0.398 1.803) 2.108 8.334 ( -0.721 4.750 1.799) 5.130 8.458 ( -6.533 0.237 2.716) 7.079 8.505 ( 4.075 0.707 4.289) 5.958 8.769 ( -2.144 -0.879 0.727) 2.429 8.837 ( -1.357 0.187 2.167) 2.564 8.992 ( 2.103 -4.858 -0.596) 5.327 9.109 ( -2.572 -2.903 -7.624) 8.554 9.183 ( 0.425 -2.297 -0.032) 2.336 9.323 ( -0.985 -7.959 1.797) 8.218 9.370 ( 5.611 -8.132 -8.845) 13.261 9.725 ( -1.396 -8.264 5.409) 9.975 9.946 ( -4.771 -11.237 -3.656) 12.744 10.025 ( -1.620 1.036 -3.153) 3.693 10.231 ( 3.228 0.488 -0.259) 3.275 10.320 ( 0.734 -1.328 -2.046) 2.547 10.411 ( -5.300 -3.424 -4.686) 7.859 10.578 ( 0.592 3.393 1.754) 3.865 10.677 ( -1.470 -2.496 -4.213) 5.113 10.842 ( -0.124 -2.410 0.971) 2.601 11.040 ( 4.994 4.222 5.633) 8.631 11.170 ( 8.064 -3.855 -3.772) 9.701 11.465 ( -1.550 -4.943 3.809) 6.430 12.344 ( -5.858 7.775 -5.801) 11.332 12.595 ( -0.596 5.342 5.830) 7.930 12.716 ( 1.944 9.001 -0.435) 9.219 12.773 ( -1.309 2.806 -3.828) 4.924 13.643 ( 0.054 7.199 4.460) 8.468 13.886 ( 6.231 -4.695 1.244) 7.901 14.286 ( 1.509 0.057 -3.051) 3.404 14.431 ( 0.894 -0.550 -5.195) 5.300 19.485 ( -2.993 -0.199 5.228) 6.028 19.525 ( -2.180 -1.369 5.934) 6.468 19.696 ( -2.575 4.288 5.339) 7.316 19.822 ( 0.221 2.368 10.499) 10.765 20.648 ( -2.139 -1.369 3.107) 4.013 20.857 ( -1.051 -5.587 4.313) 7.136 20.993 ( 0.082 -3.263 -0.002) 3.264 21.336 ( 0.208 -8.757 -4.082) 9.664 22.019 ( -0.343 4.077 1.305) 4.294 22.545 ( 0.877 -12.989 0.639) 13.035 22.776 ( 0.232 8.984 -6.621) 11.163 23.024 ( 0.561 -4.656 -3.166) 5.659 23.427 ( -0.839 2.028 0.607) 2.277 23.624 ( -0.859 -3.627 -0.619) 3.778 24.193 ( 2.919 8.553 -2.597) 9.403 24.275 ( 0.814 4.686 -3.107) 5.681 ======================= Grid point 48 (26/72) ======================= q-point: (-0.40 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.970 ( -15.649 2.400 12.572) 20.217 1.451 ( 15.526 -9.910 6.714) 19.605 1.593 ( -16.447 11.931 -0.379) 20.322 1.922 ( 3.451 0.919 0.275) 3.582 2.152 ( 9.718 -2.916 0.726) 10.172 2.213 ( 0.947 10.777 6.879) 12.820 2.422 ( 4.041 7.243 -1.651) 8.457 2.574 ( 2.045 -2.072 0.477) 2.950 2.632 ( -3.145 -0.940 6.713) 7.473 2.803 ( -6.630 2.109 -2.945) 7.555 2.844 ( -4.489 2.555 9.332) 10.666 2.884 ( -6.235 7.142 -0.763) 9.511 3.054 ( -1.037 -2.319 -8.252) 8.634 3.107 ( 4.358 2.050 -2.231) 5.308 3.188 ( 2.138 -1.942 1.268) 3.155 3.306 ( -2.665 7.143 -1.929) 7.865 3.394 ( 1.617 1.962 2.633) 3.660 3.454 ( 3.690 -3.281 2.612) 5.586 3.582 ( -8.739 -6.344 7.168) 12.961 3.806 ( 2.232 -5.862 -1.490) 6.447 3.846 ( 2.554 5.865 9.217) 11.220 3.974 ( 4.637 3.389 8.743) 10.461 4.141 ( -4.383 1.944 -9.983) 11.075 4.417 ( 4.248 -3.314 0.116) 5.389 4.544 ( -1.498 0.258 -1.560) 2.178 4.633 ( 2.444 -0.837 -1.218) 2.856 4.746 ( 0.983 -1.229 -0.136) 1.580 4.761 ( 2.507 6.233 -3.505) 7.578 5.000 ( 2.482 13.278 5.298) 14.510 5.115 ( -0.683 6.398 2.632) 6.952 5.165 ( 0.249 -4.394 1.218) 4.566 5.267 ( -6.828 2.633 -3.139) 7.963 5.426 ( -0.104 0.858 1.608) 1.826 5.576 ( 5.282 4.721 -0.936) 7.146 5.699 ( 3.730 -6.668 -3.523) 8.414 5.892 ( -0.606 -2.614 -0.703) 2.774 5.997 ( -3.580 -5.421 -6.330) 9.070 6.038 ( -1.131 -2.942 -3.781) 4.922 6.294 ( -9.279 -1.591 -1.840) 9.592 6.404 ( -3.713 -5.987 -2.858) 7.603 6.467 ( -4.450 -3.205 -5.090) 7.482 6.651 ( -1.967 4.482 0.397) 4.911 6.748 ( -2.051 -2.436 -3.469) 4.709 6.954 ( 0.773 -1.095 -2.912) 3.206 7.004 ( 2.298 3.585 3.990) 5.836 7.098 ( 8.517 2.273 8.032) 11.926 7.182 ( 2.344 1.951 0.867) 3.170 7.264 ( 2.068 3.246 -2.402) 4.537 8.114 ( -4.462 2.658 3.298) 6.152 8.267 ( 1.528 1.984 2.368) 3.447 8.356 ( 0.168 1.086 0.219) 1.121 8.388 ( 0.195 5.118 2.379) 5.647 8.686 ( 6.712 -1.908 1.379) 7.112 8.786 ( 4.582 -0.948 4.473) 6.473 8.832 ( -0.437 0.954 7.319) 7.394 8.982 ( -1.771 -0.607 -0.741) 2.013 9.014 ( -0.370 -1.346 -5.856) 6.020 9.124 ( -2.173 2.032 -5.738) 6.463 9.401 ( 5.809 -6.848 -0.511) 8.995 9.518 ( 9.326 -11.036 -3.235) 14.806 9.757 ( -3.379 -8.611 6.885) 11.531 9.806 ( -1.334 -3.813 -4.786) 6.263 9.939 ( -4.023 -6.285 -7.282) 10.427 10.224 ( -0.553 -4.385 -7.702) 8.880 10.293 ( 1.974 -3.014 -0.564) 3.646 10.364 ( -3.876 -7.460 3.431) 9.080 10.567 ( 1.504 6.581 -1.985) 7.036 10.659 ( -0.715 2.649 -4.465) 5.241 10.814 ( -0.934 -2.787 2.415) 3.805 11.223 ( 3.465 -8.724 0.347) 9.394 11.268 ( 4.770 -1.569 2.918) 5.808 11.423 ( -3.396 -0.691 5.165) 6.220 12.216 ( -1.950 11.602 -5.738) 13.089 12.650 ( 1.808 7.960 3.951) 9.068 12.677 ( -3.499 3.501 -4.180) 6.479 12.777 ( 3.001 6.671 -0.983) 7.380 13.631 ( -3.665 7.321 4.257) 9.228 13.937 ( -2.420 -5.842 1.100) 6.418 14.285 ( 0.662 0.188 -3.667) 3.731 14.398 ( -0.938 -1.090 -4.938) 5.143 19.452 ( -2.365 0.358 3.660) 4.373 19.528 ( -1.721 -1.396 5.999) 6.395 19.685 ( -2.030 3.504 6.252) 7.449 19.895 ( -0.856 -2.447 12.687) 12.949 20.633 ( -1.089 -0.785 2.821) 3.124 20.854 ( -1.879 -6.670 4.185) 8.095 20.986 ( -0.753 0.283 0.138) 0.816 21.302 ( -0.352 -6.071 -5.190) 7.995 22.024 ( -0.040 3.603 1.293) 3.828 22.547 ( -1.127 -12.873 0.546) 12.934 22.801 ( 6.296 9.911 -6.040) 13.204 23.032 ( 1.957 -3.047 -3.132) 4.788 23.430 ( 0.506 0.857 1.479) 1.783 23.606 ( -0.129 -3.403 -1.360) 3.667 24.194 ( -1.247 6.723 -2.675) 7.342 24.268 ( 0.741 4.899 -3.708) 6.188 ======================= Grid point 49 (27/72) ======================= q-point: (-0.20 0.29 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 1.599 15.593 12.235) 19.885 1.318 ( -8.090 23.440 5.030) 25.302 1.755 ( 5.715 2.702 5.868) 8.625 1.999 ( 6.716 -17.349 -0.649) 18.615 2.215 ( -17.348 18.261 8.044) 26.441 2.248 ( -5.522 12.135 9.091) 16.137 2.461 ( 11.689 -1.471 -0.518) 11.793 2.590 ( 3.567 3.611 0.046) 5.076 2.647 ( -1.212 -3.169 -0.914) 3.514 2.659 ( 6.109 3.562 0.444) 7.085 2.840 ( -0.122 8.830 2.087) 9.074 2.888 ( -0.883 -3.862 -2.685) 4.786 3.014 ( 1.493 9.004 -1.756) 9.295 3.110 ( -4.337 3.785 -3.374) 6.672 3.167 ( -3.217 7.551 -0.228) 8.211 3.298 ( 4.379 7.632 2.227) 9.076 3.410 ( -7.233 -4.422 2.394) 8.809 3.539 ( 6.211 -12.408 4.096) 14.468 3.615 ( 3.431 -4.420 4.653) 7.278 3.836 ( 0.096 -6.099 1.546) 6.293 3.923 ( 0.675 3.377 -1.671) 3.828 4.034 ( 5.278 2.483 4.777) 7.539 4.157 ( 1.882 -0.560 -1.734) 2.620 4.444 ( -2.709 -2.852 0.257) 3.942 4.488 ( 1.710 -4.170 -8.201) 9.358 4.644 ( 1.490 -8.662 -4.824) 10.026 4.734 ( -0.733 2.130 -0.155) 2.258 4.867 ( 1.059 3.349 -7.949) 8.691 4.996 ( -5.269 5.636 3.682) 8.549 5.100 ( 1.978 8.466 9.567) 12.927 5.170 ( 0.216 -6.717 -1.189) 6.825 5.225 ( 2.549 6.700 4.485) 8.456 5.422 ( 0.941 -2.250 -0.230) 2.449 5.624 ( -3.881 0.050 -0.378) 3.899 5.720 ( 1.539 0.605 -3.084) 3.499 5.818 ( -2.098 -5.035 -9.803) 11.218 5.961 ( -0.979 1.001 4.707) 4.911 6.072 ( 1.911 -2.491 -0.581) 3.193 6.141 ( 2.974 -5.042 7.014) 9.136 6.274 ( -5.335 -5.525 -3.799) 8.568 6.339 ( -5.596 -3.070 -0.183) 6.385 6.525 ( -5.012 -6.939 -6.989) 11.051 6.800 ( 2.754 5.523 4.831) 7.838 6.949 ( 2.125 2.856 -4.868) 6.031 7.079 ( 0.287 6.896 -0.574) 6.925 7.151 ( -2.680 6.917 -1.902) 7.658 7.258 ( -0.658 3.973 -3.649) 5.435 7.278 ( 2.464 4.025 6.745) 8.232 8.018 ( -4.965 0.921 3.701) 6.261 8.334 ( 1.424 -3.350 -0.175) 3.644 8.395 ( 3.456 3.965 1.903) 5.594 8.432 ( 2.160 3.648 1.444) 4.479 8.761 ( 3.576 -0.555 -6.306) 7.271 8.808 ( -1.000 -2.130 2.085) 3.144 8.936 ( -0.166 2.552 -1.668) 3.054 8.967 ( 0.345 -0.688 -2.378) 2.499 9.069 ( -0.037 1.375 -3.552) 3.810 9.136 ( 10.267 1.172 9.635) 14.128 9.441 ( -1.632 2.516 -7.489) 8.068 9.672 ( 8.272 -8.434 -3.616) 12.355 9.755 ( 3.872 -7.309 -5.649) 10.016 9.801 ( -0.262 -11.054 8.860) 14.169 9.843 ( 0.353 -0.416 -0.580) 0.796 10.145 ( -5.615 -9.438 -5.024) 12.077 10.279 ( -0.310 -0.715 -2.450) 2.571 10.358 ( -0.423 -11.100 8.316) 13.876 10.577 ( -1.985 0.935 -3.128) 3.821 10.631 ( 5.335 5.803 -3.320) 8.553 10.872 ( 2.388 -7.275 4.561) 8.912 11.094 ( -8.684 -10.996 -4.617) 14.753 11.366 ( -1.046 2.376 -1.639) 3.070 11.469 ( 2.680 -2.550 4.448) 5.786 12.217 ( 4.655 12.012 0.788) 12.907 12.554 ( -5.236 6.775 -1.399) 8.676 12.701 ( 2.213 10.748 -1.899) 11.136 12.879 ( 7.227 3.818 -0.563) 8.193 13.559 ( -6.307 2.818 5.051) 8.558 13.784 ( -11.639 -5.731 -1.276) 13.036 14.268 ( 0.230 -0.251 -4.847) 4.859 14.349 ( -0.371 -1.670 -1.351) 2.180 19.440 ( -1.134 0.441 3.869) 4.056 19.535 ( -1.133 -1.139 6.003) 6.214 19.694 ( -1.275 2.729 6.834) 7.469 19.929 ( -5.015 -8.406 13.497) 16.673 20.640 ( -0.340 -0.620 3.941) 4.004 20.837 ( -2.168 -6.830 4.019) 8.216 20.969 ( -0.934 5.565 0.821) 5.702 21.269 ( 0.601 -2.314 -3.599) 4.321 22.030 ( -0.081 2.359 0.788) 2.488 22.520 ( -1.493 -12.598 0.738) 12.708 22.935 ( 9.904 7.582 -9.371) 15.601 23.042 ( 0.911 -0.254 -4.647) 4.742 23.462 ( 0.738 -0.486 2.762) 2.900 23.622 ( 3.219 -2.813 -1.412) 4.502 24.118 ( -4.188 6.005 -2.097) 7.616 24.250 ( 0.122 3.880 -4.044) 5.606 ======================= Grid point 50 (28/72) ======================= q-point: ( 0.00 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 3.266 19.832 -7.775) 21.550 1.639 ( -5.960 12.619 0.763) 13.976 1.799 ( 0.311 -7.829 -0.550) 7.854 2.012 ( 8.918 1.433 1.719) 9.195 2.049 ( -13.867 -10.049 2.788) 17.351 2.209 ( 1.970 -11.210 0.351) 11.387 2.404 ( -5.664 10.695 1.272) 12.169 2.576 ( -2.612 -6.734 -2.871) 7.772 2.736 ( -4.207 7.463 1.142) 8.643 2.878 ( -2.902 0.033 1.569) 3.299 2.896 ( 2.499 1.014 3.642) 4.532 2.920 ( -3.333 -0.786 -5.869) 6.796 3.051 ( 3.579 5.197 1.175) 6.418 3.126 ( -3.861 3.366 3.009) 5.940 3.218 ( -2.272 -4.318 3.931) 6.265 3.289 ( -4.215 -7.657 6.768) 11.055 3.565 ( -1.663 21.094 6.417) 22.111 3.629 ( -0.576 4.043 1.333) 4.296 3.664 ( 2.857 -0.218 -0.018) 2.865 3.727 ( -1.899 1.374 0.853) 2.494 3.920 ( 3.902 -4.873 -3.408) 7.113 3.998 ( -4.237 -8.940 -0.890) 9.933 4.278 ( 5.872 5.160 3.896) 8.734 4.350 ( 4.946 -4.058 3.225) 7.165 4.401 ( 3.774 0.122 -0.845) 3.869 4.513 ( 4.991 -7.407 -1.003) 8.988 4.727 ( -4.920 3.918 4.118) 7.518 4.815 ( 0.213 -3.776 -2.942) 4.791 5.020 ( -2.639 4.381 1.977) 5.483 5.103 ( -0.319 -3.387 2.717) 4.353 5.320 ( 1.521 4.212 -1.873) 4.854 5.394 ( -3.160 -3.770 0.553) 4.950 5.512 ( 2.970 11.324 3.788) 12.305 5.579 ( 5.287 3.320 -4.984) 7.988 5.695 ( 0.358 1.301 -8.571) 8.676 5.763 ( 2.080 -2.294 3.371) 4.578 5.941 ( -0.064 -4.258 2.507) 4.942 5.991 ( -1.626 -10.443 -0.672) 10.590 6.140 ( 1.055 2.547 2.327) 3.608 6.209 ( 1.810 -3.903 4.435) 6.179 6.288 ( 3.666 2.860 2.019) 5.069 6.386 ( 7.836 -6.201 5.716) 11.512 6.911 ( -4.197 7.444 -1.935) 8.762 7.024 ( 0.566 -3.317 -1.749) 3.793 7.083 ( -4.916 6.004 -9.424) 12.207 7.156 ( -5.660 -1.267 -8.210) 10.053 7.323 ( 1.117 4.834 0.162) 4.964 7.363 ( -0.804 0.914 0.185) 1.231 8.043 ( 0.513 5.219 3.506) 6.308 8.188 ( 1.368 -9.101 0.132) 9.204 8.494 ( -0.678 2.768 -0.972) 3.010 8.528 ( -0.618 0.336 -1.270) 1.452 8.756 ( -2.499 3.644 -8.382) 9.476 8.796 ( -0.206 0.029 -1.872) 1.883 8.963 ( -1.103 2.692 0.698) 2.992 9.026 ( 0.159 -1.484 1.298) 1.978 9.087 ( -2.675 4.127 -2.927) 5.723 9.169 ( -3.429 -5.476 -5.306) 8.361 9.397 ( -2.081 4.071 -4.597) 6.484 9.484 ( -2.572 -4.828 -5.236) 7.572 9.652 ( -1.989 -3.524 -0.386) 4.065 9.735 ( 0.091 -11.784 5.406) 12.965 9.987 ( 7.560 -1.078 10.154) 12.705 10.003 ( 9.796 -1.171 8.992) 13.349 10.282 ( -0.589 2.276 2.435) 3.385 10.334 ( 4.307 -1.286 0.459) 4.518 10.619 ( 2.198 2.866 0.140) 3.615 10.702 ( -2.502 -5.701 -1.341) 6.368 10.760 ( 2.830 1.107 -6.626) 7.289 10.802 ( -2.417 -3.572 -4.939) 6.557 11.340 ( -4.331 2.970 -3.346) 6.227 11.396 ( -2.878 -2.870 -2.480) 4.761 12.546 ( 5.797 5.876 4.122) 9.226 12.602 ( 4.626 1.085 1.446) 4.967 12.886 ( -2.219 5.203 -1.870) 5.957 12.943 ( -4.938 -2.064 -1.858) 5.665 13.494 ( -0.199 2.742 3.250) 4.257 13.548 ( -1.529 -2.863 2.049) 3.838 14.261 ( 1.291 1.922 -2.662) 3.528 14.318 ( 2.158 -3.567 -1.282) 4.361 19.470 ( -0.975 1.508 5.696) 5.972 19.510 ( -1.458 -2.568 6.847) 7.457 19.775 ( -0.910 2.497 6.129) 6.680 19.809 ( -2.976 -1.234 7.774) 8.416 20.659 ( -1.119 1.257 3.900) 4.247 20.717 ( -1.324 -4.749 3.457) 6.021 21.078 ( -0.775 6.658 -0.842) 6.755 21.203 ( 0.238 -5.919 -1.356) 6.077 22.110 ( -0.394 6.462 1.250) 6.594 22.275 ( -0.413 -10.527 1.220) 10.606 23.026 ( 0.026 1.646 -8.333) 8.494 23.046 ( 1.146 -0.549 -7.255) 7.366 23.511 ( 0.157 3.143 1.237) 3.382 23.590 ( 0.647 -4.944 0.173) 4.989 24.195 ( 1.474 5.880 -1.353) 6.211 24.264 ( 1.579 -1.189 -2.240) 2.988 ======================= Grid point 51 (29/72) ======================= q-point: ( 0.20 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -13.513 18.349 1.932) 22.869 1.566 ( -18.978 -18.088 1.012) 26.237 1.710 ( 8.515 15.564 1.279) 17.787 1.944 ( 1.620 -4.694 -1.422) 5.165 2.129 ( 2.252 3.786 -1.104) 4.541 2.318 ( 7.175 -13.288 -0.166) 15.103 2.378 ( 0.040 4.347 4.073) 5.957 2.484 ( -6.906 -3.059 0.213) 7.556 2.564 ( -4.461 -0.942 -6.974) 8.332 2.613 ( -11.226 -7.961 -8.012) 15.925 2.857 ( -3.983 6.253 3.465) 8.184 2.906 ( -5.194 1.248 2.450) 5.876 3.084 ( 0.010 3.522 -2.169) 4.136 3.176 ( -2.416 -3.806 -2.258) 5.042 3.226 ( 4.456 2.098 2.658) 5.597 3.299 ( 2.430 -4.655 8.842) 10.284 3.524 ( -2.627 10.762 5.258) 12.263 3.603 ( -3.623 2.909 4.624) 6.555 3.682 ( -2.794 -2.884 5.003) 6.415 3.688 ( -1.721 -1.199 2.770) 3.474 3.921 ( 0.175 6.958 1.342) 7.088 4.053 ( 5.598 -4.001 -0.466) 6.896 4.301 ( -7.121 6.019 5.400) 10.775 4.460 ( -1.125 -6.346 8.243) 10.464 4.508 ( 5.655 4.861 -3.025) 8.047 4.592 ( 2.409 -3.016 -2.758) 4.744 4.698 ( 2.492 5.079 0.674) 5.698 4.803 ( 1.716 -4.110 -4.582) 6.390 5.048 ( 2.576 6.942 7.788) 10.746 5.155 ( 2.886 -0.626 2.227) 3.698 5.278 ( -2.495 4.646 -3.194) 6.165 5.373 ( 0.921 -2.556 -0.725) 2.812 5.492 ( -3.636 6.521 -1.887) 7.701 5.588 ( -2.606 -1.627 -8.621) 9.152 5.677 ( 2.830 7.511 -2.732) 8.478 5.850 ( -0.614 -9.469 2.589) 9.836 5.978 ( 2.497 -0.474 2.302) 3.429 6.043 ( 4.680 -6.359 2.652) 8.329 6.233 ( 6.038 -0.042 2.279) 6.454 6.275 ( 4.460 -4.075 1.731) 6.284 6.461 ( 7.554 5.392 4.905) 10.497 6.585 ( 4.352 -7.293 5.364) 10.045 6.759 ( -5.016 9.100 -3.202) 10.873 6.927 ( -3.548 -5.131 -4.827) 7.887 6.963 ( -3.776 1.777 -4.813) 6.370 7.021 ( -2.088 -2.147 -4.021) 5.013 7.298 ( -3.796 2.980 -3.708) 6.086 7.315 ( -1.838 1.691 -4.042) 4.752 8.140 ( 5.684 6.359 3.803) 9.338 8.279 ( 5.043 -6.331 2.519) 8.477 8.453 ( -1.961 1.585 -1.916) 3.167 8.495 ( -1.345 -0.899 0.174) 1.627 8.563 ( -7.800 8.186 -7.522) 13.581 8.725 ( -3.288 -5.977 -3.526) 7.679 8.923 ( -4.109 2.434 4.727) 6.720 8.951 ( -4.427 3.591 -2.269) 6.135 9.029 ( -1.632 -7.285 -0.487) 7.482 9.046 ( -1.468 -6.198 -5.892) 8.677 9.365 ( -1.683 3.340 -3.932) 5.427 9.411 ( -3.568 -1.099 -2.911) 4.734 9.632 ( -1.538 -1.719 5.626) 6.080 9.734 ( -2.125 -12.304 4.794) 13.375 10.146 ( 2.980 2.836 6.072) 7.334 10.207 ( 3.856 -2.810 6.498) 8.062 10.243 ( -2.404 7.489 -2.475) 8.245 10.422 ( -0.869 -9.032 -0.589) 9.092 10.657 ( 4.421 7.023 -5.247) 9.818 10.716 ( 0.594 1.189 -2.385) 2.730 10.744 ( 1.659 -2.157 1.509) 3.112 10.815 ( 7.281 -6.526 -8.549) 12.988 11.236 ( -2.735 6.146 -0.429) 6.740 11.346 ( -0.406 -5.271 -0.054) 5.287 12.594 ( -3.401 6.557 0.794) 7.429 12.708 ( -4.318 -4.738 0.513) 6.431 12.771 ( 0.571 7.264 -0.168) 7.288 12.842 ( 0.218 -0.163 -2.077) 2.095 13.626 ( 5.706 1.181 3.322) 6.707 13.643 ( 8.856 -0.875 2.739) 9.311 14.288 ( 2.638 2.901 -2.756) 4.793 14.363 ( 2.973 -4.311 -2.795) 5.936 19.486 ( -1.366 0.944 6.041) 6.265 19.515 ( -2.448 -2.016 6.548) 7.275 19.787 ( -1.868 2.957 6.262) 7.173 19.816 ( -1.375 0.348 7.773) 7.902 20.655 ( -1.547 0.832 3.591) 3.998 20.714 ( -1.030 -5.389 3.429) 6.470 21.052 ( -0.857 6.130 -0.962) 6.264 21.188 ( -0.455 -7.678 -1.981) 7.943 22.117 ( 0.154 6.864 1.334) 6.994 22.286 ( 0.598 -10.690 1.139) 10.767 22.952 ( -1.312 3.209 -7.714) 8.457 22.998 ( -0.776 -1.969 -6.102) 6.458 23.504 ( -1.257 3.324 0.764) 3.635 23.577 ( -1.354 -4.169 0.119) 4.385 24.254 ( 4.023 4.857 -1.618) 6.511 24.303 ( 2.922 -0.223 -2.271) 3.707 ======================= Grid point 52 (30/72) ======================= q-point: ( 0.40 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.041 ( -2.810 3.839 11.635) 12.570 1.190 ( -16.474 -9.973 7.797) 20.776 1.885 ( 7.142 6.994 -3.199) 10.496 1.962 ( 1.876 -1.865 -4.270) 5.023 2.172 ( -12.027 4.680 -3.193) 13.295 2.263 ( 4.461 4.514 5.879) 8.651 2.334 ( -2.810 -7.223 0.168) 7.753 2.425 ( 3.825 1.025 8.801) 9.651 2.582 ( 3.199 -1.814 -2.066) 4.218 2.624 ( 13.087 -10.283 -4.461) 17.231 2.759 ( -4.715 2.609 1.411) 5.570 2.859 ( -1.283 -7.731 0.539) 7.855 3.062 ( -2.359 5.594 6.068) 8.584 3.142 ( 2.666 0.566 -3.607) 4.521 3.240 ( -2.987 2.615 -1.196) 4.147 3.343 ( -4.098 -8.136 7.495) 11.797 3.521 ( -1.653 9.238 5.050) 10.657 3.594 ( -4.295 4.104 4.648) 7.543 3.648 ( -2.726 -2.064 4.144) 5.372 3.690 ( 0.574 -6.032 2.577) 6.584 3.960 ( 0.782 9.516 3.119) 10.044 4.135 ( -2.551 8.419 3.965) 9.649 4.145 ( -3.255 2.323 2.404) 4.666 4.429 ( -2.986 -5.347 0.497) 6.144 4.545 ( 0.557 1.548 -6.682) 6.882 4.601 ( 1.767 -1.736 -5.045) 5.621 4.752 ( -0.135 2.237 0.431) 2.282 4.811 ( 0.821 -3.250 -2.904) 4.435 5.152 ( 0.686 5.305 6.121) 8.129 5.191 ( -5.063 0.701 5.630) 7.604 5.230 ( 2.870 10.344 -3.570) 11.313 5.359 ( 0.802 1.416 -4.840) 5.107 5.466 ( 2.375 0.140 -1.361) 2.741 5.501 ( -1.129 -5.533 -4.687) 7.338 5.680 ( 0.368 9.038 -1.987) 9.261 5.828 ( -1.138 -6.269 1.623) 6.575 5.996 ( -0.359 2.240 -1.737) 2.857 6.117 ( -1.666 -7.000 -3.298) 7.915 6.280 ( 0.915 -1.100 -1.233) 1.888 6.356 ( 0.246 -7.169 -4.054) 8.239 6.572 ( -1.396 4.621 2.039) 5.240 6.647 ( 3.247 -1.560 2.032) 4.136 6.787 ( 2.757 4.428 1.485) 5.423 6.917 ( 1.385 1.767 0.160) 2.251 6.921 ( 3.708 -5.517 4.624) 8.097 6.979 ( -2.863 -4.866 0.784) 5.700 7.171 ( -0.422 6.260 -6.533) 9.058 7.249 ( 0.768 -1.408 -4.507) 4.784 8.249 ( -0.005 5.677 3.159) 6.497 8.293 ( -3.474 1.095 2.598) 4.474 8.424 ( -1.435 1.577 0.137) 2.136 8.457 ( -0.358 -0.109 -2.105) 2.138 8.523 ( 5.739 4.827 2.266) 7.834 8.697 ( 0.946 -8.686 0.441) 8.748 8.868 ( -4.410 2.393 7.425) 8.961 8.898 ( -0.505 -1.920 0.488) 2.044 9.031 ( 2.099 -2.472 -2.290) 3.970 9.082 ( 6.732 -6.800 1.708) 9.720 9.260 ( -3.515 0.796 -4.987) 6.153 9.284 ( -2.890 -1.740 -8.164) 8.834 9.630 ( -2.690 -1.074 7.547) 8.084 9.711 ( -2.975 -9.548 3.008) 10.444 10.109 ( -4.957 5.767 -5.549) 9.414 10.214 ( -2.678 -3.543 -1.610) 4.724 10.283 ( 0.625 0.191 0.233) 0.694 10.337 ( -1.223 -4.309 -3.600) 5.746 10.683 ( 0.998 4.741 -6.287) 7.937 10.722 ( 1.108 4.656 -1.778) 5.105 10.792 ( 2.762 0.072 -0.552) 2.817 10.945 ( 7.034 -9.901 -3.650) 12.682 11.239 ( 1.420 6.882 3.101) 7.680 11.362 ( -0.085 -5.789 3.823) 6.938 12.485 ( -4.164 6.669 -2.682) 8.307 12.590 ( -3.016 -3.859 0.836) 4.969 12.843 ( 2.487 3.812 -0.176) 4.555 12.851 ( 0.627 2.866 -1.562) 3.324 13.746 ( 2.503 3.824 3.100) 5.522 13.811 ( 4.172 -3.369 3.168) 6.228 14.318 ( 1.802 3.096 -3.742) 5.180 14.387 ( 1.323 -3.531 -4.495) 5.867 19.486 ( -2.452 0.370 5.525) 6.056 19.500 ( -2.360 -1.085 5.733) 6.294 19.782 ( -2.421 4.192 5.914) 7.642 19.837 ( -1.587 -1.108 7.544) 7.789 20.646 ( -1.370 1.541 3.293) 3.886 20.718 ( -0.965 -6.048 3.789) 7.202 21.041 ( 0.248 5.295 -0.177) 5.303 21.170 ( 0.316 -7.989 -2.132) 8.275 22.128 ( -0.101 7.354 1.372) 7.482 22.305 ( 0.294 -11.121 1.114) 11.181 22.901 ( 1.077 4.339 -5.562) 7.136 22.962 ( 0.981 -2.576 -4.084) 4.928 23.481 ( -0.951 3.397 0.126) 3.530 23.552 ( -0.908 -3.843 -0.375) 3.967 24.308 ( 2.018 3.563 -2.711) 4.911 24.332 ( 1.291 0.984 -2.977) 3.391 ======================= Grid point 53 (31/72) ======================= q-point: (-0.40 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 0.488 7.389 13.083) 15.033 1.246 ( 12.733 -10.557 9.137) 18.896 1.817 ( -7.841 9.596 -1.941) 12.543 1.913 ( -4.995 -1.262 -2.529) 5.739 2.163 ( 10.812 4.160 3.183) 12.014 2.354 ( 3.893 -13.190 3.790) 14.265 2.439 ( 4.036 10.478 6.774) 13.113 2.537 ( 3.790 4.570 -4.654) 7.544 2.703 ( 1.940 -2.021 0.647) 2.875 2.733 ( 1.561 -0.496 4.055) 4.373 2.825 ( 0.395 -0.016 2.181) 2.217 2.872 ( 11.237 -6.282 -2.708) 13.155 3.114 ( -7.598 0.390 15.888) 17.615 3.128 ( -1.295 0.144 1.262) 1.813 3.169 ( 1.873 1.119 -2.069) 3.007 3.274 ( -4.794 -7.174 7.160) 11.213 3.480 ( -3.661 8.696 -0.470) 9.447 3.545 ( 0.490 10.868 3.762) 11.511 3.648 ( 1.629 1.035 0.742) 2.068 3.662 ( -3.172 -6.703 1.084) 7.495 3.962 ( -1.454 6.653 1.037) 6.889 4.112 ( -1.865 9.482 4.452) 10.640 4.133 ( -1.023 -3.235 -4.732) 5.823 4.366 ( -2.440 -6.855 2.096) 7.572 4.463 ( -2.756 1.227 -8.456) 8.978 4.592 ( -0.246 -5.242 -7.479) 9.136 4.728 ( -0.365 1.263 1.068) 1.694 4.804 ( 1.891 -5.048 -4.940) 7.312 5.082 ( -4.937 3.568 3.494) 7.022 5.161 ( -4.307 -1.886 3.384) 5.793 5.299 ( 4.790 12.995 0.416) 13.856 5.366 ( 0.556 4.957 -1.363) 5.171 5.437 ( -2.355 -0.149 -2.261) 3.268 5.551 ( 5.444 -8.845 -1.794) 10.540 5.695 ( 1.624 6.699 -2.233) 7.245 5.814 ( -0.675 -5.781 -3.547) 6.816 5.974 ( -0.530 3.009 0.973) 3.206 6.016 ( -0.973 -0.340 -3.947) 4.080 6.238 ( -7.754 -3.146 -2.908) 8.859 6.268 ( -4.006 -6.300 -2.543) 7.887 6.462 ( -7.646 3.704 -3.268) 9.103 6.590 ( -9.368 -8.162 -4.873) 13.346 6.793 ( 3.239 5.723 3.175) 7.302 6.894 ( 1.524 -4.488 -0.750) 4.798 7.083 ( 6.443 3.192 6.260) 9.534 7.117 ( 8.305 -0.418 8.435) 11.845 7.253 ( 5.772 4.247 -2.176) 7.489 7.300 ( 3.735 -0.094 -2.855) 4.702 8.187 ( -5.425 4.357 1.590) 7.137 8.260 ( -2.346 -2.694 1.595) 3.912 8.424 ( 2.078 4.844 -0.395) 5.286 8.471 ( 1.537 1.573 0.583) 2.275 8.672 ( 4.816 1.368 0.040) 5.006 8.736 ( 2.229 -3.793 1.209) 4.562 8.865 ( 0.659 2.261 9.302) 9.596 8.938 ( 2.644 -4.584 2.699) 5.941 9.032 ( 1.433 5.203 0.143) 5.399 9.153 ( -1.199 -2.607 -2.455) 3.776 9.277 ( 8.103 -2.556 1.533) 8.634 9.337 ( 8.439 -6.305 -4.252) 11.360 9.642 ( -2.028 -2.908 4.638) 5.838 9.668 ( -0.443 -5.997 3.482) 6.949 9.928 ( -6.932 3.317 -10.500) 13.012 10.050 ( -6.405 -9.129 -7.009) 13.172 10.298 ( 0.761 1.557 -1.278) 2.153 10.321 ( 0.196 -0.284 -2.708) 2.730 10.667 ( 0.287 3.174 -4.370) 5.408 10.722 ( -0.430 -1.709 1.312) 2.197 10.799 ( -0.824 7.314 -4.019) 8.386 10.999 ( -0.030 -11.683 -5.014) 12.714 11.321 ( 3.454 4.035 5.658) 7.761 11.391 ( 0.621 -2.852 4.547) 5.403 12.420 ( -0.436 9.367 -3.433) 9.986 12.574 ( 0.520 -6.632 -2.122) 6.983 12.846 ( -0.018 5.953 1.129) 6.059 12.882 ( 1.650 2.262 0.542) 2.852 13.744 ( -4.441 4.840 2.427) 7.003 13.835 ( -4.016 -4.866 2.511) 6.790 14.308 ( -0.138 2.102 -3.988) 4.510 14.358 ( -1.083 -2.770 -4.539) 5.427 19.466 ( -2.284 1.086 4.662) 5.304 19.493 ( -1.971 -1.780 5.782) 6.363 19.767 ( -2.492 4.473 5.625) 7.607 19.843 ( -2.551 -3.257 7.169) 8.277 20.645 ( -0.868 2.209 3.537) 4.259 20.721 ( -1.164 -5.711 3.938) 7.034 21.058 ( 1.130 5.367 0.582) 5.515 21.176 ( 1.325 -6.634 -1.782) 6.995 22.128 ( -0.727 7.336 1.345) 7.494 22.307 ( -0.882 -11.220 1.176) 11.315 22.932 ( 5.005 4.242 -4.741) 8.094 22.988 ( 3.537 -2.098 -3.399) 5.335 23.471 ( 0.052 3.038 0.162) 3.043 23.537 ( 0.046 -3.647 -0.805) 3.735 24.293 ( -1.420 3.458 -3.303) 4.988 24.322 ( -0.306 0.577 -3.552) 3.612 ======================= Grid point 54 (32/72) ======================= q-point: (-0.20 0.43 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 8.531 16.195 2.122) 18.427 1.590 ( 14.454 -17.996 -0.418) 23.086 1.733 ( -0.741 16.908 5.197) 17.704 1.865 ( 0.606 2.092 4.994) 5.448 2.300 ( -4.595 -5.000 -1.027) 6.868 2.331 ( -10.745 -7.353 3.930) 13.600 2.468 ( -1.614 7.763 -1.172) 8.016 2.568 ( 3.183 -3.038 -3.757) 5.786 2.713 ( 2.200 7.164 3.212) 8.153 2.789 ( 6.513 3.255 1.956) 7.539 2.891 ( -2.164 5.276 -0.602) 5.734 2.953 ( 1.220 7.398 2.911) 8.043 3.084 ( -1.172 -4.862 0.187) 5.005 3.167 ( -3.447 -2.099 9.742) 10.545 3.228 ( -1.240 -6.739 7.191) 9.933 3.271 ( 1.880 -5.942 6.301) 8.863 3.465 ( 2.540 13.905 3.571) 14.579 3.567 ( 2.071 4.672 -1.745) 5.400 3.660 ( 1.776 13.165 3.947) 13.858 3.732 ( 2.502 0.867 -0.966) 2.819 3.935 ( -3.171 -5.543 -4.734) 7.949 4.011 ( 1.676 -9.527 -0.141) 9.674 4.178 ( 3.012 5.340 1.482) 6.307 4.310 ( -4.187 -7.217 0.565) 8.363 4.398 ( 0.843 -2.168 -5.461) 5.936 4.485 ( -1.813 -8.227 -7.840) 11.508 4.749 ( -0.217 2.293 3.413) 4.118 4.839 ( 1.838 -6.114 -3.673) 7.366 5.048 ( -1.513 2.725 5.823) 6.605 5.103 ( -1.824 -1.918 1.959) 3.293 5.312 ( -1.137 9.827 -2.406) 10.181 5.392 ( 0.520 3.418 0.260) 3.467 5.426 ( 2.863 6.625 2.617) 7.677 5.594 ( -1.268 -4.436 -3.580) 5.839 5.718 ( 2.375 -0.697 -3.448) 4.244 5.755 ( -0.304 -1.405 -6.402) 6.562 6.003 ( -4.431 2.122 1.803) 5.233 6.033 ( -2.720 -0.660 4.051) 4.924 6.076 ( 5.171 -1.068 4.954) 7.240 6.125 ( -4.844 -7.641 -3.852) 9.833 6.313 ( -4.035 0.716 -2.030) 4.573 6.383 ( -5.917 -6.401 -5.093) 10.096 6.907 ( 3.843 4.728 2.591) 6.621 6.966 ( 4.371 -1.214 -1.221) 4.698 7.206 ( 0.506 5.692 -1.437) 5.892 7.279 ( -0.430 0.909 -5.326) 5.420 7.280 ( 1.536 2.851 3.087) 4.474 7.329 ( 1.850 0.412 2.436) 3.087 8.077 ( -5.158 5.341 2.365) 7.792 8.211 ( -2.582 -7.792 0.062) 8.209 8.480 ( 2.585 4.297 -0.873) 5.090 8.514 ( 1.829 1.835 0.606) 2.661 8.749 ( 4.136 0.247 -2.957) 5.091 8.776 ( 2.511 -1.600 -0.779) 3.078 8.967 ( 2.685 1.439 1.859) 3.569 8.981 ( 0.925 0.847 -0.489) 1.346 9.121 ( -0.241 3.352 -2.796) 4.372 9.156 ( 4.806 0.181 3.863) 6.169 9.496 ( 4.514 1.644 0.958) 4.899 9.539 ( 11.866 -4.404 1.929) 12.803 9.578 ( 1.179 -4.738 4.487) 6.631 9.640 ( -4.536 -6.721 -9.341) 12.369 9.807 ( 0.965 -0.541 2.971) 3.170 9.913 ( -3.519 -10.864 -1.136) 11.476 10.288 ( -1.048 2.037 -0.699) 2.395 10.311 ( 0.330 0.290 -1.749) 1.803 10.622 ( -1.804 3.723 -1.419) 4.374 10.725 ( -0.782 -5.952 3.107) 6.760 10.762 ( 1.217 6.054 -6.136) 8.705 10.908 ( -3.906 -8.450 -5.757) 10.945 11.399 ( 0.243 1.660 0.806) 1.861 11.433 ( 0.444 -1.706 2.001) 2.667 12.424 ( 2.911 9.145 -0.597) 9.615 12.558 ( 0.333 -4.388 -2.592) 5.107 12.883 ( 1.943 6.754 1.216) 7.132 12.938 ( 2.987 0.899 1.167) 3.330 13.611 ( -8.866 3.005 2.387) 9.661 13.683 ( -10.208 -4.581 1.094) 11.242 14.275 ( -0.332 1.080 -3.687) 3.856 14.309 ( -0.564 -2.264 -2.170) 3.186 19.458 ( -1.386 1.493 4.966) 5.367 19.496 ( -1.481 -2.313 6.194) 6.775 19.760 ( -1.671 3.638 5.960) 7.180 19.827 ( -3.248 -3.619 7.151) 8.648 20.652 ( -0.794 2.069 3.851) 4.443 20.721 ( -1.288 -4.971 3.798) 6.387 21.083 ( 0.616 6.103 0.244) 6.139 21.195 ( 1.265 -5.197 -1.325) 5.510 22.117 ( -0.988 6.764 1.258) 6.950 22.288 ( -1.434 -10.817 1.206) 10.978 23.019 ( 5.624 2.051 -6.396) 8.760 23.038 ( 3.126 -0.336 -5.209) 6.085 23.487 ( 0.971 2.708 0.990) 3.043 23.553 ( 1.934 -3.856 -0.307) 4.325 24.226 ( -2.407 4.592 -2.690) 5.841 24.279 ( -1.019 -0.764 -3.276) 3.514 ======================= Grid point 70 (33/72) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -4.757 0.000 27.385) 27.795 1.306 ( 5.041 0.000 28.479) 28.921 2.036 ( -5.363 0.000 21.840) 22.489 2.133 ( -0.350 0.000 14.370) 14.375 2.426 ( 2.882 0.000 -7.292) 7.840 2.512 ( 6.376 0.000 33.703) 34.300 2.536 ( 0.814 0.000 3.570) 3.661 2.567 ( -5.624 0.000 4.572) 7.248 2.666 ( 9.695 0.000 -4.859) 10.845 2.753 ( 0.421 0.000 -6.859) 6.872 2.818 ( 6.317 0.000 3.002) 6.994 2.889 ( -10.854 0.000 0.003) 10.854 3.001 ( 2.178 0.000 3.107) 3.794 3.041 ( 6.072 0.000 -2.547) 6.584 3.087 ( 5.711 0.000 7.589) 9.498 3.145 ( 3.751 0.000 4.910) 6.179 3.455 ( -3.273 0.000 -8.918) 9.500 3.482 ( -5.829 0.000 1.827) 6.109 3.673 ( 3.064 0.000 -8.353) 8.897 3.808 ( 0.648 0.000 -7.921) 7.947 3.995 ( 0.899 0.000 -12.918) 12.949 4.037 ( -2.640 0.000 4.194) 4.956 4.144 ( 1.318 0.000 -0.323) 1.357 4.152 ( -0.726 0.000 7.528) 7.563 4.367 ( -2.073 0.000 5.703) 6.068 4.620 ( -10.339 0.000 -8.413) 13.330 4.670 ( -4.491 0.000 -3.077) 5.444 4.768 ( 1.121 0.000 -5.163) 5.283 5.075 ( 2.741 0.000 -3.282) 4.276 5.126 ( -4.061 0.000 -7.029) 8.118 5.134 ( -0.947 0.000 2.147) 2.347 5.225 ( -6.702 0.000 -10.076) 12.101 5.226 ( -5.517 0.000 1.367) 5.684 5.566 ( -2.565 0.000 -8.177) 8.570 5.656 ( 0.797 0.000 6.180) 6.231 5.856 ( 4.503 0.000 -4.185) 6.147 5.971 ( 4.633 0.000 2.977) 5.507 6.034 ( 0.753 0.000 2.860) 2.958 6.131 ( -0.854 0.000 -1.862) 2.048 6.440 ( 5.230 0.000 -8.981) 10.392 6.454 ( 2.803 0.000 0.888) 2.940 6.552 ( 1.228 0.000 -10.694) 10.765 6.652 ( -9.600 0.000 -3.806) 10.327 6.778 ( 11.703 0.000 -0.805) 11.731 7.025 ( 0.136 0.000 2.166) 2.170 7.030 ( 0.274 0.000 3.508) 3.519 7.240 ( -0.472 0.000 5.384) 5.404 7.256 ( -0.026 0.000 7.756) 7.756 8.106 ( -5.227 0.000 8.192) 9.717 8.321 ( 3.650 0.000 -0.471) 3.680 8.343 ( -5.795 0.000 0.390) 5.808 8.507 ( -1.720 0.000 4.069) 4.418 8.727 ( 6.345 0.000 -0.795) 6.394 8.883 ( 1.289 0.000 -4.754) 4.926 8.958 ( -6.994 0.000 7.915) 10.562 9.046 ( 7.153 0.000 1.634) 7.338 9.096 ( 5.086 0.000 -1.071) 5.198 9.219 ( -6.731 0.000 1.053) 6.813 9.291 ( 2.257 0.000 3.451) 4.123 9.468 ( 6.121 0.000 -10.241) 11.931 9.770 ( 1.681 0.000 -13.726) 13.828 9.771 ( -0.529 0.000 -5.177) 5.204 9.995 ( -2.996 0.000 -4.105) 5.082 10.286 ( -2.250 0.000 -12.326) 12.529 10.289 ( 7.173 0.000 5.068) 8.783 10.652 ( 10.153 0.000 -5.639) 11.614 10.855 ( 5.282 0.000 6.267) 8.197 10.925 ( -4.684 0.000 -1.829) 5.029 10.930 ( -7.019 0.000 -1.359) 7.149 11.165 ( -12.298 0.000 1.950) 12.452 11.233 ( -2.379 0.000 0.125) 2.382 11.355 ( -8.461 0.000 -7.735) 11.464 12.230 ( 8.551 0.000 4.747) 9.780 12.291 ( 0.907 0.000 0.572) 1.072 12.347 ( -3.223 0.000 3.526) 4.778 12.871 ( 14.685 0.000 -8.468) 16.951 13.520 ( -5.029 0.000 9.291) 10.565 13.865 ( -3.282 0.000 11.535) 11.993 14.191 ( 0.516 0.000 -7.565) 7.583 14.281 ( 1.369 0.000 -2.118) 2.522 19.601 ( 0.942 0.000 6.582) 6.649 19.701 ( 2.875 0.000 7.997) 8.498 19.808 ( -4.978 0.000 8.265) 9.648 20.128 ( -22.672 0.000 -3.015) 22.872 20.896 ( 0.870 0.000 6.722) 6.779 20.935 ( -4.710 0.000 8.633) 9.834 21.188 ( 2.175 0.000 -4.713) 5.191 21.639 ( 10.334 0.000 -11.603) 15.538 21.973 ( -0.581 0.000 1.302) 1.425 22.272 ( 7.277 0.000 -1.284) 7.390 22.893 ( -2.098 0.000 1.838) 2.789 23.086 ( 9.294 0.000 -1.770) 9.461 23.552 ( 1.150 0.000 -2.237) 2.516 23.553 ( -6.971 0.000 -4.563) 8.332 23.779 ( -0.525 0.000 2.837) 2.885 24.008 ( 1.524 0.000 -3.892) 4.180 ======================= Grid point 71 (34/72) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 2.112 0.000 24.198) 24.290 1.645 ( 9.535 0.000 24.284) 26.089 1.992 ( -8.720 0.000 13.369) 15.962 2.172 ( -5.383 0.000 15.237) 16.160 2.280 ( -19.004 0.000 1.725) 19.082 2.428 ( -24.275 0.000 -2.559) 24.409 2.495 ( 4.849 0.000 -7.886) 9.257 2.566 ( -1.502 0.000 -3.871) 4.152 2.695 ( -3.382 0.000 0.089) 3.384 2.711 ( 0.049 0.000 0.477) 0.479 2.930 ( 9.448 0.000 11.415) 14.817 2.965 ( 5.787 0.000 -7.281) 9.301 3.074 ( 0.387 0.000 3.363) 3.385 3.112 ( 3.818 0.000 -5.244) 6.486 3.246 ( -0.619 0.000 -0.235) 0.662 3.299 ( -2.005 0.000 5.284) 5.652 3.387 ( 10.358 0.000 12.423) 16.175 3.410 ( -5.356 0.000 -0.761) 5.410 3.731 ( -2.661 0.000 -9.704) 10.062 3.742 ( 8.948 0.000 5.280) 10.390 3.887 ( -3.316 0.000 -14.777) 15.144 3.980 ( -14.556 0.000 2.087) 14.705 4.109 ( 4.169 0.000 3.242) 5.282 4.160 ( -1.545 0.000 5.921) 6.119 4.416 ( 2.369 0.000 5.686) 6.159 4.527 ( 2.658 0.000 9.832) 10.185 4.553 ( -1.535 0.000 -5.094) 5.320 4.666 ( -2.571 0.000 -4.847) 5.487 4.899 ( -9.378 0.000 -2.369) 9.673 4.986 ( -2.019 0.000 0.929) 2.222 5.068 ( -2.618 0.000 -8.452) 8.848 5.195 ( 0.626 0.000 0.139) 0.641 5.369 ( 9.801 0.000 -8.265) 12.820 5.541 ( 1.894 0.000 -0.881) 2.089 5.764 ( 6.517 0.000 2.954) 7.155 5.926 ( 0.983 0.000 -1.639) 1.911 6.023 ( -0.768 0.000 1.945) 2.091 6.033 ( 3.905 0.000 -5.747) 6.948 6.165 ( 3.764 0.000 -6.083) 7.153 6.370 ( -2.776 0.000 -7.318) 7.827 6.574 ( 5.330 0.000 0.775) 5.386 6.598 ( 2.476 0.000 -8.845) 9.185 6.632 ( 11.142 0.000 1.479) 11.240 6.771 ( -3.440 0.000 -6.808) 7.628 6.885 ( -8.250 0.000 -0.356) 8.258 7.125 ( 1.994 0.000 5.891) 6.220 7.202 ( -4.830 0.000 2.992) 5.682 7.370 ( 2.288 0.000 4.621) 5.156 8.098 ( -0.899 0.000 9.603) 9.644 8.316 ( 1.488 0.000 1.425) 2.060 8.366 ( -0.256 0.000 -0.201) 0.326 8.467 ( -3.580 0.000 1.599) 3.921 8.688 ( -8.862 0.000 3.447) 9.509 8.848 ( -0.455 0.000 -4.587) 4.609 8.958 ( 3.045 0.000 1.899) 3.589 9.012 ( -7.459 0.000 3.413) 8.202 9.158 ( -0.756 0.000 1.336) 1.535 9.298 ( -4.851 0.000 3.968) 6.267 9.352 ( 15.270 0.000 -2.091) 15.413 9.559 ( 6.423 0.000 -8.203) 10.418 9.691 ( -2.307 0.000 -4.919) 5.434 9.707 ( 1.579 0.000 -13.496) 13.588 9.913 ( -0.589 0.000 -5.176) 5.209 10.169 ( -0.589 0.000 -12.368) 12.382 10.480 ( 6.912 0.000 4.743) 8.383 10.579 ( -8.909 0.000 -8.549) 12.348 10.739 ( -8.736 0.000 -1.070) 8.801 10.876 ( -5.556 0.000 1.291) 5.705 11.025 ( 6.934 0.000 10.343) 12.452 11.102 ( -3.112 0.000 1.777) 3.583 11.124 ( 8.340 0.000 2.902) 8.830 11.397 ( 6.757 0.000 -0.328) 6.765 12.231 ( -4.302 0.000 -1.567) 4.578 12.308 ( -1.706 0.000 -3.408) 3.811 12.402 ( 0.423 0.000 5.152) 5.170 12.821 ( -5.086 0.000 -7.913) 9.407 13.697 ( 5.521 0.000 9.486) 10.976 13.847 ( -0.930 0.000 6.811) 6.874 14.168 ( 2.863 0.000 -7.919) 8.421 14.307 ( 1.683 0.000 -1.900) 2.538 19.659 ( -0.774 0.000 6.031) 6.080 19.735 ( -9.581 0.000 1.569) 9.708 19.780 ( -2.375 0.000 10.239) 10.510 19.873 ( 2.013 0.000 13.286) 13.437 20.872 ( -6.154 0.000 7.436) 9.653 20.943 ( -0.444 0.000 5.841) 5.858 21.209 ( 3.154 0.000 -6.363) 7.102 21.608 ( -3.129 0.000 -10.324) 10.788 21.971 ( -0.514 0.000 1.471) 1.558 22.335 ( 0.741 0.000 -4.146) 4.212 22.859 ( -1.768 0.000 1.711) 2.460 23.216 ( 1.813 0.000 -8.217) 8.414 23.472 ( 3.728 0.000 -0.244) 3.736 23.574 ( 1.756 0.000 -1.521) 2.323 23.786 ( -0.559 0.000 2.517) 2.578 24.024 ( 2.190 0.000 -4.229) 4.763 ======================= Grid point 72 (35/72) ======================= q-point: (-0.60 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.652 ( -4.026 0.000 5.472) 6.794 1.775 ( -7.977 0.000 9.391) 12.322 1.818 ( -24.130 0.000 1.145) 24.157 1.964 ( 5.110 0.000 15.027) 15.873 1.974 ( -10.135 0.000 3.119) 10.604 2.144 ( -3.174 0.000 13.268) 13.642 2.482 ( -0.781 0.000 -5.421) 5.476 2.523 ( -0.735 0.000 -1.293) 1.487 2.652 ( -3.543 0.000 1.098) 3.709 2.692 ( -3.613 0.000 2.230) 4.245 2.844 ( -8.718 0.000 -6.500) 10.874 2.887 ( -6.284 0.000 -5.247) 8.187 3.103 ( -2.386 0.000 -0.553) 2.449 3.118 ( -2.748 0.000 -7.235) 7.739 3.203 ( -1.619 0.000 -3.811) 4.140 3.336 ( 6.752 0.000 -9.613) 11.747 3.364 ( 0.932 0.000 -0.283) 0.974 3.487 ( -12.827 0.000 13.667) 18.743 3.662 ( 7.184 0.000 -4.070) 8.257 3.840 ( 0.655 0.000 -0.559) 0.861 3.892 ( -1.457 0.000 6.204) 6.373 3.937 ( 9.935 0.000 9.349) 13.642 4.099 ( -0.948 0.000 -1.306) 1.613 4.275 ( 2.659 0.000 5.602) 6.202 4.429 ( -1.176 0.000 4.581) 4.730 4.585 ( 0.194 0.000 2.395) 2.403 4.671 ( 5.727 0.000 -3.687) 6.811 4.749 ( 4.909 0.000 11.650) 12.642 4.798 ( 2.817 0.000 11.310) 11.655 4.956 ( -1.939 0.000 -5.650) 5.974 5.049 ( 5.271 0.000 1.853) 5.587 5.267 ( 5.273 0.000 0.786) 5.331 5.401 ( -0.012 0.000 -5.788) 5.788 5.572 ( -0.814 0.000 5.188) 5.252 5.871 ( -2.497 0.000 -3.186) 4.048 5.890 ( 5.689 0.000 -8.622) 10.330 6.042 ( 0.700 0.000 -3.917) 3.979 6.134 ( 8.485 0.000 -9.745) 12.921 6.202 ( 3.312 0.000 2.972) 4.450 6.265 ( -2.912 0.000 -2.733) 3.993 6.519 ( -4.370 0.000 -8.027) 9.139 6.572 ( -0.712 0.000 -9.139) 9.166 6.762 ( -2.542 0.000 4.495) 5.164 6.793 ( 1.910 0.000 -2.955) 3.518 6.931 ( 12.821 0.000 4.157) 13.478 7.086 ( -2.342 0.000 -7.831) 8.174 7.158 ( -4.038 0.000 8.449) 9.364 7.344 ( -5.872 0.000 -0.471) 5.891 8.176 ( 2.073 0.000 9.097) 9.330 8.277 ( -4.953 0.000 -1.363) 5.137 8.357 ( -1.261 0.000 0.758) 1.472 8.448 ( 0.181 0.000 1.632) 1.642 8.595 ( 1.961 0.000 3.959) 4.418 8.811 ( -0.678 0.000 -5.212) 5.256 8.897 ( -5.313 0.000 6.021) 8.030 9.018 ( 0.229 0.000 1.233) 1.254 9.134 ( -2.867 0.000 2.749) 3.973 9.168 ( -7.425 0.000 4.344) 8.602 9.504 ( 0.371 0.000 -5.219) 5.232 9.587 ( 2.442 0.000 -9.640) 9.944 9.656 ( -0.496 0.000 -8.397) 8.411 9.779 ( 12.620 0.000 -6.169) 14.047 9.921 ( 5.160 0.000 -8.465) 9.914 10.109 ( 2.951 0.000 -10.014) 10.440 10.352 ( -6.081 0.000 -3.758) 7.148 10.534 ( -7.417 0.000 0.382) 7.427 10.639 ( 3.546 0.000 0.575) 3.593 10.777 ( -4.557 0.000 1.129) 4.695 11.215 ( 4.914 0.000 8.779) 10.061 11.243 ( 11.466 0.000 10.237) 15.371 11.327 ( 6.434 0.000 3.939) 7.544 11.490 ( 0.647 0.000 1.459) 1.596 12.120 ( -6.383 0.000 0.162) 6.385 12.137 ( -8.328 0.000 -8.877) 12.172 12.379 ( -1.998 0.000 -1.065) 2.264 12.728 ( -0.718 0.000 -5.842) 5.886 13.697 ( -6.707 0.000 13.759) 15.307 13.976 ( 5.326 0.000 -0.147) 5.328 14.197 ( 3.357 0.000 -5.831) 6.729 14.320 ( 1.367 0.000 -3.003) 3.300 19.594 ( -5.007 0.000 4.059) 6.446 19.633 ( -3.906 0.000 4.406) 5.888 19.838 ( -0.862 0.000 13.025) 13.054 20.094 ( 9.272 0.000 15.445) 18.015 20.793 ( -4.760 0.000 5.623) 7.367 20.960 ( -1.249 0.000 5.262) 5.408 21.212 ( 1.730 0.000 -11.373) 11.504 21.449 ( -5.302 0.000 -7.539) 9.216 21.972 ( -0.307 0.000 1.480) 1.512 22.283 ( -2.557 0.000 -3.986) 4.735 22.853 ( -0.000 0.000 2.248) 2.248 23.135 ( -2.730 0.000 -5.945) 6.542 23.593 ( 0.821 0.000 -1.361) 1.590 23.604 ( 7.297 0.000 -2.703) 7.781 23.786 ( -1.017 0.000 2.510) 2.708 24.033 ( 1.410 0.000 -4.508) 4.724 ======================= Grid point 73 (36/72) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -20.695 0.000 10.965) 23.420 1.351 ( -20.987 0.000 7.928) 22.434 1.837 ( -3.183 0.000 1.230) 3.412 2.000 ( -2.351 0.000 5.527) 6.006 2.158 ( 14.987 0.000 12.328) 19.406 2.278 ( 4.343 0.000 6.854) 8.114 2.475 ( -6.719 0.000 -4.724) 8.213 2.498 ( 2.788 0.000 4.576) 5.358 2.527 ( -6.785 0.000 16.993) 18.298 2.615 ( -3.134 0.000 8.162) 8.743 2.682 ( -4.802 0.000 -1.800) 5.128 2.787 ( 0.167 0.000 -5.763) 5.765 2.993 ( -6.778 0.000 -0.355) 6.788 3.012 ( -1.683 0.000 -4.454) 4.761 3.163 ( 0.231 0.000 -5.421) 5.426 3.198 ( -6.252 0.000 5.708) 8.466 3.468 ( 10.248 0.000 -10.406) 14.605 3.532 ( 3.723 0.000 -5.178) 6.378 3.763 ( 5.742 0.000 -9.046) 10.714 3.811 ( -7.686 0.000 2.817) 8.186 3.900 ( 5.746 0.000 -0.871) 5.811 4.082 ( -0.311 0.000 -0.327) 0.451 4.189 ( 7.002 0.000 5.898) 9.155 4.285 ( -4.709 0.000 7.367) 8.743 4.463 ( -2.834 0.000 7.925) 8.417 4.571 ( -3.844 0.000 -0.723) 3.912 4.645 ( 1.077 0.000 -1.224) 1.630 4.841 ( -1.137 0.000 -2.327) 2.590 4.955 ( 4.015 0.000 6.290) 7.462 5.068 ( 9.544 0.000 2.584) 9.887 5.248 ( 7.743 0.000 10.015) 12.659 5.352 ( 0.885 0.000 1.752) 1.963 5.373 ( 1.742 0.000 -4.682) 4.995 5.609 ( 1.499 0.000 7.381) 7.532 5.779 ( -4.306 0.000 -1.408) 4.530 5.874 ( -0.955 0.000 -9.298) 9.346 6.041 ( 2.255 0.000 1.631) 2.783 6.187 ( 3.440 0.000 -12.960) 13.409 6.284 ( -5.237 0.000 2.930) 6.001 6.298 ( 2.208 0.000 0.943) 2.401 6.350 ( -3.602 0.000 -6.481) 7.415 6.499 ( 4.251 0.000 -9.404) 10.320 6.631 ( -8.142 0.000 -0.860) 8.187 6.783 ( -0.467 0.000 -8.936) 8.948 7.026 ( -0.398 0.000 -0.283) 0.488 7.109 ( -3.250 0.000 3.402) 4.705 7.150 ( -0.604 0.000 -0.050) 0.607 7.224 ( 0.428 0.000 5.002) 5.020 8.218 ( -0.260 0.000 -0.090) 0.275 8.281 ( -4.773 0.000 3.137) 5.712 8.310 ( 4.764 0.000 8.220) 9.500 8.472 ( 0.557 0.000 2.840) 2.894 8.738 ( 5.211 0.000 -9.527) 10.859 8.779 ( 1.912 0.000 -4.704) 5.078 8.852 ( -1.341 0.000 0.651) 1.491 8.949 ( -2.505 0.000 5.216) 5.786 9.094 ( -4.150 0.000 8.030) 9.039 9.157 ( 0.047 0.000 7.608) 7.608 9.458 ( -1.429 0.000 -4.428) 4.653 9.567 ( -2.570 0.000 -5.021) 5.641 9.600 ( 5.847 0.000 -8.823) 10.585 9.809 ( 0.768 0.000 -15.169) 15.188 9.975 ( 4.783 0.000 -9.179) 10.351 10.265 ( 13.206 0.000 -9.445) 16.236 10.328 ( 2.556 0.000 5.173) 5.769 10.362 ( -7.996 0.000 0.041) 7.996 10.695 ( -2.866 0.000 -0.442) 2.900 10.750 ( 5.921 0.000 1.221) 6.045 11.326 ( -0.744 0.000 1.576) 1.743 11.404 ( -4.469 0.000 -0.841) 4.548 11.415 ( -0.302 0.000 9.694) 9.699 11.655 ( 14.048 0.000 12.469) 18.784 11.939 ( -3.807 0.000 -4.579) 5.955 11.965 ( -5.866 0.000 -2.024) 6.205 12.367 ( 0.790 0.000 0.531) 0.952 12.644 ( -3.251 0.000 -9.848) 10.370 13.694 ( -2.477 0.000 15.779) 15.973 13.986 ( -3.810 0.000 -2.736) 4.690 14.208 ( 1.235 0.000 -4.756) 4.914 14.327 ( 1.032 0.000 -3.705) 3.846 19.564 ( -1.133 0.000 5.444) 5.560 19.582 ( -3.356 0.000 4.304) 5.458 19.878 ( -3.533 0.000 12.212) 12.713 20.490 ( 18.922 0.000 18.040) 26.143 20.771 ( -0.764 0.000 5.654) 5.705 20.964 ( -1.863 0.000 6.094) 6.372 21.078 ( -5.882 0.000 -19.294) 20.171 21.323 ( -2.638 0.000 -5.319) 5.937 21.976 ( -0.271 0.000 1.328) 1.356 22.198 ( -3.159 0.000 -1.780) 3.626 22.880 ( 0.773 0.000 2.590) 2.703 23.049 ( -2.153 0.000 -4.283) 4.793 23.588 ( -0.268 0.000 -1.913) 1.932 23.706 ( 4.376 0.000 -5.042) 6.676 23.777 ( -1.368 0.000 2.822) 3.137 24.027 ( 0.837 0.000 -4.143) 4.227 ======================= Grid point 74 (37/72) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -1.288 0.000 30.543) 30.570 1.141 ( -7.309 0.000 22.266) 23.434 1.915 ( 4.705 0.000 12.627) 13.476 2.032 ( 1.941 0.000 6.686) 6.962 2.355 ( -12.029 0.000 30.512) 32.798 2.409 ( 4.476 0.000 -1.718) 4.795 2.464 ( 7.073 0.000 6.150) 9.372 2.467 ( 1.540 0.000 12.627) 12.721 2.517 ( 0.631 0.000 -2.801) 2.871 2.693 ( 2.884 0.000 5.257) 5.996 2.752 ( 2.059 0.000 7.917) 8.180 2.832 ( 8.307 0.000 -4.033) 9.234 2.915 ( 3.466 0.000 -6.180) 7.086 2.992 ( 1.584 0.000 -2.569) 3.018 3.125 ( -0.553 0.000 -3.956) 3.995 3.134 ( -5.629 0.000 4.838) 7.423 3.536 ( 1.251 0.000 -9.294) 9.378 3.596 ( 6.271 0.000 -8.035) 10.192 3.645 ( -7.232 0.000 0.456) 7.246 3.802 ( 4.793 0.000 -10.210) 11.279 4.005 ( 5.323 0.000 -6.709) 8.565 4.082 ( 0.994 0.000 -3.016) 3.175 4.189 ( -9.874 0.000 12.138) 15.647 4.194 ( -6.815 0.000 -1.071) 6.899 4.403 ( -5.393 0.000 7.800) 9.483 4.594 ( 8.724 0.000 2.532) 9.084 4.711 ( 3.002 0.000 -2.478) 3.892 4.794 ( -2.122 0.000 -5.090) 5.515 5.023 ( 0.729 0.000 -1.167) 1.376 5.149 ( 0.012 0.000 -0.380) 0.380 5.317 ( -3.984 0.000 -1.115) 4.137 5.353 ( -2.925 0.000 0.893) 3.058 5.437 ( -1.296 0.000 -0.068) 1.298 5.650 ( 0.194 0.000 -5.035) 5.039 5.705 ( -9.730 0.000 -5.343) 11.100 5.782 ( 5.163 0.000 2.310) 5.656 6.001 ( -9.978 0.000 -5.997) 11.641 6.032 ( -4.540 0.000 -2.994) 5.438 6.156 ( 2.066 0.000 1.560) 2.589 6.378 ( 7.019 0.000 -9.067) 11.467 6.426 ( 8.171 0.000 6.808) 10.635 6.490 ( -3.558 0.000 3.024) 4.670 6.567 ( 3.840 0.000 -13.718) 14.245 6.828 ( 9.782 0.000 3.730) 10.469 6.961 ( -12.807 0.000 -3.049) 13.165 7.033 ( -1.239 0.000 3.075) 3.315 7.145 ( 4.433 0.000 4.494) 6.313 7.289 ( -2.523 0.000 6.530) 7.001 8.187 ( -6.657 0.000 6.546) 9.336 8.248 ( 2.934 0.000 -0.230) 2.943 8.470 ( 2.720 0.000 0.816) 2.840 8.500 ( -0.261 0.000 4.040) 4.048 8.617 ( -2.864 0.000 -5.417) 6.127 8.836 ( 5.317 0.000 -4.637) 7.055 8.883 ( 5.947 0.000 -3.172) 6.740 9.014 ( -0.209 0.000 3.887) 3.893 9.067 ( -3.108 0.000 8.543) 9.091 9.207 ( 2.141 0.000 3.765) 4.331 9.363 ( -5.584 0.000 -2.397) 6.076 9.481 ( -1.564 0.000 -5.821) 6.028 9.746 ( 9.612 0.000 -8.963) 13.142 9.776 ( 3.778 0.000 -10.346) 11.014 10.008 ( 3.790 0.000 -5.009) 6.281 10.224 ( -4.002 0.000 -0.134) 4.004 10.382 ( -1.289 0.000 -0.476) 1.374 10.445 ( 11.817 0.000 -10.316) 15.686 10.715 ( 4.629 0.000 1.808) 4.970 10.885 ( 5.702 0.000 0.844) 5.764 11.165 ( -11.680 0.000 -1.124) 11.734 11.308 ( -4.257 0.000 0.366) 4.273 11.398 ( -8.953 0.000 4.529) 10.034 11.637 ( -8.748 0.000 -9.221) 12.711 11.985 ( 8.206 0.000 3.972) 9.116 12.241 ( 14.617 0.000 10.779) 18.161 12.381 ( -0.972 0.000 2.124) 2.336 12.506 ( 3.903 0.000 -8.669) 9.507 13.733 ( -9.879 0.000 8.626) 13.115 13.831 ( -3.733 0.000 5.461) 6.615 14.205 ( 1.497 0.000 -4.348) 4.598 14.303 ( -0.632 0.000 -4.425) 4.470 19.563 ( -1.162 0.000 5.107) 5.238 19.608 ( 1.232 0.000 7.007) 7.114 19.857 ( -5.061 0.000 9.782) 11.014 20.675 ( -19.715 0.000 -15.597) 25.139 20.824 ( 1.359 0.000 6.945) 7.076 20.960 ( -2.909 0.000 7.578) 8.118 21.089 ( 20.752 0.000 1.311) 20.794 21.302 ( 9.727 0.000 -2.146) 9.961 21.976 ( -0.454 0.000 1.201) 1.284 22.162 ( 0.786 0.000 1.545) 1.734 22.905 ( -0.289 0.000 2.400) 2.417 23.000 ( 0.087 0.000 -1.448) 1.451 23.562 ( -0.458 0.000 -2.539) 2.580 23.698 ( -1.678 0.000 -7.235) 7.427 23.773 ( -0.847 0.000 3.080) 3.194 24.015 ( 0.554 0.000 -4.017) 4.055 ======================= Grid point 75 (38/72) ======================= q-point: ( 0.00 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 0.147 -3.538 25.749) 25.991 1.371 ( -3.873 6.194 25.014) 26.059 1.887 ( -0.527 -7.277 12.032) 14.071 2.215 ( -2.878 1.812 8.816) 9.449 2.426 ( -0.553 -5.021 -2.623) 5.692 2.480 ( 6.633 -4.040 -4.813) 9.137 2.565 ( -2.568 0.140 15.156) 15.373 2.593 ( 6.935 -2.090 -1.034) 7.317 2.670 ( -1.553 -4.168 2.460) 5.083 2.734 ( 0.077 6.673 2.982) 7.310 2.800 ( 1.911 4.478 3.830) 6.194 2.916 ( 6.447 -4.353 -2.731) 8.244 2.945 ( -9.560 1.472 3.078) 10.151 3.029 ( 6.544 5.802 13.346) 15.957 3.145 ( 0.291 3.244 4.896) 5.881 3.209 ( 2.945 5.072 -1.945) 6.179 3.433 ( -0.682 -2.385 2.388) 3.444 3.568 ( -3.187 5.995 -3.942) 7.851 3.677 ( -3.182 3.244 -5.267) 6.956 3.886 ( 0.211 3.002 -4.201) 5.167 3.988 ( 2.931 -0.848 -5.687) 6.454 4.055 ( -2.367 -1.335 5.326) 5.979 4.091 ( 0.076 0.429 -1.766) 1.819 4.198 ( 3.001 2.620 -1.197) 4.159 4.407 ( 0.152 5.368 1.244) 5.513 4.621 ( -5.675 -0.514 -2.946) 6.414 4.656 ( -3.755 -0.024 -0.069) 3.756 4.851 ( -0.447 7.431 -4.156) 8.526 4.881 ( -0.263 -11.124 -2.070) 11.318 5.083 ( -6.252 -2.534 -0.214) 6.749 5.179 ( -3.251 3.039 0.461) 4.474 5.260 ( 2.412 4.629 -5.026) 7.246 5.384 ( -4.371 6.640 -4.454) 9.112 5.536 ( -3.713 -1.985 -8.212) 9.228 5.648 ( 0.186 -1.604 7.405) 7.579 5.884 ( -0.593 3.231 -4.698) 5.732 5.974 ( 7.864 1.412 0.389) 7.999 6.085 ( 3.916 1.881 0.095) 4.346 6.175 ( -3.871 3.895 1.477) 5.687 6.396 ( 3.170 -4.629 -0.790) 5.666 6.470 ( 5.533 -3.731 -3.461) 7.518 6.516 ( 0.758 1.444 -8.806) 8.956 6.638 ( -5.338 -0.793 -3.122) 6.234 6.776 ( 7.227 0.298 -3.151) 7.889 6.998 ( -2.618 -0.458 2.532) 3.671 7.078 ( 3.515 3.235 -1.025) 4.886 7.183 ( 2.207 -4.432 3.856) 6.275 7.302 ( -3.879 2.725 6.438) 7.995 8.094 ( -3.718 -0.711 7.447) 8.353 8.325 ( 0.497 -0.542 -0.691) 1.009 8.371 ( -4.163 2.671 -0.489) 4.971 8.485 ( -0.722 -0.908 2.969) 3.188 8.707 ( 6.673 -2.436 1.871) 7.346 8.862 ( -2.619 -1.453 -1.811) 3.500 8.955 ( -0.314 -1.768 1.707) 2.478 8.994 ( 3.003 -3.482 0.322) 4.609 9.062 ( 0.232 -2.514 0.490) 2.572 9.182 ( -0.482 -0.513 -0.271) 0.754 9.343 ( 2.252 0.900 -0.767) 2.544 9.536 ( -2.582 3.257 -5.804) 7.139 9.673 ( 2.946 -2.370 -6.894) 7.863 9.831 ( 3.001 1.702 -7.036) 7.836 10.051 ( -2.056 5.014 -5.155) 7.480 10.166 ( 1.315 -6.050 -7.489) 9.717 10.357 ( 5.640 1.718 1.117) 6.001 10.632 ( 8.025 -2.165 -6.520) 10.564 10.705 ( 1.517 -15.551 3.468) 16.005 10.813 ( 1.889 -4.698 7.018) 8.654 10.922 ( -12.719 -5.587 -3.533) 14.334 11.072 ( -8.804 -9.505 -0.347) 12.961 11.189 ( 0.052 -0.260 1.519) 1.542 11.380 ( -6.343 1.629 -4.869) 8.161 12.359 ( 2.168 7.905 0.511) 8.213 12.389 ( 3.123 8.558 6.113) 10.970 12.421 ( 0.916 10.129 -0.610) 10.188 12.882 ( 9.344 0.773 -8.065) 12.367 13.539 ( -3.815 1.754 9.170) 10.086 13.802 ( -3.985 -5.007 9.978) 11.854 14.194 ( 1.673 -0.807 -5.421) 5.731 14.298 ( 1.545 1.386 -4.641) 5.083 19.588 ( 0.533 -0.700 6.880) 6.936 19.725 ( 2.310 1.598 7.442) 7.954 19.816 ( -4.373 0.931 7.696) 8.900 20.099 ( -18.190 -2.830 0.804) 18.426 20.884 ( -2.324 -4.125 6.937) 8.399 20.916 ( -0.156 1.546 6.758) 6.935 21.132 ( 0.925 -7.115 -2.481) 7.592 21.412 ( 7.872 -12.262 -0.686) 14.588 22.010 ( -0.805 1.893 1.107) 2.336 22.457 ( 5.876 12.679 -11.361) 18.010 22.775 ( -1.417 -10.636 2.007) 10.916 23.020 ( 4.034 -4.699 -3.280) 7.008 23.515 ( -2.791 -1.831 -1.002) 3.485 23.632 ( 2.576 4.023 -3.880) 6.154 23.873 ( -2.166 7.702 1.308) 8.107 24.059 ( 2.164 5.211 -3.770) 6.786 ======================= Grid point 76 (39/72) ======================= q-point: ( 0.20 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 1.292 -4.092 21.737) 22.156 1.551 ( 4.374 -3.033 22.720) 23.336 1.940 ( -2.600 -1.756 9.662) 10.158 2.118 ( -11.930 -5.405 8.649) 15.695 2.318 ( -7.954 -8.933 -7.454) 14.094 2.404 ( -12.382 5.659 0.078) 13.614 2.452 ( -6.823 -6.292 -3.699) 9.991 2.610 ( -5.395 6.763 -0.477) 8.664 2.702 ( 2.740 -2.093 -0.691) 3.516 2.776 ( 1.576 3.303 -1.130) 3.830 2.858 ( 6.365 -9.294 -2.397) 11.517 2.915 ( 5.209 -1.567 6.111) 8.182 2.963 ( -0.484 -3.644 -3.163) 4.849 3.118 ( -4.895 1.674 1.956) 5.531 3.253 ( 4.101 0.062 -3.916) 5.670 3.294 ( 3.529 -1.809 17.516) 17.959 3.477 ( -7.149 7.605 -5.617) 11.853 3.504 ( -1.245 6.689 9.924) 12.032 3.586 ( 7.719 0.142 5.209) 9.313 3.913 ( -1.077 3.828 -7.495) 8.484 3.995 ( -1.828 1.639 3.996) 4.690 4.008 ( -4.570 8.994 -5.966) 11.720 4.118 ( -2.427 -1.464 1.971) 3.452 4.179 ( 3.216 5.387 2.334) 6.694 4.424 ( -0.722 1.893 3.311) 3.882 4.551 ( 1.645 2.439 -2.240) 3.698 4.623 ( 1.545 5.447 5.797) 8.103 4.748 ( -3.563 6.924 1.580) 7.946 4.810 ( -5.425 -2.919 -0.728) 6.204 4.962 ( -0.735 -3.558 -4.102) 5.480 5.133 ( -2.779 7.015 -0.797) 7.587 5.266 ( -1.300 4.385 -6.218) 7.719 5.378 ( 6.921 0.885 -6.795) 9.739 5.499 ( 2.798 -3.098 -0.366) 4.190 5.708 ( 1.336 -4.881 5.712) 7.632 5.880 ( 2.968 -2.031 -4.622) 5.856 6.076 ( -3.562 4.297 -0.998) 5.670 6.118 ( 2.448 3.396 -4.161) 5.902 6.169 ( 5.845 2.821 -4.495) 7.894 6.401 ( -2.013 1.833 -5.544) 6.176 6.516 ( 6.686 -4.920 0.354) 8.309 6.563 ( 0.617 -2.477 -4.834) 5.466 6.676 ( 9.889 2.244 1.765) 10.292 6.751 ( -1.493 -0.813 -6.363) 6.586 6.902 ( -5.589 1.327 -2.681) 6.339 7.140 ( 2.414 0.459 -0.898) 2.616 7.195 ( -5.169 0.118 6.874) 8.602 7.326 ( 0.995 -4.301 3.516) 5.643 8.102 ( -0.154 0.573 8.062) 8.084 8.315 ( -0.729 0.252 1.534) 1.717 8.362 ( -0.162 -0.277 1.049) 1.097 8.467 ( -1.176 0.172 1.660) 2.042 8.709 ( -9.438 0.550 3.010) 9.921 8.807 ( 2.690 -1.759 -1.970) 3.769 8.929 ( -6.452 -1.794 2.756) 7.242 9.010 ( 4.506 -3.070 -2.207) 5.883 9.146 ( -2.043 -1.041 0.793) 2.426 9.234 ( 11.226 -9.256 -2.601) 14.780 9.309 ( -5.474 -0.677 1.523) 5.723 9.471 ( -1.622 -4.433 -3.753) 6.031 9.701 ( 3.803 2.156 -8.001) 9.118 9.850 ( 4.082 7.312 -5.674) 10.115 9.961 ( -1.101 6.030 -7.664) 9.814 10.105 ( -0.384 -5.669 -10.922) 12.312 10.458 ( -4.378 -3.861 -2.807) 6.477 10.545 ( 0.753 -3.048 -0.371) 3.161 10.666 ( -7.751 -4.530 1.097) 9.045 10.865 ( 1.056 -11.678 3.462) 12.226 10.966 ( 6.493 -0.728 3.557) 7.440 10.994 ( -7.384 -1.396 2.299) 7.859 11.058 ( 4.992 -6.518 2.977) 8.733 11.450 ( 7.983 2.206 0.242) 8.286 12.306 ( -6.504 6.173 -2.395) 9.282 12.424 ( 0.273 10.743 -0.577) 10.762 12.493 ( 1.232 8.556 2.190) 8.917 12.811 ( -4.868 -1.055 -6.508) 8.195 13.709 ( 4.481 1.092 8.980) 10.095 13.799 ( 1.931 -3.473 6.938) 7.995 14.190 ( 2.174 0.651 -7.110) 7.463 14.308 ( 1.870 0.354 -3.894) 4.334 19.647 ( -0.198 -0.994 6.995) 7.068 19.733 ( -8.170 -0.430 3.281) 8.814 19.784 ( -2.606 1.115 7.674) 8.181 19.922 ( 0.508 3.988 12.556) 13.184 20.842 ( -5.364 -2.929 6.515) 8.932 20.952 ( -0.398 0.941 5.347) 5.444 21.144 ( 1.624 -6.820 -3.065) 7.652 21.450 ( -0.907 -11.576 -6.130) 13.130 22.001 ( -0.940 2.370 1.968) 3.221 22.455 ( 0.930 9.630 -8.626) 12.962 22.768 ( -0.368 -9.066 1.317) 9.169 23.077 ( 2.947 -9.852 -5.650) 11.733 23.443 ( -2.308 0.584 0.383) 2.411 23.656 ( 1.677 0.812 -2.825) 3.384 23.886 ( 1.931 10.326 0.705) 10.528 24.083 ( 2.277 5.366 -4.081) 7.116 ======================= Grid point 77 (40/72) ======================= q-point: (-0.60 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -10.803 -7.944 2.443) 13.630 1.616 ( -4.587 -12.184 9.398) 16.056 1.830 ( 1.985 0.968 14.019) 14.192 1.965 ( -21.189 4.131 7.264) 22.778 2.112 ( 4.113 3.304 7.530) 9.195 2.220 ( -6.718 8.266 3.274) 11.144 2.325 ( -1.840 -11.538 -2.091) 11.870 2.561 ( -0.183 3.828 -5.560) 6.753 2.718 ( -1.911 -1.095 -5.219) 5.664 2.765 ( -0.507 2.869 1.086) 3.109 2.842 ( -3.195 10.488 2.264) 11.196 2.962 ( -1.208 -9.269 -5.877) 11.041 3.044 ( 1.523 -3.904 -0.910) 4.288 3.054 ( 0.689 -2.050 1.912) 2.887 3.152 ( -10.346 3.500 -9.171) 14.261 3.297 ( 1.494 2.609 -5.694) 6.439 3.428 ( 1.920 1.420 5.187) 5.711 3.545 ( -16.422 4.076 9.825) 19.565 3.711 ( 4.694 3.767 -3.873) 7.157 3.807 ( 4.943 -0.476 11.892) 12.887 3.988 ( 3.340 3.031 -1.442) 4.735 3.999 ( -0.977 6.656 4.391) 8.034 4.089 ( -1.446 -1.565 2.021) 2.937 4.282 ( 3.191 1.987 0.577) 3.803 4.401 ( -0.949 -0.312 3.371) 3.516 4.591 ( -2.344 -1.052 -0.002) 2.569 4.672 ( 5.506 1.128 -2.866) 6.309 4.766 ( 0.482 1.040 6.353) 6.455 4.879 ( 5.615 6.741 12.876) 15.581 4.985 ( 4.526 3.640 -1.159) 5.923 5.086 ( -0.377 4.763 -0.525) 4.807 5.290 ( 4.886 1.993 -1.060) 5.383 5.383 ( -0.783 -1.879 -4.914) 5.319 5.574 ( 1.067 0.485 7.295) 7.388 5.756 ( 1.241 -8.530 -2.062) 8.863 5.890 ( 0.873 -2.351 -9.699) 10.018 5.989 ( -1.420 -1.980 -3.544) 4.301 6.156 ( 1.967 -4.008 3.342) 5.577 6.252 ( 5.968 8.409 -9.260) 13.859 6.318 ( -1.873 4.476 -4.955) 6.935 6.472 ( -3.035 -3.675 -7.277) 8.699 6.581 ( 0.095 -0.244 -5.409) 5.416 6.755 ( -2.902 -0.692 2.291) 3.762 6.828 ( 3.854 3.193 -3.743) 6.250 6.949 ( 10.212 1.455 3.689) 10.955 7.091 ( -1.024 -0.145 -5.441) 5.539 7.146 ( -3.929 -0.673 3.837) 5.533 7.316 ( -3.802 -2.694 3.392) 5.763 8.176 ( 1.757 0.291 7.365) 7.577 8.298 ( -3.163 1.158 0.348) 3.386 8.330 ( -0.424 -0.364 1.752) 1.839 8.464 ( -3.334 1.065 1.515) 3.814 8.643 ( 4.434 3.596 4.523) 7.283 8.795 ( -4.637 -1.410 -2.093) 5.279 8.847 ( -0.098 -2.850 2.538) 3.817 9.044 ( -1.796 1.090 0.207) 2.111 9.105 ( -1.959 -2.904 3.000) 4.612 9.170 ( -7.222 -0.687 1.657) 7.441 9.394 ( 2.343 -10.040 -6.754) 12.325 9.465 ( 6.872 -7.298 -4.447) 10.967 9.697 ( -0.188 4.102 -5.881) 7.173 9.907 ( -0.233 5.357 -10.162) 11.490 9.914 ( 5.117 0.202 -8.318) 9.768 10.101 ( 8.184 -0.775 -5.425) 9.849 10.250 ( -7.610 -6.716 -3.369) 10.694 10.556 ( -4.432 0.743 0.655) 4.542 10.612 ( 3.080 -4.415 -1.255) 5.527 10.771 ( -9.340 -2.825 -0.074) 9.759 10.961 ( 3.243 -13.362 7.835) 15.826 11.194 ( 10.499 -3.248 7.056) 13.060 11.266 ( 7.297 -7.242 2.894) 10.680 11.579 ( 2.029 1.563 3.222) 4.116 12.083 ( -10.697 5.816 -3.870) 12.776 12.396 ( -1.707 15.641 -2.359) 15.910 12.491 ( -0.445 9.735 -2.168) 9.983 12.722 ( -1.170 -0.752 -4.251) 4.472 13.717 ( -4.771 2.072 11.442) 12.569 13.961 ( 5.144 -1.301 1.255) 5.453 14.199 ( 2.372 -0.226 -5.857) 6.323 14.319 ( 1.778 -0.064 -4.114) 4.482 19.600 ( -5.473 0.602 4.706) 7.243 19.650 ( -3.086 1.407 4.521) 5.651 19.822 ( -0.503 -1.050 11.233) 11.294 20.094 ( 6.169 -0.406 14.257) 15.540 20.771 ( -4.273 -2.114 4.855) 6.804 20.971 ( -0.936 1.096 4.981) 5.185 21.142 ( 0.139 -6.951 -4.847) 8.475 21.346 ( -3.822 -7.656 -7.369) 11.293 21.999 ( -0.531 2.416 2.175) 3.294 22.406 ( -0.273 10.211 -7.490) 12.666 22.780 ( 0.409 -7.661 1.928) 7.911 23.060 ( -0.456 -6.956 -5.328) 8.774 23.450 ( 1.912 -3.327 1.326) 4.060 23.656 ( -0.260 -2.052 -2.246) 3.053 23.936 ( 2.600 11.600 -1.072) 11.936 24.091 ( 1.027 5.105 -4.317) 6.764 ======================= Grid point 78 (41/72) ======================= q-point: (-0.40 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -12.343 4.595 15.828) 20.591 1.485 ( -22.078 8.723 7.154) 24.794 1.753 ( 2.161 -4.519 6.485) 8.195 2.091 ( 10.563 -4.752 11.345) 16.214 2.125 ( -2.518 7.700 1.489) 8.237 2.285 ( 4.315 -2.207 4.652) 6.718 2.358 ( 4.784 -1.892 4.085) 6.569 2.511 ( -0.713 4.969 -3.061) 5.880 2.592 ( -6.588 -0.187 -2.217) 6.954 2.742 ( -3.988 6.594 6.213) 9.898 2.791 ( -1.679 9.629 -4.593) 10.799 2.847 ( -4.026 1.527 -1.264) 4.488 2.964 ( -5.764 -2.263 -1.629) 6.403 3.001 ( -2.730 6.114 3.431) 7.523 3.077 ( 1.757 -3.033 -2.577) 4.351 3.242 ( -8.317 2.816 8.508) 12.227 3.372 ( 8.659 -5.707 -6.018) 11.990 3.638 ( 5.449 5.023 -0.718) 7.446 3.759 ( 2.334 0.021 -4.230) 4.831 3.827 ( -2.412 0.047 0.359) 2.440 4.005 ( -0.036 5.852 2.012) 6.189 4.083 ( -0.337 1.240 0.956) 1.601 4.111 ( 4.314 -5.793 4.357) 8.436 4.304 ( -2.480 0.760 0.915) 2.750 4.459 ( 1.122 1.649 5.405) 5.762 4.545 ( -1.352 -1.232 -2.489) 3.089 4.735 ( 3.257 3.099 -4.375) 6.273 4.763 ( -1.145 -5.172 1.025) 5.396 5.015 ( -0.284 4.834 -1.420) 5.046 5.076 ( 2.091 4.047 7.003) 8.354 5.175 ( 4.715 -3.840 8.944) 10.815 5.352 ( 1.603 -0.157 2.233) 2.753 5.413 ( 5.456 -0.183 -1.537) 5.671 5.645 ( 0.312 3.833 8.739) 9.548 5.726 ( -2.601 -4.858 -1.855) 5.814 5.800 ( -1.548 -6.959 -9.193) 11.633 6.007 ( 3.544 -2.768 1.057) 4.620 6.200 ( -0.413 -0.484 -6.384) 6.416 6.229 ( -1.208 -3.549 -0.318) 3.762 6.314 ( -1.622 0.793 -0.917) 2.025 6.366 ( -2.056 0.536 -8.241) 8.511 6.537 ( 3.525 3.232 -8.880) 10.086 6.652 ( -6.419 2.461 1.221) 6.982 6.799 ( -0.914 1.686 -7.625) 7.863 7.028 ( 1.270 1.489 -3.455) 3.971 7.090 ( -1.766 -1.968 -0.319) 2.664 7.197 ( -1.471 3.880 3.044) 5.146 7.262 ( 1.791 2.981 6.557) 7.422 8.199 ( -3.383 -1.205 2.510) 4.381 8.317 ( 4.169 1.729 3.390) 5.645 8.335 ( -0.702 3.566 5.105) 6.267 8.430 ( -0.734 -2.709 3.396) 4.406 8.701 ( -1.929 -4.012 -5.273) 6.901 8.800 ( 5.652 3.280 -6.539) 9.245 8.852 ( -0.176 -0.064 0.687) 0.712 8.986 ( -2.125 2.039 3.750) 4.768 9.089 ( -2.739 -0.258 6.916) 7.443 9.129 ( 1.273 -2.598 8.431) 8.914 9.381 ( -1.095 -4.513 -5.833) 7.456 9.549 ( 7.072 -5.246 -8.300) 12.101 9.636 ( -0.287 1.879 -6.292) 6.573 9.788 ( -2.137 0.625 -10.339) 10.576 9.990 ( 6.708 -0.448 -10.618) 12.567 10.167 ( -1.070 -8.315 3.241) 8.988 10.301 ( 10.003 1.173 -4.335) 10.965 10.459 ( -4.573 5.374 -2.246) 7.405 10.605 ( -4.324 -8.158 -0.167) 9.235 10.688 ( 4.100 -8.331 1.108) 9.351 11.072 ( 2.144 -13.332 8.111) 15.752 11.320 ( -1.312 -7.484 -1.531) 7.751 11.468 ( 7.285 -6.801 3.866) 10.690 11.536 ( -7.461 -3.316 1.601) 8.320 11.960 ( 2.400 11.488 5.965) 13.165 12.319 ( -2.925 19.767 -4.303) 20.441 12.483 ( 0.296 9.190 -1.230) 9.277 12.664 ( -0.975 2.197 -6.835) 7.245 13.719 ( -2.543 2.219 12.989) 13.420 13.975 ( -3.944 -1.200 -1.778) 4.490 14.197 ( 0.996 -0.965 -4.778) 4.975 14.325 ( 1.025 -0.353 -4.021) 4.164 19.553 ( -2.664 -0.126 5.565) 6.171 19.619 ( -2.003 2.622 4.456) 5.544 19.867 ( -2.874 -0.976 11.458) 11.853 20.362 ( 10.271 -11.634 13.026) 20.261 20.748 ( -1.056 -1.610 5.348) 5.684 20.967 ( -3.075 1.268 1.895) 3.828 21.080 ( -1.919 -2.465 -2.906) 4.267 21.227 ( -2.812 -5.198 -5.807) 8.285 22.006 ( -0.009 2.190 1.687) 2.765 22.361 ( 1.185 13.240 -7.452) 15.239 22.803 ( 0.143 -7.974 2.230) 8.281 23.013 ( -0.704 -3.241 -4.190) 5.344 23.515 ( 2.933 -4.784 1.671) 5.855 23.618 ( -1.554 -2.701 -2.927) 4.276 23.970 ( 1.371 10.496 -2.310) 10.834 24.073 ( 0.107 4.502 -4.178) 6.143 ======================= Grid point 79 (42/72) ======================= q-point: (-0.20 0.14 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -12.524 4.574 18.300) 22.642 1.257 ( -0.610 11.780 27.219) 29.665 1.831 ( 0.221 -2.813 6.395) 6.990 2.150 ( 1.216 6.055 8.335) 10.374 2.305 ( 6.818 -12.363 0.317) 14.122 2.428 ( 6.403 2.924 -1.806) 7.267 2.490 ( -3.021 -0.816 13.424) 13.784 2.521 ( 0.479 5.941 10.410) 11.996 2.551 ( 8.127 6.494 4.795) 11.455 2.692 ( -3.906 6.979 9.251) 12.229 2.787 ( 4.278 -1.459 -5.310) 6.974 2.812 ( -0.130 -1.285 4.057) 4.258 2.859 ( 0.444 -1.790 -6.515) 6.771 3.041 ( 1.568 2.727 1.662) 3.558 3.118 ( 1.958 7.439 1.785) 7.897 3.180 ( -3.266 2.348 4.945) 6.374 3.484 ( 2.740 -5.369 -4.464) 7.501 3.649 ( -3.379 3.328 -1.458) 4.961 3.688 ( 0.411 4.976 -6.011) 7.814 3.899 ( 7.545 5.110 -6.819) 11.382 3.998 ( -1.636 -1.605 -2.096) 3.106 4.064 ( -2.668 -3.004 3.287) 5.191 4.172 ( -2.790 -3.338 1.451) 4.586 4.204 ( -4.940 3.640 -0.686) 6.174 4.412 ( -1.917 3.410 -1.211) 4.095 4.560 ( 3.010 -2.766 2.678) 4.887 4.758 ( 1.363 -1.322 -5.103) 5.445 4.829 ( 5.096 4.667 -0.525) 6.930 4.926 ( -5.172 -8.384 -1.890) 10.031 5.126 ( -1.089 6.538 3.341) 7.423 5.253 ( -0.227 -2.966 1.058) 3.157 5.352 ( -4.869 -2.504 -0.943) 5.556 5.534 ( 3.245 -3.771 4.559) 6.747 5.563 ( -8.069 3.644 -3.216) 9.420 5.694 ( -2.004 -4.909 -3.540) 6.376 5.785 ( 4.718 0.716 -0.234) 4.778 5.985 ( -3.191 0.293 0.553) 3.251 6.107 ( -5.864 2.843 -6.456) 9.173 6.223 ( -0.216 3.917 -0.105) 3.925 6.342 ( 9.235 -2.379 0.352) 9.543 6.410 ( 6.917 -2.845 3.168) 8.122 6.445 ( -3.424 -4.569 -5.247) 7.755 6.581 ( 0.632 4.257 -10.166) 11.040 6.879 ( 8.802 4.179 3.219) 10.261 6.950 ( -10.781 -0.570 -3.784) 11.440 7.040 ( -0.208 1.581 1.120) 1.949 7.149 ( 0.388 1.365 0.430) 1.483 7.341 ( -1.880 3.629 6.389) 7.585 8.140 ( -4.386 -2.209 5.300) 7.225 8.327 ( -0.315 4.586 0.186) 4.600 8.443 ( -0.458 -2.602 4.455) 5.179 8.468 ( 3.556 -1.475 1.403) 4.097 8.610 ( -1.706 -0.465 -4.359) 4.704 8.842 ( 3.774 0.080 -4.135) 5.599 8.871 ( 4.606 -0.725 -3.279) 5.700 8.998 ( -1.813 -1.042 5.041) 5.458 9.083 ( -2.570 0.984 7.222) 7.729 9.223 ( -0.475 0.764 0.932) 1.296 9.284 ( 0.669 -2.778 -4.244) 5.116 9.623 ( 0.169 6.563 -4.202) 7.795 9.684 ( 0.680 -6.062 -9.501) 11.291 9.731 ( 10.362 -0.913 -6.189) 12.104 10.054 ( 4.665 2.669 -5.199) 7.478 10.173 ( -0.866 -4.642 -0.336) 4.734 10.330 ( -2.127 -4.783 -1.902) 5.569 10.442 ( 7.376 -0.070 -5.180) 9.013 10.631 ( 5.162 -7.531 -0.094) 9.131 10.781 ( 1.405 -9.740 4.415) 10.785 11.141 ( 0.596 -6.631 2.691) 7.181 11.193 ( -8.550 -7.227 -4.006) 11.890 11.296 ( -11.120 -8.603 -1.723) 14.165 11.551 ( -3.111 -0.840 0.077) 3.223 12.203 ( 8.345 5.874 8.205) 13.095 12.306 ( 6.487 16.324 0.909) 17.589 12.434 ( -3.777 5.239 -2.089) 6.788 12.658 ( 7.157 10.643 -5.195) 13.838 13.724 ( -9.673 -0.841 8.481) 12.892 13.818 ( -5.496 -1.343 3.999) 6.928 14.191 ( 1.383 -1.301 -4.242) 4.647 14.308 ( 0.417 0.221 -4.516) 4.541 19.551 ( -1.069 -0.367 5.931) 6.037 19.643 ( 0.809 2.513 6.343) 6.871 19.855 ( -4.419 -0.079 9.227) 10.231 20.468 ( -10.280 -18.384 -3.467) 21.347 20.825 ( 3.697 -5.163 8.499) 10.609 20.885 ( -1.662 3.932 3.382) 5.446 21.133 ( 1.791 -10.713 4.233) 11.657 21.183 ( 6.101 4.119 -0.612) 7.387 22.015 ( -0.173 1.760 0.901) 1.985 22.380 ( 6.095 15.853 -9.204) 19.318 22.801 ( -1.712 -9.317 1.949) 9.672 22.988 ( 0.767 -1.502 -2.522) 3.034 23.559 ( -1.016 -5.329 -1.373) 5.596 23.592 ( 2.637 1.256 -1.339) 3.213 23.944 ( -2.568 8.304 -2.300) 8.991 24.053 ( 0.768 4.613 -3.879) 6.076 ======================= Grid point 80 (43/72) ======================= q-point: ( 0.00 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -4.474 2.531 14.669) 15.544 1.534 ( -3.847 9.781 15.026) 18.337 1.841 ( 0.484 2.352 4.014) 4.677 2.085 ( 3.819 -19.013 -9.248) 21.485 2.217 ( -3.426 -3.934 0.424) 5.233 2.392 ( -1.085 -10.080 0.740) 10.165 2.525 ( 0.534 -2.235 7.645) 7.983 2.565 ( 0.979 0.058 -4.557) 4.662 2.621 ( -2.719 0.189 -0.065) 2.726 2.771 ( 2.838 -0.228 -4.409) 5.248 2.895 ( 2.266 2.553 -3.996) 5.256 2.985 ( -6.713 0.267 2.773) 7.269 3.008 ( -1.194 4.673 5.591) 7.384 3.121 ( -4.877 3.709 5.343) 8.129 3.220 ( -5.321 1.380 0.479) 5.518 3.358 ( 1.243 19.042 16.726) 25.375 3.489 ( 4.992 6.719 4.190) 9.360 3.652 ( -0.697 2.165 -2.764) 3.580 3.750 ( -3.481 -0.645 3.353) 4.876 3.837 ( -2.716 -2.652 3.002) 4.839 3.901 ( 5.254 -4.353 3.635) 7.731 4.054 ( -1.635 -0.743 3.494) 3.929 4.204 ( 4.619 9.169 -4.230) 11.104 4.258 ( 5.408 3.299 -4.314) 7.664 4.506 ( 4.753 0.946 -1.993) 5.240 4.606 ( 1.859 -0.275 3.280) 3.780 4.692 ( -4.470 1.936 -0.391) 4.886 4.734 ( -1.610 -0.853 -0.535) 1.899 5.001 ( -1.580 6.961 -1.524) 7.299 5.098 ( -7.033 2.730 3.326) 8.245 5.227 ( -2.002 1.010 -1.814) 2.884 5.332 ( 2.978 4.168 -5.279) 7.356 5.467 ( 2.926 1.402 -1.753) 3.688 5.519 ( -7.487 1.891 -5.025) 9.213 5.598 ( -0.796 -2.603 7.607) 8.080 5.956 ( -0.646 -1.784 -4.406) 4.797 5.971 ( 8.513 0.995 1.922) 8.784 6.107 ( 3.414 0.703 1.105) 3.657 6.201 ( -0.915 -5.908 1.096) 6.078 6.277 ( 3.025 -0.928 2.253) 3.884 6.366 ( 1.851 -5.401 0.813) 5.767 6.545 ( 5.104 -0.467 -1.321) 5.293 6.699 ( -2.061 7.475 -9.195) 12.028 6.792 ( -0.330 1.154 -4.207) 4.375 6.999 ( -2.196 -0.063 -2.286) 3.170 7.086 ( 0.280 -4.989 0.359) 5.010 7.166 ( 2.329 5.675 -3.258) 6.946 7.338 ( -4.420 0.746 1.719) 4.801 8.095 ( -1.983 0.865 6.162) 6.531 8.282 ( 0.897 -3.805 -0.797) 3.989 8.433 ( -3.292 3.620 -2.639) 5.559 8.489 ( -0.626 0.804 -1.226) 1.594 8.648 ( 1.920 -2.928 6.509) 7.391 8.816 ( -0.123 -3.762 -2.571) 4.558 8.900 ( 1.357 -2.158 -4.848) 5.478 8.972 ( -2.219 1.396 -2.651) 3.728 9.048 ( -2.290 0.728 2.405) 3.400 9.163 ( -1.970 -2.839 -1.900) 3.944 9.310 ( 1.161 -2.220 -2.193) 3.329 9.504 ( -1.775 -3.492 -0.907) 4.020 9.675 ( 3.368 -0.896 -3.727) 5.103 9.902 ( 2.996 4.380 -3.903) 6.587 10.074 ( 2.032 -1.824 -4.891) 5.601 10.151 ( 0.647 3.143 -0.653) 3.274 10.373 ( 7.807 0.404 1.621) 7.984 10.420 ( -1.269 -10.895 5.533) 12.285 10.571 ( 3.773 -5.135 -8.293) 10.458 10.662 ( 2.238 -10.510 2.832) 11.113 10.786 ( -3.248 -4.780 0.602) 5.811 10.908 ( -6.922 -7.226 -0.932) 10.049 11.228 ( -0.831 3.191 -0.290) 3.311 11.386 ( -4.997 -0.982 -2.685) 5.757 12.506 ( 0.799 7.177 1.617) 7.400 12.541 ( 4.134 7.803 4.256) 9.803 12.665 ( 2.243 11.517 -2.779) 12.058 12.887 ( 0.287 -0.316 -5.885) 5.900 13.578 ( -1.663 2.055 8.548) 8.947 13.711 ( -3.442 -4.034 7.929) 9.539 14.170 ( 1.853 -0.882 -4.599) 5.036 14.300 ( 2.282 -1.588 -5.996) 6.609 19.589 ( -0.343 0.871 7.249) 7.309 19.732 ( -0.257 -1.357 7.790) 7.912 19.850 ( -2.655 2.678 6.076) 7.151 20.036 ( -8.045 -3.241 6.124) 10.617 20.801 ( -1.542 -3.595 6.615) 7.685 20.937 ( -0.794 -6.869 5.398) 8.772 20.980 ( -0.071 1.377 0.356) 1.424 21.271 ( 1.838 -5.001 -1.545) 5.548 22.059 ( -0.893 3.670 2.870) 4.744 22.528 ( 0.565 -11.069 -0.276) 11.087 22.677 ( 1.652 7.185 -11.033) 13.270 22.940 ( 1.483 -3.617 -6.371) 7.475 23.502 ( -0.795 0.443 0.790) 1.205 23.642 ( 1.411 -2.203 -2.802) 3.833 24.037 ( 0.567 8.337 0.134) 8.358 24.165 ( 2.043 4.492 -3.545) 6.076 ======================= Grid point 81 (44/72) ======================= q-point: ( 0.20 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -0.882 -5.256 14.159) 15.128 1.640 ( 2.715 8.606 15.462) 17.903 1.887 ( -10.590 -11.783 -0.070) 15.843 1.986 ( -0.795 -3.791 4.049) 5.603 2.101 ( 0.867 -5.879 -3.218) 6.758 2.395 ( -12.319 -1.680 -5.305) 13.517 2.470 ( 0.589 -3.305 1.994) 3.905 2.558 ( -2.563 -3.030 0.844) 4.058 2.611 ( 2.070 -9.715 3.609) 10.568 2.751 ( -1.704 -1.706 -1.432) 2.804 2.829 ( -0.588 3.914 -0.476) 3.986 2.872 ( -0.415 -1.201 -4.602) 4.774 3.007 ( 1.118 -2.467 3.780) 4.650 3.066 ( -4.292 0.276 -6.306) 7.633 3.237 ( 2.573 0.150 1.776) 3.130 3.424 ( -4.897 11.835 14.230) 19.145 3.610 ( 2.953 6.090 4.319) 8.029 3.644 ( -1.056 5.000 -0.498) 5.135 3.657 ( -1.606 4.103 8.799) 9.840 3.883 ( -1.473 -3.263 8.929) 9.620 3.995 ( -0.691 1.236 5.172) 5.362 4.122 ( 3.131 -0.067 3.311) 4.557 4.199 ( 0.008 7.107 -8.949) 11.428 4.281 ( -3.817 5.920 -1.680) 7.242 4.472 ( -4.828 2.627 0.948) 5.577 4.641 ( 2.141 6.524 -5.354) 8.707 4.711 ( -1.035 -3.710 1.405) 4.099 4.724 ( 4.870 4.329 6.934) 9.515 4.944 ( -2.776 8.745 -2.377) 9.478 5.035 ( -0.308 9.418 2.023) 9.638 5.213 ( 2.250 1.199 0.330) 2.571 5.327 ( -2.570 2.145 -7.455) 8.172 5.384 ( 1.628 -0.500 -4.264) 4.592 5.504 ( 1.525 4.838 0.412) 5.089 5.603 ( -2.285 -5.268 5.845) 8.194 5.874 ( 0.324 0.840 -6.793) 6.853 6.083 ( -3.784 -3.921 -0.421) 5.466 6.149 ( -3.824 1.602 -3.597) 5.489 6.288 ( 14.560 3.872 0.786) 15.087 6.364 ( 1.870 -5.093 -1.880) 5.741 6.414 ( 1.595 -1.969 -0.167) 2.539 6.586 ( -4.383 3.704 -5.173) 7.726 6.667 ( 9.225 -2.034 1.732) 9.604 6.773 ( 2.604 2.842 -4.609) 6.008 6.926 ( -1.367 0.819 -3.202) 3.577 7.109 ( 1.471 -4.295 -1.962) 4.946 7.213 ( -0.047 0.474 4.349) 4.375 7.232 ( -6.017 -3.680 -1.491) 7.209 8.129 ( 1.846 2.524 4.643) 5.597 8.343 ( -3.550 2.699 0.984) 4.567 8.367 ( 3.639 1.246 3.249) 5.035 8.461 ( 0.990 -1.402 -0.653) 1.836 8.652 ( -6.336 -4.710 1.649) 8.065 8.834 ( 0.479 0.667 3.764) 3.852 8.846 ( 1.320 -5.975 -2.139) 6.482 8.978 ( -0.192 0.569 0.129) 0.615 9.043 ( 5.603 -5.828 -5.567) 9.816 9.114 ( -3.093 -4.916 1.759) 6.069 9.242 ( -4.668 -3.976 -5.096) 7.974 9.436 ( -5.130 -0.374 1.252) 5.293 9.745 ( 3.588 1.463 0.336) 3.889 9.930 ( 1.886 -3.442 -5.475) 6.737 10.002 ( -3.384 2.344 -7.317) 8.395 10.132 ( 0.862 8.530 -7.611) 11.464 10.339 ( -7.368 -6.497 -1.217) 9.898 10.445 ( -0.191 -6.730 -0.487) 6.751 10.593 ( 2.563 -6.238 3.675) 7.680 10.686 ( -5.755 -2.148 -2.927) 6.804 10.860 ( 4.184 -4.798 2.037) 6.684 10.875 ( 8.942 -10.729 1.144) 14.014 11.124 ( -4.374 7.226 0.895) 8.494 11.444 ( 6.564 -2.490 1.518) 7.182 12.446 ( -6.961 7.866 -0.962) 10.548 12.631 ( 2.113 9.548 1.296) 9.865 12.678 ( 0.810 9.010 -2.281) 9.329 12.776 ( -4.460 -2.695 -3.123) 6.075 13.728 ( 1.369 0.554 7.639) 7.780 13.755 ( 7.683 -0.784 6.741) 10.251 14.181 ( 2.239 -0.602 -5.446) 5.919 14.305 ( 2.321 -1.252 -6.853) 7.342 19.632 ( -0.510 -0.291 7.694) 7.716 19.711 ( -5.978 -1.791 5.908) 8.593 19.833 ( -2.397 3.803 5.287) 6.940 19.989 ( -0.874 2.230 9.927) 10.212 20.777 ( -3.849 -3.083 4.929) 6.973 20.965 ( -0.898 -6.417 6.631) 9.272 20.990 ( 0.616 -0.813 0.760) 1.272 21.264 ( -0.238 -7.681 -4.882) 9.104 22.062 ( -0.830 4.196 3.170) 5.324 22.546 ( 0.994 -11.921 0.485) 11.972 22.634 ( 0.952 7.614 -9.248) 12.017 22.932 ( 1.745 -5.364 -6.004) 8.238 23.470 ( -2.278 1.828 0.649) 2.992 23.627 ( -0.594 -2.747 -1.928) 3.408 24.084 ( 3.270 8.815 -1.341) 9.497 24.188 ( 2.150 4.610 -3.900) 6.410 ======================= Grid point 82 (45/72) ======================= q-point: (-0.60 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 4.397 -7.325 9.356) 12.670 1.498 ( -15.766 -3.142 7.887) 17.906 1.849 ( 2.640 1.213 10.136) 10.545 1.987 ( -6.683 0.333 6.068) 9.033 2.120 ( -7.348 -4.398 1.258) 8.655 2.217 ( 8.509 2.510 -1.666) 9.027 2.386 ( -6.774 9.186 6.101) 12.942 2.604 ( -1.931 -7.414 1.149) 7.747 2.648 ( 9.945 -7.634 -4.829) 13.435 2.704 ( -2.104 0.942 -5.792) 6.234 2.871 ( 3.715 -2.356 -1.001) 4.511 2.890 ( -0.901 -2.668 0.149) 2.820 2.980 ( 3.562 0.033 -0.182) 3.567 3.063 ( -2.816 1.960 1.506) 3.747 3.291 ( 3.523 3.750 2.738) 5.829 3.398 ( 0.418 3.552 5.430) 6.502 3.497 ( -9.528 13.296 -7.480) 17.986 3.648 ( -15.394 5.712 8.379) 18.434 3.722 ( 2.969 -3.985 0.752) 5.026 3.826 ( -0.809 -1.344 8.301) 8.448 4.044 ( -4.370 7.900 14.859) 17.387 4.055 ( -2.934 -1.625 -3.358) 4.746 4.091 ( -1.742 3.600 2.374) 4.651 4.308 ( 2.945 -1.502 -2.958) 4.436 4.436 ( 2.642 0.799 -6.866) 7.400 4.590 ( -2.109 2.124 -2.924) 4.185 4.693 ( -0.923 3.937 -3.355) 5.254 4.831 ( -0.239 3.336 8.935) 9.540 4.980 ( 4.845 3.802 0.224) 6.163 5.105 ( 4.473 8.251 2.430) 9.695 5.204 ( -1.443 4.569 1.423) 4.998 5.301 ( 0.258 -2.930 -4.027) 4.987 5.376 ( 2.162 4.238 -2.199) 5.241 5.586 ( -0.225 -8.440 -1.334) 8.548 5.605 ( 2.351 3.099 9.559) 10.321 5.841 ( -0.638 -1.737 -7.620) 7.842 5.967 ( -4.687 -0.503 -3.140) 5.664 6.070 ( -0.382 -4.446 1.076) 4.590 6.337 ( -0.246 -2.535 -12.518) 12.775 6.383 ( -0.479 -3.197 -4.465) 5.512 6.448 ( -3.663 6.177 -0.168) 7.184 6.583 ( 7.994 2.490 -3.610) 9.118 6.747 ( -3.614 0.401 0.442) 3.662 6.893 ( 6.586 3.086 -4.311) 8.455 6.968 ( 3.944 -0.135 0.685) 4.006 7.056 ( -1.986 -2.947 -0.811) 3.645 7.147 ( 2.480 0.181 -1.315) 2.813 7.251 ( -0.080 -3.767 7.985) 8.830 8.205 ( 1.201 3.173 5.002) 6.044 8.315 ( -0.518 2.075 2.285) 3.130 8.378 ( -0.530 3.793 1.780) 4.223 8.478 ( -5.175 -0.047 0.178) 5.178 8.667 ( 8.105 -2.289 8.574) 12.018 8.759 ( -4.414 -0.075 0.519) 4.445 8.881 ( -1.541 5.926 -3.099) 6.863 8.997 ( 1.561 -6.208 1.700) 6.623 9.058 ( -3.703 -2.668 4.964) 6.743 9.125 ( -2.725 -2.998 -5.109) 6.521 9.195 ( 8.901 -9.519 -4.595) 13.819 9.344 ( 0.031 -4.768 -1.442) 4.982 9.785 ( -1.488 3.242 -2.372) 4.284 9.872 ( -4.086 -5.979 -1.189) 7.339 9.899 ( -1.059 -2.190 -8.959) 9.284 10.118 ( -0.199 0.837 -5.941) 6.002 10.193 ( 1.347 0.624 -4.900) 5.120 10.455 ( -0.373 -6.662 2.288) 7.054 10.534 ( -3.454 -8.205 -5.898) 10.679 10.674 ( -1.301 2.016 3.283) 4.066 10.845 ( -0.983 -4.390 -0.121) 4.500 11.072 ( 6.581 -11.514 -1.956) 13.405 11.206 ( 7.663 4.088 5.587) 10.327 11.539 ( 0.008 -4.320 2.891) 5.199 12.266 ( -7.079 10.918 -0.560) 13.024 12.652 ( -0.682 2.834 -2.621) 3.920 12.669 ( 0.444 10.923 -2.396) 11.191 12.722 ( 0.259 4.358 -0.339) 4.379 13.771 ( -1.488 3.271 7.280) 8.119 13.932 ( 4.055 -1.778 3.049) 5.376 14.190 ( 1.889 -0.168 -5.513) 5.830 14.310 ( 2.086 -1.262 -5.967) 6.446 19.613 ( -5.369 0.639 5.948) 8.039 19.664 ( -1.879 -0.382 6.220) 6.508 19.831 ( -1.360 2.470 6.953) 7.504 20.066 ( 0.800 -2.578 10.009) 10.367 20.732 ( -2.815 -1.204 4.539) 5.475 20.977 ( -2.034 -6.591 6.419) 9.423 21.008 ( 0.112 0.208 2.037) 2.051 21.214 ( -0.407 -5.933 -6.883) 9.096 22.064 ( -0.898 4.571 3.139) 5.617 22.559 ( 0.659 -6.957 -3.299) 7.727 22.616 ( 1.994 3.818 -3.781) 5.731 22.936 ( 2.025 -5.250 -4.975) 7.511 23.443 ( -0.396 1.392 1.062) 1.795 23.599 ( -1.004 -3.300 -1.721) 3.855 24.130 ( 2.199 7.942 -2.938) 8.749 24.192 ( 0.788 4.664 -4.269) 6.372 ======================= Grid point 83 (46/72) ======================= q-point: (-0.40 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( -6.471 5.925 18.974) 20.904 1.562 ( 1.164 -2.074 7.204) 7.586 1.736 ( -6.651 4.526 9.432) 12.397 2.002 ( -1.482 -4.502 6.377) 7.945 2.190 ( 9.585 2.619 2.349) 10.210 2.268 ( 1.534 1.372 -3.557) 4.110 2.443 ( 4.015 5.958 6.714) 9.833 2.562 ( 0.219 -1.645 -4.673) 4.959 2.637 ( 2.883 2.516 -7.812) 8.698 2.740 ( -7.227 -2.395 -5.237) 9.241 2.840 ( 2.022 -1.131 -2.036) 3.084 2.926 ( -4.300 5.160 4.881) 8.303 2.977 ( 3.024 3.839 -2.039) 5.296 3.158 ( 2.153 10.199 3.249) 10.918 3.220 ( 1.512 6.697 -1.319) 6.991 3.319 ( 0.089 5.561 -1.594) 5.785 3.381 ( -14.853 13.761 13.985) 24.608 3.617 ( 10.053 -6.719 7.691) 14.330 3.746 ( -0.838 -2.368 -2.696) 3.685 3.797 ( -5.659 -6.728 8.672) 12.348 3.961 ( -2.907 -2.212 -1.889) 4.112 4.058 ( -1.210 0.670 7.512) 7.639 4.169 ( 1.456 2.711 5.014) 5.883 4.305 ( 1.105 -2.290 -8.596) 8.964 4.460 ( 3.200 -3.918 -8.383) 9.791 4.528 ( -2.607 -0.750 -3.175) 4.176 4.672 ( 1.486 4.414 -3.027) 5.554 4.855 ( -1.554 1.734 7.454) 7.809 5.029 ( 1.462 0.405 -5.947) 6.137 5.146 ( -1.050 0.154 2.925) 3.111 5.246 ( 1.709 8.466 9.643) 12.945 5.327 ( 0.812 -2.479 6.087) 6.622 5.410 ( 0.223 3.664 -2.839) 4.641 5.609 ( 2.527 -5.666 -0.296) 6.211 5.622 ( 0.505 -7.304 -7.238) 10.295 5.768 ( -2.727 3.940 2.812) 5.556 5.966 ( 3.546 -0.907 0.393) 3.681 6.100 ( 0.259 -5.347 4.861) 7.231 6.225 ( -3.015 -0.679 -6.669) 7.351 6.297 ( -4.982 -2.707 -4.369) 7.158 6.369 ( -1.069 -0.129 -3.736) 3.888 6.527 ( -7.394 -3.977 -8.815) 12.174 6.759 ( 3.924 6.946 1.395) 8.098 6.850 ( 0.225 3.002 -4.305) 5.254 7.051 ( 0.906 -0.607 -2.564) 2.786 7.091 ( 3.442 3.633 -6.310) 8.054 7.265 ( 1.206 2.745 4.055) 5.043 7.307 ( 3.009 1.335 6.797) 7.552 8.193 ( -4.546 1.128 3.705) 5.972 8.352 ( 0.887 1.070 5.101) 5.287 8.383 ( -0.456 1.354 2.201) 2.624 8.437 ( 1.098 3.401 1.416) 3.844 8.651 ( -2.938 -0.671 -1.739) 3.479 8.829 ( -1.021 -1.396 -0.342) 1.763 8.876 ( 2.822 3.406 -4.206) 6.104 8.992 ( -1.288 -1.251 2.068) 2.739 9.077 ( 3.567 -1.999 6.153) 7.388 9.091 ( 1.433 0.143 5.222) 5.417 9.336 ( 5.455 -0.108 -1.531) 5.667 9.417 ( 7.229 -7.240 -6.025) 11.873 9.605 ( -5.473 -3.095 -13.612) 14.994 9.827 ( -0.352 0.618 -2.529) 2.627 9.875 ( 2.636 -9.903 -0.199) 10.249 10.098 ( 0.631 0.650 -0.034) 0.907 10.265 ( 1.371 -8.336 -3.589) 9.179 10.439 ( 3.183 -7.419 0.942) 8.128 10.499 ( 0.029 -3.282 -2.403) 4.067 10.573 ( -4.772 4.913 -3.294) 7.600 10.894 ( 2.579 -6.927 4.056) 8.431 11.096 ( -1.568 -12.947 -6.039) 14.372 11.388 ( 3.199 -1.033 3.701) 5.000 11.502 ( -2.363 -1.911 1.635) 3.451 12.206 ( 0.433 12.571 4.936) 13.512 12.592 ( -2.431 0.812 -2.962) 3.917 12.650 ( -0.571 13.910 -3.868) 14.449 12.760 ( 3.431 7.438 -1.329) 8.298 13.766 ( -3.633 2.532 8.128) 9.256 13.939 ( -4.610 -2.548 0.266) 5.274 14.183 ( 0.914 -0.066 -5.048) 5.130 14.307 ( 0.828 -1.670 -4.557) 4.923 19.564 ( -3.125 1.205 6.231) 7.075 19.658 ( -1.818 0.791 5.456) 5.805 19.856 ( -1.820 0.478 8.997) 9.192 20.135 ( 0.277 -10.246 7.225) 12.540 20.730 ( -0.912 -0.007 6.200) 6.267 20.963 ( -2.850 -7.290 5.279) 9.441 21.013 ( -1.200 2.881 1.903) 3.656 21.181 ( 1.547 -1.525 -4.888) 5.349 22.065 ( -0.947 4.274 2.889) 5.245 22.541 ( 0.381 -3.514 -4.321) 5.582 22.655 ( 3.408 1.798 -3.596) 5.270 22.947 ( 1.939 -3.468 -4.887) 6.298 23.468 ( 1.507 -0.445 1.898) 2.464 23.569 ( -0.253 -2.577 -2.129) 3.352 24.127 ( -0.728 6.045 -3.139) 6.850 24.175 ( 0.553 4.940 -4.410) 6.645 ======================= Grid point 84 (47/72) ======================= q-point: (-0.20 0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.253 ( -10.565 4.383 15.235) 19.051 1.560 ( -5.188 18.283 15.260) 24.373 1.836 ( 3.378 0.427 1.233) 3.622 1.985 ( 1.911 -15.711 0.166) 15.828 2.218 ( 0.652 0.083 -4.377) 4.426 2.416 ( 3.683 -3.794 -0.500) 5.311 2.487 ( 4.283 0.972 -1.773) 4.736 2.592 ( -7.852 -1.855 4.706) 9.340 2.648 ( 3.217 5.648 -0.698) 6.538 2.686 ( 3.428 -2.301 0.715) 4.190 2.826 ( 1.307 2.001 -1.627) 2.891 2.918 ( 5.334 11.220 7.359) 14.440 3.021 ( 2.044 9.500 -0.796) 9.750 3.182 ( -1.219 11.038 5.268) 12.291 3.242 ( -7.563 12.651 14.580) 20.732 3.344 ( 0.263 5.631 -1.991) 5.978 3.376 ( 4.551 1.728 3.652) 6.086 3.672 ( -2.391 -2.832 2.272) 4.348 3.760 ( 2.749 -1.655 -0.298) 3.222 3.846 ( -6.421 -6.171 5.900) 10.683 3.868 ( 4.318 -6.445 -0.674) 7.787 4.094 ( 0.781 -4.289 1.849) 4.736 4.142 ( -4.214 5.890 -0.657) 7.272 4.265 ( 1.356 1.935 -10.472) 10.735 4.439 ( 1.096 -3.775 -6.211) 7.351 4.513 ( 3.475 -2.166 2.367) 4.730 4.697 ( 2.063 1.568 -1.237) 2.872 4.843 ( -4.415 0.239 1.284) 4.604 5.026 ( 1.673 9.245 -2.931) 9.842 5.183 ( -0.125 -1.095 2.983) 3.180 5.282 ( -4.966 -1.762 2.150) 5.691 5.312 ( -0.639 3.793 3.154) 4.974 5.442 ( 1.947 -0.130 3.813) 4.283 5.562 ( 0.413 -7.351 -3.341) 8.085 5.644 ( -4.221 3.044 0.008) 5.204 5.772 ( 5.133 -2.635 0.517) 5.793 6.004 ( 0.332 0.829 2.897) 3.032 6.104 ( -1.754 -2.017 -4.125) 4.915 6.205 ( -1.046 -4.120 1.529) 4.518 6.294 ( 1.211 -5.923 0.224) 6.050 6.334 ( 2.117 -2.477 1.240) 3.486 6.360 ( 2.230 -3.332 -2.956) 4.981 6.735 ( -0.282 9.326 -8.405) 12.558 6.955 ( 5.485 2.154 3.025) 6.624 6.962 ( -6.310 3.149 -7.629) 10.389 7.095 ( 0.535 3.313 -3.658) 4.964 7.209 ( -3.511 4.680 -2.201) 6.251 7.390 ( -0.944 1.234 3.495) 3.824 8.123 ( -4.312 0.522 5.537) 7.038 8.326 ( -3.255 -3.772 0.371) 4.997 8.451 ( 1.876 1.383 2.300) 3.274 8.473 ( 2.003 2.946 0.783) 3.647 8.617 ( 0.393 1.412 -3.459) 3.757 8.805 ( 0.725 -3.395 -2.016) 4.014 8.885 ( 1.991 2.036 -3.260) 4.329 8.999 ( -0.536 1.305 4.462) 4.680 9.094 ( -2.475 0.647 3.800) 4.581 9.238 ( 1.813 -1.334 0.483) 2.302 9.267 ( -1.856 2.394 -6.709) 7.361 9.515 ( 3.009 -7.859 -8.104) 11.683 9.626 ( 8.779 -4.896 -5.115) 11.278 9.820 ( 3.152 5.557 -0.689) 6.426 10.010 ( 6.979 -9.272 1.393) 11.689 10.105 ( -0.450 -1.649 4.354) 4.678 10.225 ( 1.763 -4.592 -2.422) 5.483 10.428 ( -1.650 -0.956 -3.887) 4.330 10.542 ( 2.747 -0.246 -5.052) 5.756 10.586 ( 4.099 -9.157 5.863) 11.620 10.933 ( -4.958 -11.603 -2.852) 12.936 10.982 ( -1.670 -9.567 -0.091) 9.712 11.310 ( -5.823 3.138 -3.656) 7.558 11.509 ( -2.588 -3.347 0.848) 4.315 12.339 ( 7.030 8.633 8.243) 13.853 12.532 ( -1.691 4.010 -0.427) 4.373 12.631 ( 2.084 14.653 -4.055) 15.346 12.833 ( 5.066 6.958 -3.669) 9.356 13.706 ( -9.238 -0.752 7.814) 12.123 13.779 ( -7.920 -2.559 2.979) 8.840 14.170 ( 1.001 -0.446 -4.586) 4.715 14.295 ( 1.214 -1.819 -4.472) 4.978 19.560 ( -1.391 1.316 6.705) 6.973 19.678 ( -0.036 0.580 6.709) 6.734 19.862 ( -2.771 1.066 7.792) 8.339 20.145 ( -4.259 -12.970 5.434) 14.693 20.765 ( -0.094 -1.541 7.092) 7.258 20.938 ( -2.430 -5.169 5.006) 7.595 20.990 ( -1.030 2.270 -0.039) 2.493 21.218 ( 3.085 -0.489 -0.379) 3.146 22.062 ( -1.044 3.693 2.642) 4.659 22.526 ( 0.363 -7.257 -2.252) 7.607 22.691 ( 3.460 5.211 -8.704) 10.719 22.948 ( 1.489 -2.448 -5.454) 6.161 23.499 ( 0.322 -0.983 0.767) 1.288 23.593 ( 3.544 -1.507 -1.305) 4.066 24.071 ( -2.488 5.928 -1.740) 6.660 24.160 ( 0.772 4.677 -3.915) 6.148 ======================= Grid point 85 (48/72) ======================= q-point: ( 0.00 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -3.972 10.804 0.152) 11.512 1.571 ( -0.498 -11.549 -6.197) 13.116 1.904 ( -2.735 6.536 7.150) 10.066 1.941 ( -1.367 6.785 -1.511) 7.084 2.111 ( 2.294 -7.046 -5.128) 9.012 2.161 ( -4.512 -12.320 6.404) 14.600 2.526 ( -0.399 2.619 6.097) 6.648 2.571 ( 1.880 -0.574 0.153) 1.972 2.654 ( -8.520 2.727 -6.113) 10.835 2.729 ( -5.470 -4.365 -7.254) 10.079 2.897 ( -4.184 -1.758 -3.798) 5.918 2.913 ( 1.331 -2.099 -0.893) 2.641 3.106 ( -4.584 5.998 0.305) 7.555 3.186 ( -2.274 -0.802 -0.511) 2.465 3.318 ( -5.824 7.854 8.341) 12.852 3.492 ( -5.978 -8.321 8.268) 13.166 3.640 ( 6.533 6.452 -0.568) 9.199 3.707 ( 0.415 4.175 4.479) 6.138 3.741 ( -0.078 2.398 7.564) 7.936 3.812 ( -0.068 -3.162 8.547) 9.113 3.892 ( 5.761 6.264 4.671) 9.708 4.029 ( -2.584 -3.217 3.608) 5.481 4.341 ( 2.604 6.466 -4.225) 8.151 4.365 ( 5.479 6.132 1.425) 8.346 4.467 ( 9.850 -2.216 2.778) 10.471 4.531 ( 4.956 -7.641 5.850) 10.825 4.746 ( -1.811 3.277 -1.610) 4.076 4.774 ( -3.773 0.740 -0.418) 3.868 5.092 ( -2.594 2.802 1.958) 4.291 5.130 ( -1.333 -0.455 2.138) 2.560 5.270 ( -0.068 4.366 -2.496) 5.029 5.353 ( 0.092 -2.677 -5.369) 6.000 5.523 ( 3.701 3.541 -0.382) 5.136 5.553 ( -4.097 -0.266 0.477) 4.133 5.616 ( -1.272 6.891 2.376) 7.399 5.809 ( 4.602 -10.559 -2.109) 11.710 5.988 ( 1.459 0.195 4.906) 5.122 6.041 ( 1.095 -5.973 5.533) 8.215 6.150 ( 3.810 3.960 0.137) 5.497 6.251 ( 2.679 -6.046 1.659) 6.818 6.366 ( 5.006 6.605 2.424) 8.635 6.493 ( 6.465 -5.429 0.789) 8.479 6.839 ( -1.098 5.045 -6.634) 8.406 6.857 ( -6.596 5.723 -8.247) 12.012 6.971 ( 0.104 -2.499 -4.190) 4.880 7.003 ( -4.577 -3.880 -3.746) 7.074 7.270 ( -0.730 4.486 -4.904) 6.687 7.329 ( -3.320 -1.692 -2.856) 4.695 8.126 ( -0.492 2.465 3.902) 4.642 8.195 ( 1.314 -4.560 0.701) 4.797 8.482 ( -1.830 1.632 -0.478) 2.498 8.508 ( 0.026 -0.142 -1.641) 1.647 8.633 ( -2.764 2.644 0.141) 3.828 8.723 ( 0.326 -5.457 -4.184) 6.884 8.905 ( -2.492 2.519 -7.685) 8.462 8.975 ( -4.453 -3.200 -6.774) 8.716 9.064 ( -1.646 1.375 0.403) 2.182 9.105 ( -3.373 -2.084 0.418) 3.987 9.331 ( 1.724 4.919 0.251) 5.219 9.437 ( 2.116 -4.352 1.447) 5.051 9.679 ( 2.193 3.249 2.305) 4.547 9.821 ( -1.241 -9.962 1.294) 10.122 10.144 ( 7.442 5.978 3.205) 10.069 10.185 ( 4.433 1.418 7.596) 8.909 10.295 ( -0.566 -1.663 -2.382) 2.960 10.379 ( 3.082 -7.215 2.947) 8.381 10.455 ( 0.221 2.014 -12.053) 12.222 10.534 ( 5.227 -4.458 -6.914) 9.747 10.743 ( -1.465 0.081 1.202) 1.897 10.790 ( -3.160 -4.673 0.777) 5.695 11.292 ( -1.955 3.296 -0.950) 3.948 11.350 ( -3.296 -2.595 -1.487) 4.451 12.620 ( 2.431 4.259 2.333) 5.431 12.647 ( 5.476 2.141 2.849) 6.533 12.824 ( -1.379 4.970 -3.644) 6.315 12.875 ( -4.360 -1.054 -3.880) 5.930 13.613 ( -0.821 1.637 7.669) 7.885 13.650 ( -1.717 -2.429 7.184) 7.776 14.181 ( 1.909 2.202 -5.045) 5.827 14.244 ( 2.238 -3.718 -5.620) 7.100 19.622 ( -1.334 2.541 7.848) 8.357 19.681 ( -1.853 -3.305 8.279) 9.105 19.912 ( -1.142 3.564 5.620) 6.752 19.977 ( -1.765 -3.080 6.634) 7.524 20.764 ( -1.954 0.040 5.602) 5.933 20.808 ( -1.738 -4.616 4.665) 6.789 21.064 ( -1.106 5.337 -0.242) 5.456 21.171 ( -0.625 -5.545 -1.618) 5.809 22.159 ( -1.028 6.725 3.600) 7.697 22.318 ( -0.945 -9.793 2.899) 10.257 22.797 ( 1.845 4.939 -11.420) 12.578 22.875 ( 1.361 -3.405 -9.120) 9.829 23.529 ( 0.052 2.235 0.540) 2.300 23.584 ( 0.646 -3.274 -0.818) 3.436 24.165 ( 1.740 4.651 -1.251) 5.121 24.210 ( 1.943 0.038 -2.529) 3.190 ======================= Grid point 86 (49/72) ======================= q-point: ( 0.20 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -1.861 8.408 3.771) 9.401 1.526 ( -2.681 -17.945 -3.377) 18.456 1.835 ( -4.611 8.520 8.675) 13.004 1.957 ( -3.508 -3.744 4.214) 6.640 2.113 ( 8.351 6.579 -0.075) 10.632 2.290 ( 7.854 -9.908 -0.681) 12.662 2.396 ( -10.532 -0.127 -6.185) 12.215 2.453 ( -8.019 -5.532 -2.201) 9.988 2.577 ( -2.120 2.666 10.379) 10.924 2.660 ( 0.490 -5.995 9.683) 11.399 2.872 ( 0.819 0.874 -2.488) 2.762 2.877 ( -0.793 0.835 -1.874) 2.200 3.000 ( -4.132 3.078 -5.355) 7.431 3.071 ( -4.425 -2.665 -6.881) 8.604 3.299 ( -0.476 7.072 4.857) 8.592 3.464 ( -1.372 -7.819 4.329) 9.042 3.694 ( -1.187 1.935 1.523) 2.734 3.697 ( -2.287 1.760 4.067) 4.987 3.781 ( -3.066 9.496 12.717) 16.165 3.887 ( -2.388 -0.061 12.973) 13.191 4.012 ( 1.148 0.945 4.964) 5.182 4.064 ( 3.896 -4.676 0.733) 6.130 4.327 ( 1.248 5.809 -8.102) 10.047 4.384 ( -0.870 1.604 -5.643) 5.931 4.529 ( -8.387 5.934 2.893) 10.673 4.659 ( -3.722 -3.465 4.473) 6.772 4.741 ( 5.038 2.326 -1.434) 5.731 4.761 ( 6.574 -0.351 5.504) 8.581 5.097 ( 0.239 7.350 -3.773) 8.265 5.162 ( 1.928 1.639 1.870) 3.147 5.233 ( 0.306 2.090 -1.130) 2.395 5.311 ( -1.187 -4.297 -5.743) 7.270 5.435 ( -3.778 5.576 -2.545) 7.200 5.516 ( -2.707 -2.913 1.802) 4.366 5.664 ( 2.984 9.713 2.068) 10.370 5.843 ( 0.691 -6.688 -2.134) 7.055 6.014 ( -2.492 0.841 0.352) 2.653 6.118 ( 0.436 -6.617 2.914) 7.244 6.245 ( -0.172 -0.123 -1.477) 1.492 6.289 ( 0.830 -3.152 -0.689) 3.332 6.501 ( 7.594 5.657 -2.660) 9.836 6.578 ( 5.641 -2.977 -1.744) 6.612 6.729 ( 0.554 6.986 -0.138) 7.009 6.828 ( 4.174 0.436 -4.900) 6.452 6.926 ( -0.363 -0.145 -0.539) 0.666 6.986 ( 1.609 -6.015 1.994) 6.538 7.193 ( -6.268 -0.094 -6.048) 8.711 7.211 ( -3.689 -1.286 -3.657) 5.351 8.207 ( 5.716 5.726 2.194) 8.383 8.334 ( 9.812 -6.139 1.939) 11.736 8.411 ( -3.779 4.131 0.309) 5.607 8.469 ( -1.839 1.376 -0.568) 2.366 8.575 ( -5.081 -0.249 4.509) 6.798 8.704 ( 1.186 -9.452 2.163) 9.769 8.826 ( 0.451 2.193 -6.385) 6.767 8.911 ( 3.310 -5.507 -6.130) 8.880 9.036 ( -1.263 0.725 0.317) 1.491 9.064 ( -3.110 -0.789 4.832) 5.800 9.260 ( -6.968 7.000 -3.509) 10.482 9.402 ( -6.747 -4.676 0.956) 8.264 9.747 ( 1.302 -0.446 5.201) 5.380 9.790 ( -1.415 -6.223 0.206) 6.385 10.135 ( -5.112 7.907 -6.822) 11.627 10.232 ( -1.512 0.805 -3.344) 3.757 10.276 ( -3.131 -1.119 -3.977) 5.184 10.324 ( 0.313 -5.238 0.828) 5.313 10.520 ( 3.610 2.349 -5.638) 7.095 10.664 ( 6.874 -10.166 -4.084) 12.934 10.714 ( 0.408 2.734 0.952) 2.923 10.779 ( 2.661 -3.787 1.029) 4.742 11.257 ( -0.336 6.474 1.458) 6.645 11.369 ( 3.317 -5.068 1.840) 6.330 12.590 ( -6.121 6.842 0.031) 9.181 12.702 ( -5.650 -4.676 -1.081) 7.414 12.773 ( 2.810 4.528 -0.080) 5.330 12.795 ( 1.169 2.532 -1.735) 3.285 13.736 ( 4.022 0.622 6.769) 7.898 13.749 ( 6.643 -0.467 6.420) 9.250 14.195 ( 2.684 2.249 -5.887) 6.850 14.256 ( 2.762 -3.478 -6.861) 8.173 19.640 ( -1.978 1.088 7.704) 8.028 19.672 ( -3.903 -2.082 7.345) 8.574 19.918 ( -1.759 4.641 4.986) 7.035 19.990 ( -1.372 -2.203 6.784) 7.263 20.751 ( -2.350 0.920 5.133) 5.720 20.818 ( -0.935 -5.881 6.153) 8.563 21.044 ( -0.595 3.994 0.473) 4.065 21.138 ( -0.859 -5.695 -2.469) 6.267 22.168 ( -0.526 6.897 3.652) 7.822 22.329 ( 0.021 -9.941 3.011) 10.387 22.760 ( 1.582 5.324 -9.644) 11.130 22.847 ( 1.615 -4.044 -7.903) 9.023 23.512 ( -1.590 2.586 0.170) 3.041 23.568 ( -1.160 -3.164 -0.866) 3.479 24.208 ( 2.901 4.084 -2.393) 5.551 24.241 ( 2.378 0.652 -3.286) 4.108 ======================= Grid point 87 (50/72) ======================= q-point: (-0.60 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 1.349 2.270 12.056) 12.342 1.407 ( -7.953 -6.365 11.753) 15.553 1.912 ( 3.313 4.404 6.529) 8.544 1.968 ( 2.271 -1.501 5.452) 6.094 2.133 ( -8.856 5.188 0.362) 10.270 2.279 ( 4.207 0.520 -5.343) 6.820 2.360 ( 2.397 -7.553 2.325) 8.258 2.458 ( 7.273 -8.083 -5.430) 12.154 2.602 ( -0.102 8.244 7.621) 11.228 2.754 ( -0.475 -6.522 5.690) 8.668 2.787 ( -1.852 4.629 -0.073) 4.986 2.887 ( 0.011 -5.428 4.025) 6.758 3.002 ( 6.645 4.980 -2.568) 8.692 3.069 ( 5.502 -0.795 -1.466) 5.749 3.319 ( 1.119 4.136 4.297) 6.068 3.466 ( 0.511 -6.646 0.734) 6.706 3.639 ( -5.236 4.096 3.526) 7.525 3.681 ( -3.025 2.579 3.326) 5.183 3.766 ( -11.354 4.967 6.326) 13.915 3.795 ( -5.316 -1.256 9.554) 11.005 4.010 ( -3.363 0.490 -5.415) 6.393 4.090 ( -1.178 -4.104 -1.351) 4.478 4.283 ( -0.934 4.770 -2.864) 5.641 4.338 ( -3.136 11.509 3.375) 12.397 4.393 ( -0.734 -1.574 -6.331) 6.565 4.583 ( -4.914 -5.593 1.942) 7.694 4.789 ( -1.315 3.050 0.857) 3.430 4.841 ( -2.609 -2.751 4.365) 5.781 5.081 ( 1.282 9.424 -5.623) 11.049 5.208 ( -0.932 1.589 -1.708) 2.512 5.251 ( 1.782 -0.866 1.192) 2.312 5.265 ( 5.102 -1.680 -2.478) 5.915 5.416 ( 1.700 -0.300 -2.753) 3.250 5.474 ( -1.145 -2.708 0.050) 2.941 5.715 ( -2.362 8.093 1.498) 8.563 5.821 ( -1.242 -1.725 0.708) 2.241 5.977 ( -0.930 1.163 -0.681) 1.637 6.004 ( -3.408 -2.172 -3.449) 5.313 6.243 ( -0.127 -4.005 -5.488) 6.795 6.272 ( 1.241 -5.901 -1.221) 6.152 6.567 ( -5.042 5.399 -2.066) 7.670 6.634 ( 1.844 -0.366 -4.554) 4.927 6.797 ( -2.304 5.232 -0.090) 5.717 6.911 ( -1.110 -5.252 -1.621) 5.608 6.954 ( 6.303 3.275 -3.908) 8.107 7.011 ( 5.938 -2.071 -0.659) 6.324 7.148 ( 6.308 0.509 3.758) 7.360 7.184 ( 3.056 -2.996 4.797) 6.429 8.299 ( 0.313 6.086 1.920) 6.389 8.379 ( -2.547 3.240 4.952) 6.443 8.411 ( 2.110 -1.934 -1.847) 3.406 8.459 ( -5.424 -1.642 2.657) 6.259 8.633 ( 8.502 2.697 7.871) 11.896 8.772 ( -1.103 -6.050 5.446) 8.214 8.859 ( 6.244 0.489 -2.568) 6.769 8.970 ( 1.129 -6.272 -1.565) 6.562 9.013 ( -1.995 4.818 -2.440) 5.758 9.081 ( 4.924 -2.907 -0.833) 5.778 9.112 ( -0.216 4.158 -1.867) 4.563 9.247 ( -4.240 -6.632 1.269) 7.973 9.743 ( -3.989 -2.428 0.343) 4.682 9.773 ( -2.935 -4.473 5.448) 7.635 9.950 ( -7.148 6.285 -8.155) 12.534 10.081 ( -5.077 -5.804 -7.642) 10.856 10.216 ( -0.049 3.060 -4.532) 5.468 10.309 ( -1.623 -6.541 -2.672) 7.250 10.550 ( 3.329 7.534 -4.898) 9.583 10.719 ( 1.758 -8.206 -1.446) 8.516 10.750 ( 0.608 4.560 -1.063) 4.722 10.871 ( 4.287 -8.343 -2.750) 9.775 11.314 ( 3.560 6.377 3.262) 7.999 11.436 ( 1.135 -6.111 2.605) 6.740 12.460 ( -4.952 8.781 0.957) 10.127 12.597 ( -3.571 -5.404 0.282) 6.483 12.822 ( 1.929 4.234 -1.488) 4.885 12.829 ( 2.396 3.404 -1.439) 4.404 13.834 ( 0.640 3.114 4.971) 5.901 13.889 ( 2.350 -2.627 4.032) 5.356 14.210 ( 2.244 2.320 -5.948) 6.767 14.266 ( 2.262 -3.052 -6.406) 7.448 19.626 ( -4.093 0.749 6.866) 8.028 19.645 ( -2.537 -1.207 7.123) 7.657 19.907 ( -2.174 4.792 4.705) 7.059 19.998 ( -1.998 -4.355 5.765) 7.496 20.745 ( -1.679 2.722 5.881) 6.694 20.835 ( -1.746 -6.447 6.901) 9.604 21.051 ( 0.667 2.841 1.184) 3.150 21.117 ( 0.724 -4.167 -2.566) 4.947 22.179 ( -0.834 7.366 3.658) 8.266 22.349 ( -0.295 -10.351 3.143) 10.821 22.749 ( 3.137 6.032 -8.315) 10.741 22.847 ( 2.961 -4.462 -6.626) 8.520 23.482 ( -0.971 2.502 0.126) 2.687 23.537 ( -1.087 -3.094 -0.933) 3.410 24.235 ( 1.348 3.112 -3.690) 5.012 24.252 ( 0.952 1.277 -4.123) 4.420 ======================= Grid point 88 (51/72) ======================= q-point: (-0.40 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -4.270 2.495 15.299) 16.079 1.466 ( 5.345 -5.627 10.981) 13.447 1.885 ( -4.764 7.454 7.481) 11.585 1.959 ( -3.803 -1.180 5.878) 7.100 2.238 ( 9.394 4.677 3.646) 11.109 2.348 ( 3.029 4.567 -8.677) 10.263 2.426 ( 3.382 -6.926 0.244) 7.712 2.498 ( 1.046 -5.804 -3.916) 7.080 2.657 ( 0.161 5.426 -1.737) 5.700 2.751 ( -0.070 -2.595 -0.570) 2.658 2.836 ( 1.915 3.833 -1.319) 4.483 2.920 ( 7.858 -3.634 2.902) 9.131 3.145 ( 3.894 9.689 6.156) 12.122 3.225 ( 6.285 0.226 6.017) 8.703 3.428 ( -13.378 10.033 2.871) 16.967 3.472 ( 7.366 -2.264 5.228) 9.312 3.480 ( -2.766 0.887 4.833) 5.639 3.608 ( 2.469 -5.197 -1.342) 5.908 3.680 ( -9.680 5.038 5.189) 12.084 3.698 ( -0.948 5.990 6.524) 8.907 3.925 ( -2.049 -3.885 -8.163) 9.270 3.995 ( -3.198 -8.709 0.683) 9.303 4.248 ( -3.719 5.843 -3.646) 7.827 4.291 ( -0.114 6.223 3.477) 7.130 4.379 ( 0.971 -5.050 -6.217) 8.068 4.477 ( -6.020 -6.883 2.493) 9.478 4.754 ( -1.169 2.017 -1.344) 2.691 4.805 ( -1.281 -3.848 3.400) 5.292 5.077 ( 1.767 4.889 -2.123) 5.616 5.152 ( -1.125 -0.774 -0.378) 1.417 5.344 ( 3.020 2.721 -0.617) 4.112 5.356 ( 0.541 4.546 1.250) 4.746 5.421 ( 0.674 -3.388 1.361) 3.712 5.483 ( 3.169 -6.493 -5.257) 8.935 5.651 ( 0.150 8.718 -0.694) 8.747 5.783 ( -3.823 -3.409 2.952) 5.912 5.979 ( 3.024 2.255 -0.461) 3.800 6.034 ( 2.614 -2.428 1.733) 3.966 6.203 ( -2.909 -0.537 0.695) 3.039 6.231 ( -4.860 -3.259 -1.143) 5.962 6.367 ( -7.983 1.134 -4.364) 9.168 6.433 ( -9.670 -4.991 -8.592) 13.865 6.854 ( 4.056 2.788 1.282) 5.086 6.880 ( 2.226 -0.051 0.125) 2.230 7.089 ( 5.371 3.859 -6.196) 9.063 7.135 ( 5.289 0.089 -6.774) 8.595 7.300 ( 2.910 1.123 4.396) 5.391 7.315 ( 4.130 -0.328 5.855) 7.172 8.248 ( -5.781 4.176 3.633) 8.004 8.326 ( -5.146 -3.185 3.969) 7.237 8.439 ( 1.944 3.163 2.119) 4.275 8.475 ( 3.088 -0.122 0.066) 3.091 8.681 ( -3.084 3.676 0.227) 4.804 8.769 ( -2.500 -4.601 0.830) 5.302 8.945 ( 0.139 2.559 -0.303) 2.581 8.969 ( 1.923 -0.557 2.022) 2.845 9.057 ( 7.604 1.470 0.525) 7.763 9.105 ( 3.236 -0.213 -1.092) 3.422 9.296 ( 10.367 -2.575 -0.840) 10.715 9.330 ( 8.524 -3.406 -0.034) 9.179 9.588 ( -8.646 2.779 -7.685) 11.897 9.699 ( -3.206 -7.706 1.419) 8.466 9.833 ( -0.533 2.920 0.062) 2.969 9.984 ( -2.420 -11.279 1.776) 11.672 10.209 ( 2.033 3.690 -4.321) 6.035 10.299 ( 1.992 -5.706 0.229) 6.048 10.568 ( 1.630 6.489 -6.459) 9.300 10.656 ( -2.479 1.161 -8.815) 9.231 10.784 ( 0.607 -2.266 3.521) 4.231 10.878 ( -1.182 -9.194 -4.280) 10.210 11.403 ( 1.765 2.095 1.909) 3.339 11.454 ( -0.199 -2.878 0.927) 3.031 12.418 ( -0.417 9.104 3.630) 9.810 12.550 ( -1.295 -4.621 1.025) 4.907 12.841 ( 1.285 5.788 -3.014) 6.652 12.870 ( 2.757 2.656 -1.995) 4.317 13.817 ( -5.012 2.934 4.735) 7.493 13.880 ( -5.323 -3.390 2.439) 6.766 14.205 ( 0.830 2.265 -5.212) 5.743 14.260 ( 0.677 -3.031 -4.971) 5.861 19.597 ( -2.816 2.166 7.015) 7.864 19.641 ( -2.144 -2.139 7.209) 7.819 19.897 ( -1.912 3.530 5.577) 6.871 19.985 ( -2.242 -5.787 4.729) 7.803 20.754 ( -1.479 2.635 6.370) 7.050 20.834 ( -2.327 -5.659 6.072) 8.620 21.075 ( 0.729 3.388 0.647) 3.525 21.138 ( 2.200 -2.924 -1.209) 3.854 22.178 ( -1.532 7.472 3.603) 8.436 22.351 ( -1.515 -10.391 3.044) 10.933 22.780 ( 4.901 6.156 -8.981) 11.940 22.876 ( 3.720 -4.097 -6.999) 8.922 23.481 ( 0.599 1.516 0.664) 1.760 23.520 ( 0.321 -2.382 -0.783) 2.528 24.213 ( -0.910 2.915 -3.636) 4.748 24.233 ( -0.020 0.963 -4.138) 4.248 ======================= Grid point 89 (52/72) ======================= q-point: (-0.20 0.43 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -4.047 8.569 8.432) 12.685 1.598 ( 1.924 -14.921 1.353) 15.106 1.903 ( -1.737 13.440 6.692) 15.114 1.973 ( 1.668 4.808 4.386) 6.719 2.162 ( -7.367 -1.841 -9.435) 12.111 2.314 ( -8.146 -10.741 -2.440) 13.700 2.478 ( 5.029 -0.098 -2.160) 5.474 2.501 ( 2.952 -1.429 1.388) 3.561 2.721 ( 5.365 3.365 -1.717) 6.562 2.768 ( 3.132 0.442 -3.361) 4.616 2.896 ( -2.081 8.290 -0.053) 8.547 3.038 ( -2.195 -3.461 -0.046) 4.099 3.179 ( -2.278 10.737 11.422) 15.841 3.258 ( -4.171 1.136 -3.955) 5.859 3.336 ( -0.762 4.073 3.851) 5.657 3.478 ( 1.668 -8.806 7.911) 11.955 3.572 ( -0.520 4.994 -1.278) 5.181 3.609 ( 2.798 1.029 9.545) 10.000 3.725 ( 5.249 -4.825 4.281) 8.316 3.748 ( -5.593 6.866 1.140) 8.929 3.815 ( 2.825 5.897 -0.044) 6.539 4.042 ( 1.743 -3.733 4.369) 6.006 4.206 ( 2.521 2.346 0.624) 3.500 4.285 ( 1.222 -3.114 -2.337) 4.080 4.354 ( 0.493 0.014 0.812) 0.950 4.445 ( 0.877 -5.870 4.583) 7.498 4.745 ( 1.502 2.394 -2.658) 3.879 4.810 ( 0.008 -3.625 -0.338) 3.641 5.132 ( 2.391 2.156 1.808) 3.693 5.171 ( -1.704 -1.413 4.094) 4.654 5.284 ( -3.770 3.910 0.128) 5.433 5.353 ( 1.177 0.479 -3.442) 3.669 5.466 ( 1.826 0.886 -5.140) 5.527 5.529 ( 2.814 1.017 4.356) 5.285 5.689 ( -5.202 1.605 0.068) 5.445 5.714 ( 3.911 -1.265 0.645) 4.161 5.998 ( -1.162 -0.726 1.838) 2.293 6.032 ( -4.120 -4.855 -2.510) 6.845 6.160 ( -0.364 0.481 1.734) 1.836 6.197 ( 0.442 -3.101 0.428) 3.161 6.289 ( -0.898 -1.808 0.496) 2.079 6.302 ( 5.542 -2.216 3.809) 7.080 6.883 ( 0.862 5.689 -4.886) 7.548 6.953 ( 2.238 -1.739 -1.278) 3.109 7.058 ( -3.547 5.252 -8.595) 10.679 7.125 ( -1.382 -0.972 -7.916) 8.094 7.311 ( -1.258 5.226 -1.002) 5.468 7.384 ( -0.362 -2.015 0.660) 2.151 8.158 ( -4.728 3.082 4.496) 7.216 8.238 ( -4.832 -4.848 2.183) 7.184 8.487 ( 0.952 2.093 1.545) 2.771 8.510 ( 0.302 0.208 -0.620) 0.720 8.659 ( 1.322 2.917 -3.649) 4.855 8.729 ( 0.484 -4.147 -3.492) 5.443 8.953 ( 0.560 4.539 -1.293) 4.753 9.016 ( 1.278 -0.950 1.101) 1.936 9.135 ( -1.350 3.670 1.018) 4.041 9.194 ( 1.626 -2.109 0.760) 2.770 9.317 ( -3.997 1.108 -11.572) 12.293 9.382 ( 2.654 -5.928 -7.667) 10.049 9.588 ( 7.509 4.068 2.174) 8.812 9.769 ( 4.463 -12.245 6.749) 14.677 9.909 ( 7.920 3.529 5.008) 10.013 10.011 ( 3.448 -6.560 6.608) 9.929 10.241 ( 2.910 4.586 -1.515) 5.638 10.353 ( 0.248 -6.794 4.506) 8.156 10.529 ( -0.064 3.142 -9.069) 9.598 10.566 ( 0.209 0.532 -11.523) 11.538 10.786 ( -3.041 -3.365 0.354) 4.549 10.820 ( -0.918 -6.387 1.333) 6.589 11.370 ( -3.386 3.295 -2.656) 5.420 11.438 ( -2.528 -3.728 -0.767) 4.569 12.491 ( 4.308 6.300 5.690) 9.520 12.563 ( 1.506 -1.034 2.648) 3.217 12.846 ( 1.446 7.373 -4.263) 8.639 12.910 ( 2.373 0.638 -3.774) 4.504 13.702 ( -9.000 0.531 6.251) 10.971 13.730 ( -8.883 -2.239 4.201) 10.078 14.186 ( 0.753 2.111 -4.763) 5.264 14.242 ( 0.973 -3.308 -4.565) 5.721 19.600 ( -1.578 2.730 7.597) 8.225 19.655 ( -1.240 -2.585 7.897) 8.401 19.900 ( -1.438 2.831 5.983) 6.773 19.975 ( -1.852 -5.522 5.528) 8.030 20.762 ( -1.609 1.358 5.991) 6.351 20.821 ( -2.295 -4.835 4.997) 7.322 21.082 ( -0.239 5.165 -0.339) 5.181 21.173 ( 1.212 -3.918 -0.583) 4.142 22.165 ( -1.739 7.059 3.538) 8.085 22.331 ( -1.970 -10.039 2.905) 10.635 22.813 ( 4.070 5.325 -11.191) 13.044 22.894 ( 2.637 -3.326 -8.567) 9.561 23.507 ( 1.224 1.527 0.705) 2.080 23.549 ( 2.409 -2.571 -0.226) 3.530 24.169 ( -0.936 3.837 -2.203) 4.522 24.207 ( 0.115 0.149 -3.082) 3.088 ======================= Grid point 105 (53/72) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -6.857 0.000 21.075) 22.163 1.863 ( 6.297 0.000 23.063) 23.907 2.180 ( 6.780 0.000 -13.219) 14.856 2.267 ( -7.848 0.000 -6.006) 9.883 2.439 ( 5.823 0.000 9.434) 11.086 2.465 ( 3.671 0.000 -1.411) 3.933 2.597 ( 1.005 0.000 1.294) 1.638 2.632 ( 5.281 0.000 0.335) 5.291 2.672 ( -8.730 0.000 3.135) 9.276 2.795 ( -12.259 0.000 -5.843) 13.580 2.857 ( -1.103 0.000 2.012) 2.294 2.917 ( 5.483 0.000 -1.870) 5.793 3.009 ( 2.058 0.000 -0.744) 2.189 3.026 ( 3.240 0.000 -1.818) 3.716 3.285 ( 3.664 0.000 4.936) 6.147 3.325 ( -1.098 0.000 -0.701) 1.303 3.513 ( -4.070 0.000 0.387) 4.088 3.533 ( 0.907 0.000 9.583) 9.626 3.575 ( 9.625 0.000 2.947) 10.066 3.649 ( 7.109 0.000 8.772) 11.291 3.785 ( -9.269 0.000 -4.728) 10.405 4.010 ( 4.105 0.000 -4.391) 6.011 4.166 ( -2.003 0.000 2.891) 3.517 4.366 ( -5.802 0.000 6.154) 8.458 4.403 ( -3.718 0.000 -12.029) 12.590 4.478 ( 2.554 0.000 -4.792) 5.430 4.594 ( -4.453 0.000 7.470) 8.696 4.740 ( 1.159 0.000 0.821) 1.420 4.917 ( -3.116 0.000 -10.033) 10.506 4.936 ( -1.560 0.000 -8.250) 8.397 5.125 ( -2.517 0.000 2.139) 3.304 5.208 ( -1.355 0.000 -3.565) 3.814 5.217 ( -2.550 0.000 5.685) 6.230 5.381 ( 1.826 0.000 -9.131) 9.312 5.815 ( -1.636 0.000 6.755) 6.950 5.822 ( 5.603 0.000 2.059) 5.969 5.979 ( 4.142 0.000 -5.676) 7.027 5.984 ( -2.059 0.000 -2.582) 3.302 6.146 ( -5.628 0.000 3.532) 6.645 6.260 ( 3.926 0.000 -7.766) 8.702 6.469 ( 6.604 0.000 4.180) 7.815 6.509 ( 4.800 0.000 3.490) 5.935 6.586 ( -9.927 0.000 -2.995) 10.369 6.646 ( 0.204 0.000 -9.540) 9.542 7.061 ( -4.265 0.000 1.131) 4.412 7.066 ( 6.302 0.000 0.712) 6.343 7.384 ( -2.400 0.000 4.945) 5.496 7.392 ( 1.172 0.000 3.960) 4.130 8.290 ( -4.768 0.000 6.821) 8.322 8.320 ( 3.788 0.000 0.428) 3.812 8.370 ( -0.871 0.000 3.460) 3.568 8.518 ( -1.558 0.000 -5.029) 5.265 8.702 ( 3.063 0.000 -0.501) 3.104 8.741 ( 1.654 0.000 -4.956) 5.225 9.051 ( 11.225 0.000 2.087) 11.418 9.090 ( -9.312 0.000 1.594) 9.448 9.187 ( -5.686 0.000 5.262) 7.747 9.285 ( 4.907 0.000 -5.477) 7.354 9.287 ( -3.495 0.000 5.365) 6.403 9.423 ( 4.786 0.000 5.166) 7.043 9.495 ( 1.612 0.000 -6.764) 6.953 9.662 ( -0.996 0.000 -6.496) 6.572 9.897 ( -3.143 0.000 -3.378) 4.614 9.971 ( 1.329 0.000 -12.488) 12.559 10.415 ( 6.764 0.000 6.560) 9.423 10.551 ( -0.923 0.000 -5.669) 5.743 10.869 ( 6.393 0.000 0.625) 6.423 10.895 ( -6.710 0.000 -1.346) 6.843 11.065 ( 1.995 0.000 7.841) 8.091 11.200 ( -9.600 0.000 1.470) 9.712 11.203 ( -7.479 0.000 -4.482) 8.719 11.235 ( 5.001 0.000 -2.653) 5.661 12.256 ( 0.595 0.000 0.025) 0.595 12.271 ( 1.584 0.000 -1.361) 2.088 12.501 ( 0.579 0.000 8.883) 8.902 12.690 ( 4.162 0.000 -8.756) 9.695 13.750 ( -0.863 0.000 11.676) 11.707 13.992 ( -0.171 0.000 -10.734) 10.736 14.078 ( -3.623 0.000 8.325) 9.079 14.214 ( 2.955 0.000 -4.603) 5.470 19.734 ( 1.698 0.000 5.418) 5.678 19.799 ( 1.213 0.000 0.346) 1.261 19.970 ( -3.082 0.000 6.333) 7.043 20.065 ( -7.641 0.000 -3.069) 8.234 21.013 ( 0.344 0.000 4.223) 4.237 21.092 ( 0.736 0.000 -3.915) 3.984 21.151 ( -5.689 0.000 11.077) 12.452 21.393 ( 7.558 0.000 -11.532) 13.788 22.048 ( -2.009 0.000 5.767) 6.107 22.188 ( 3.981 0.000 -6.221) 7.386 22.946 ( -3.102 0.000 3.169) 4.435 23.023 ( 5.074 0.000 -3.813) 6.347 23.496 ( -3.468 0.000 -0.661) 3.530 23.510 ( 1.876 0.000 -1.582) 2.454 23.844 ( -1.044 0.000 3.326) 3.486 23.922 ( 1.472 0.000 -4.008) 4.270 ======================= Grid point 106 (54/72) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -3.079 0.000 11.249) 11.663 2.058 ( -7.119 0.000 -6.840) 9.872 2.116 ( 3.324 0.000 16.487) 16.819 2.213 ( 1.693 0.000 -12.736) 12.848 2.271 ( -16.870 0.000 -4.292) 17.408 2.286 ( -15.544 0.000 -4.429) 16.163 2.492 ( -6.778 0.000 10.522) 12.516 2.516 ( -4.857 0.000 -1.013) 4.961 2.752 ( 3.555 0.000 5.948) 6.930 2.760 ( 0.856 0.000 4.707) 4.785 2.860 ( -0.558 0.000 -0.380) 0.675 2.977 ( -4.547 0.000 -5.947) 7.486 3.033 ( 2.771 0.000 -2.603) 3.802 3.104 ( 4.349 0.000 -5.765) 7.221 3.207 ( -2.306 0.000 -3.080) 3.847 3.236 ( -7.242 0.000 1.283) 7.354 3.342 ( -10.270 0.000 -3.564) 10.871 3.482 ( -3.862 0.000 -7.586) 8.513 3.636 ( 4.531 0.000 -2.251) 5.060 3.885 ( 10.123 0.000 5.409) 11.478 3.910 ( 3.901 0.000 8.649) 9.488 4.032 ( 2.424 0.000 -11.534) 11.786 4.157 ( -4.251 0.000 17.265) 17.780 4.263 ( -1.010 0.000 -7.992) 8.056 4.419 ( 8.027 0.000 6.494) 10.325 4.565 ( -3.865 0.000 6.383) 7.462 4.663 ( 3.380 0.000 0.207) 3.386 4.696 ( 4.914 0.000 1.626) 5.176 4.864 ( 3.781 0.000 -0.866) 3.879 4.934 ( 2.744 0.000 5.370) 6.031 5.083 ( -4.313 0.000 6.607) 7.890 5.180 ( 0.901 0.000 -1.781) 1.996 5.328 ( 5.474 0.000 4.602) 7.151 5.463 ( 9.341 0.000 -5.524) 10.853 5.748 ( -2.997 0.000 -3.402) 4.534 5.864 ( -3.155 0.000 -3.443) 4.670 5.947 ( 2.506 0.000 -1.402) 2.871 6.070 ( 2.121 0.000 1.115) 2.396 6.103 ( 2.300 0.000 2.261) 3.225 6.290 ( 0.756 0.000 -3.336) 3.420 6.448 ( -1.210 0.000 -3.219) 3.439 6.461 ( -4.309 0.000 -9.602) 10.525 6.674 ( 9.854 0.000 1.643) 9.990 6.767 ( 9.254 0.000 4.720) 10.388 6.891 ( -7.968 0.000 1.095) 8.042 7.071 ( -5.308 0.000 -5.393) 7.567 7.356 ( -2.968 0.000 5.542) 6.286 7.421 ( -1.895 0.000 -0.535) 1.969 8.258 ( -0.363 0.000 2.493) 2.519 8.363 ( -3.168 0.000 -0.185) 3.173 8.398 ( -0.938 0.000 8.095) 8.150 8.442 ( 0.739 0.000 -3.153) 3.238 8.685 ( -4.238 0.000 -2.156) 4.754 8.726 ( 0.391 0.000 -5.814) 5.827 8.972 ( 0.284 0.000 -2.206) 2.224 9.110 ( -4.764 0.000 5.071) 6.958 9.259 ( -3.318 0.000 7.497) 8.199 9.322 ( 11.155 0.000 -0.866) 11.188 9.358 ( 1.039 0.000 0.866) 1.352 9.430 ( 0.797 0.000 -8.345) 8.383 9.547 ( -0.266 0.000 -8.809) 8.813 9.550 ( 0.944 0.000 2.840) 2.993 9.810 ( -3.243 0.000 -0.288) 3.255 9.950 ( 0.632 0.000 -6.073) 6.106 10.387 ( -6.792 0.000 -8.431) 10.827 10.540 ( 2.835 0.000 0.831) 2.954 10.725 ( -7.699 0.000 -0.406) 7.710 10.902 ( -4.569 0.000 0.799) 4.638 11.150 ( 5.722 0.000 1.908) 6.032 11.193 ( 5.933 0.000 4.244) 7.295 11.266 ( 8.673 0.000 10.177) 13.371 11.410 ( 8.738 0.000 1.282) 8.832 12.206 ( -7.571 0.000 -5.330) 9.259 12.218 ( -2.007 0.000 1.005) 2.244 12.478 ( -7.421 0.000 1.598) 7.591 12.626 ( -0.468 0.000 -9.247) 9.259 13.894 ( 4.484 0.000 9.396) 10.411 13.989 ( 5.922 0.000 -8.429) 10.301 14.034 ( -4.780 0.000 8.644) 9.878 14.229 ( 1.485 0.000 -5.689) 5.879 19.727 ( -4.840 0.000 -1.925) 5.209 19.748 ( -2.499 0.000 1.906) 3.142 20.036 ( 2.307 0.000 13.553) 13.748 20.077 ( 5.969 0.000 4.437) 7.437 21.038 ( -1.126 0.000 5.207) 5.327 21.047 ( -8.760 0.000 6.226) 10.747 21.070 ( -0.189 0.000 -5.967) 5.970 21.379 ( -0.460 0.000 -10.980) 10.990 22.040 ( -1.915 0.000 4.871) 5.233 22.201 ( 1.666 0.000 -7.768) 7.944 22.907 ( -1.888 0.000 2.674) 3.273 23.066 ( 1.252 0.000 -5.803) 5.936 23.481 ( 2.258 0.000 1.059) 2.494 23.552 ( 2.076 0.000 -0.239) 2.090 23.846 ( -0.778 0.000 3.281) 3.372 23.930 ( 1.782 0.000 -4.352) 4.703 ======================= Grid point 107 (55/72) ======================= q-point: (-0.60 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -12.253 0.000 4.273) 12.977 1.826 ( -5.001 0.000 -8.408) 9.783 1.828 ( -18.227 0.000 -0.444) 18.233 2.055 ( -6.296 0.000 -15.201) 16.453 2.180 ( 4.531 0.000 15.886) 16.520 2.356 ( 3.768 0.000 7.135) 8.069 2.414 ( -3.233 0.000 8.575) 9.164 2.475 ( 1.657 0.000 -3.218) 3.620 2.724 ( -6.737 0.000 -7.991) 10.452 2.727 ( -7.709 0.000 -6.587) 10.140 2.803 ( -0.172 0.000 7.453) 7.455 2.846 ( -3.618 0.000 13.636) 14.108 3.054 ( -4.560 0.000 -0.052) 4.560 3.100 ( 0.019 0.000 -4.078) 4.078 3.124 ( -4.105 0.000 0.839) 4.190 3.165 ( 4.639 0.000 -5.783) 7.413 3.227 ( 3.156 0.000 -9.024) 9.560 3.419 ( 1.522 0.000 -11.708) 11.807 3.776 ( 6.210 0.000 4.489) 7.662 3.882 ( -11.209 0.000 11.791) 16.268 3.925 ( -2.503 0.000 -2.558) 3.579 4.093 ( 4.003 0.000 -4.472) 6.002 4.186 ( 0.604 0.000 6.837) 6.864 4.241 ( 3.573 0.000 -5.984) 6.970 4.533 ( -0.475 0.000 3.909) 3.937 4.658 ( 5.024 0.000 5.302) 7.304 4.662 ( -1.937 0.000 1.756) 2.615 4.791 ( 4.399 0.000 -5.975) 7.420 5.048 ( 2.380 0.000 10.913) 11.170 5.048 ( -2.994 0.000 7.192) 7.791 5.135 ( 11.857 0.000 9.584) 15.246 5.232 ( 5.456 0.000 -5.133) 7.491 5.388 ( -2.126 0.000 6.798) 7.123 5.626 ( 4.822 0.000 -2.420) 5.395 5.728 ( 3.911 0.000 -4.013) 5.604 5.819 ( 1.767 0.000 -0.349) 1.801 5.967 ( 0.350 0.000 -1.375) 1.419 6.088 ( -1.064 0.000 6.564) 6.650 6.235 ( 6.150 0.000 -2.453) 6.621 6.240 ( 0.689 0.000 -5.123) 5.170 6.335 ( -1.116 0.000 -7.217) 7.303 6.418 ( -2.299 0.000 -2.145) 3.145 6.701 ( -2.698 0.000 -5.440) 6.072 6.770 ( -10.824 0.000 -5.324) 12.062 7.006 ( 12.160 0.000 3.227) 12.580 7.014 ( 4.243 0.000 3.104) 5.258 7.282 ( -7.385 0.000 3.215) 8.055 7.297 ( -6.140 0.000 -4.362) 7.532 8.273 ( -3.378 0.000 1.452) 3.677 8.287 ( 1.564 0.000 -0.467) 1.632 8.441 ( 0.057 0.000 8.251) 8.251 8.477 ( 1.586 0.000 1.268) 2.031 8.585 ( -1.862 0.000 -2.979) 3.513 8.678 ( -0.604 0.000 -7.228) 7.253 9.038 ( 5.054 0.000 -1.367) 5.235 9.040 ( -6.400 0.000 6.767) 9.314 9.261 ( -0.346 0.000 7.164) 7.173 9.292 ( -6.564 0.000 7.298) 9.816 9.361 ( 0.615 0.000 -6.610) 6.639 9.379 ( -0.718 0.000 -6.834) 6.871 9.630 ( 7.062 0.000 -4.399) 8.321 9.649 ( 3.387 0.000 -4.452) 5.594 9.738 ( -4.536 0.000 0.945) 4.633 9.886 ( 2.824 0.000 -10.751) 11.116 10.304 ( 2.887 0.000 -0.112) 2.889 10.514 ( -6.837 0.000 -2.397) 7.245 10.654 ( 3.633 0.000 1.016) 3.773 10.795 ( -5.719 0.000 0.134) 5.721 11.317 ( 3.495 0.000 2.585) 4.347 11.370 ( 8.046 0.000 1.173) 8.131 11.499 ( 6.024 0.000 9.598) 11.332 11.578 ( 7.071 0.000 5.712) 9.090 11.969 ( -7.644 0.000 -6.160) 9.817 12.139 ( -11.116 0.000 0.170) 11.118 12.341 ( 0.849 0.000 -0.787) 1.158 12.563 ( -1.466 0.000 -8.297) 8.425 13.947 ( -3.024 0.000 9.075) 9.566 14.055 ( -0.388 0.000 6.804) 6.815 14.074 ( 4.745 0.000 -5.444) 7.222 14.214 ( 1.884 0.000 -7.147) 7.392 19.653 ( -1.800 0.000 1.366) 2.260 19.693 ( -3.048 0.000 0.813) 3.154 20.161 ( -1.860 0.000 17.064) 17.165 20.293 ( 12.417 0.000 1.109) 12.467 20.898 ( -5.838 0.000 2.693) 6.429 20.985 ( -3.809 0.000 -7.852) 8.727 21.066 ( 0.020 0.000 5.168) 5.168 21.279 ( -2.189 0.000 -8.327) 8.610 22.036 ( -1.359 0.000 4.462) 4.664 22.169 ( 0.103 0.000 -6.386) 6.387 22.909 ( 0.219 0.000 2.911) 2.919 23.023 ( -1.310 0.000 -4.440) 4.629 23.561 ( 4.196 0.000 -1.191) 4.362 23.576 ( 0.108 0.000 0.106) 0.152 23.850 ( -1.087 0.000 3.552) 3.715 23.936 ( 1.528 0.000 -4.505) 4.757 ======================= Grid point 108 (56/72) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.561 ( -9.454 0.000 11.368) 14.785 1.573 ( -4.145 0.000 22.555) 22.933 1.850 ( 9.073 0.000 0.831) 9.111 1.908 ( 3.691 0.000 -10.678) 11.298 2.392 ( 2.116 0.000 4.175) 4.680 2.402 ( 5.213 0.000 9.150) 10.531 2.448 ( -4.570 0.000 -6.150) 7.662 2.556 ( 7.049 0.000 -7.819) 10.527 2.563 ( -0.208 0.000 4.622) 4.627 2.671 ( 5.529 0.000 -3.114) 6.346 2.827 ( -4.853 0.000 15.058) 15.821 2.847 ( -0.554 0.000 10.030) 10.045 2.976 ( -0.782 0.000 -5.202) 5.260 3.069 ( -3.125 0.000 2.493) 3.998 3.097 ( -0.639 0.000 4.838) 4.880 3.211 ( 2.118 0.000 -9.037) 9.281 3.306 ( 8.566 0.000 -3.554) 9.274 3.373 ( 3.952 0.000 -15.879) 16.364 3.701 ( -13.077 0.000 16.967) 21.421 3.821 ( -6.335 0.000 -1.255) 6.459 3.911 ( 4.039 0.000 2.189) 4.594 4.066 ( -2.903 0.000 -2.686) 3.955 4.256 ( 1.684 0.000 -1.145) 2.036 4.344 ( 8.574 0.000 -5.918) 10.418 4.571 ( 0.862 0.000 3.027) 3.147 4.579 ( -3.294 0.000 -0.499) 3.331 4.659 ( -6.536 0.000 7.598) 10.023 4.796 ( -2.689 0.000 -4.331) 5.098 5.037 ( -2.266 0.000 6.226) 6.625 5.142 ( 0.267 0.000 2.020) 2.038 5.261 ( 1.283 0.000 -6.104) 6.237 5.300 ( 4.258 0.000 -6.987) 8.182 5.485 ( 3.330 0.000 10.103) 10.637 5.607 ( -1.255 0.000 -7.289) 7.396 5.754 ( -4.265 0.000 -5.841) 7.232 5.812 ( 0.672 0.000 0.966) 1.176 6.066 ( 3.705 0.000 6.553) 7.528 6.085 ( -9.143 0.000 -10.639) 14.028 6.113 ( 0.786 0.000 4.522) 4.589 6.284 ( -3.186 0.000 -5.363) 6.238 6.299 ( 0.337 0.000 -5.871) 5.880 6.408 ( 3.451 0.000 1.874) 3.927 6.606 ( -1.760 0.000 1.658) 2.418 6.676 ( 6.659 0.000 0.758) 6.702 7.068 ( -4.446 0.000 -1.312) 4.636 7.106 ( -5.049 0.000 -3.709) 6.265 7.170 ( 1.068 0.000 5.998) 6.092 7.301 ( 7.291 0.000 1.433) 7.431 8.242 ( -1.109 0.000 2.283) 2.538 8.308 ( 0.573 0.000 -0.286) 0.641 8.507 ( 0.782 0.000 8.560) 8.595 8.526 ( 1.958 0.000 2.148) 2.907 8.544 ( -0.508 0.000 -6.229) 6.250 8.631 ( 1.933 0.000 -8.253) 8.476 8.932 ( -6.942 0.000 6.309) 9.381 9.068 ( -1.034 0.000 4.954) 5.060 9.287 ( -2.360 0.000 2.038) 3.118 9.311 ( -1.711 0.000 7.184) 7.385 9.384 ( 3.217 0.000 0.850) 3.328 9.394 ( 9.746 0.000 -6.655) 11.801 9.529 ( -2.734 0.000 -9.568) 9.951 9.605 ( -9.185 0.000 4.209) 10.103 9.771 ( 9.110 0.000 -5.958) 10.886 9.987 ( 10.073 0.000 -14.935) 18.015 10.335 ( -7.464 0.000 -2.161) 7.771 10.435 ( 5.310 0.000 4.722) 7.106 10.680 ( -3.276 0.000 -1.165) 3.477 10.780 ( 6.261 0.000 1.351) 6.405 11.352 ( -3.811 0.000 1.621) 4.142 11.370 ( -3.350 0.000 -2.325) 4.078 11.601 ( -3.160 0.000 5.207) 6.091 11.673 ( -4.421 0.000 -6.462) 7.830 11.919 ( -1.934 0.000 -1.510) 2.454 12.038 ( 15.559 0.000 8.900) 17.925 12.418 ( 2.266 0.000 4.757) 5.269 12.433 ( -5.307 0.000 -8.681) 10.174 13.966 ( -1.647 0.000 6.561) 6.765 14.026 ( -5.735 0.000 8.462) 10.222 14.095 ( 1.806 0.000 -5.823) 6.097 14.214 ( 1.554 0.000 -6.913) 7.085 19.649 ( -1.556 0.000 1.742) 2.336 19.664 ( 1.090 0.000 3.391) 3.562 20.148 ( -7.782 0.000 12.067) 14.359 20.534 ( 8.514 0.000 -15.717) 17.875 20.874 ( 0.990 0.000 3.038) 3.195 20.881 ( 1.526 0.000 4.116) 4.390 21.107 ( -0.145 0.000 7.515) 7.516 21.195 ( -1.053 0.000 -6.516) 6.601 22.041 ( -1.233 0.000 4.936) 5.087 22.136 ( 0.388 0.000 -4.176) 4.193 22.943 ( 0.737 0.000 3.284) 3.366 22.974 ( -0.765 0.000 -3.158) 3.250 23.557 ( -1.615 0.000 -0.783) 1.795 23.611 ( 1.602 0.000 -3.281) 3.652 23.847 ( -1.394 0.000 3.769) 4.019 23.935 ( 1.139 0.000 -4.331) 4.479 ======================= Grid point 109 (57/72) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 2.856 0.000 20.218) 20.419 1.727 ( -0.985 0.000 26.328) 26.346 2.058 ( 11.255 0.000 -2.680) 11.570 2.148 ( 14.034 0.000 9.068) 16.709 2.318 ( -0.070 0.000 -5.900) 5.900 2.480 ( -2.454 0.000 -5.762) 6.263 2.496 ( 4.658 0.000 0.626) 4.700 2.573 ( 4.136 0.000 -6.537) 7.735 2.696 ( 5.028 0.000 12.370) 13.353 2.804 ( 6.195 0.000 -2.038) 6.521 2.862 ( -1.578 0.000 9.400) 9.532 2.947 ( 1.447 0.000 -2.409) 2.810 2.960 ( 5.213 0.000 3.486) 6.271 2.990 ( -7.003 0.000 5.305) 8.785 3.129 ( 1.816 0.000 4.941) 5.264 3.237 ( 4.015 0.000 -0.174) 4.019 3.433 ( 8.786 0.000 -7.442) 11.514 3.444 ( 6.757 0.000 -4.315) 8.017 3.581 ( -8.016 0.000 14.149) 16.262 3.650 ( -8.274 0.000 -1.011) 8.336 3.938 ( -2.804 0.000 -0.695) 2.889 4.000 ( -0.547 0.000 -3.821) 3.860 4.199 ( -3.741 0.000 -0.096) 3.742 4.428 ( -1.537 0.000 4.253) 4.522 4.518 ( -5.329 0.000 1.543) 5.548 4.609 ( 0.065 0.000 -3.694) 3.695 4.641 ( -0.185 0.000 2.327) 2.335 4.644 ( -0.810 0.000 -6.208) 6.261 5.022 ( -2.186 0.000 0.504) 2.244 5.057 ( -3.959 0.000 -10.108) 10.856 5.209 ( -2.289 0.000 -7.033) 7.396 5.282 ( -1.268 0.000 -7.993) 8.093 5.400 ( -14.421 0.000 -0.743) 14.440 5.494 ( -4.300 0.000 -9.259) 10.209 5.709 ( 3.397 0.000 -2.150) 4.020 5.742 ( 0.507 0.000 6.501) 6.520 5.990 ( -0.600 0.000 -2.886) 2.947 6.042 ( -5.163 0.000 3.411) 6.188 6.198 ( 1.247 0.000 3.483) 3.699 6.259 ( 1.440 0.000 -8.083) 8.211 6.306 ( 6.740 0.000 -0.684) 6.774 6.435 ( 0.286 0.000 -0.199) 0.349 6.646 ( 1.801 0.000 5.411) 5.703 6.875 ( -10.868 0.000 -4.642) 11.818 6.946 ( 9.177 0.000 5.961) 10.943 6.966 ( 1.225 0.000 -5.862) 5.989 7.322 ( 4.444 0.000 8.484) 9.578 7.389 ( -0.417 0.000 2.237) 2.276 8.255 ( 1.602 0.000 0.887) 1.831 8.305 ( -1.617 0.000 4.697) 4.968 8.446 ( -4.569 0.000 -3.149) 5.549 8.549 ( 0.224 0.000 -1.871) 1.885 8.609 ( 3.788 0.000 4.539) 5.913 8.690 ( 6.496 0.000 -5.328) 8.402 8.891 ( 1.194 0.000 3.574) 3.768 9.136 ( 2.864 0.000 4.786) 5.577 9.274 ( 1.065 0.000 3.125) 3.301 9.274 ( -6.476 0.000 8.483) 10.673 9.341 ( -3.911 0.000 0.994) 4.036 9.396 ( -8.933 0.000 -2.359) 9.239 9.511 ( 4.256 0.000 -10.512) 11.341 9.603 ( 8.619 0.000 -5.011) 9.970 9.922 ( 4.740 0.000 -2.332) 5.283 10.039 ( 4.306 0.000 -17.672) 18.189 10.253 ( 1.715 0.000 3.735) 4.110 10.510 ( 1.458 0.000 3.530) 3.819 10.726 ( 6.714 0.000 -0.336) 6.722 10.904 ( 4.547 0.000 0.600) 4.587 11.164 ( -11.271 0.000 0.334) 11.276 11.274 ( -4.615 0.000 -3.183) 5.606 11.435 ( -11.074 0.000 -0.469) 11.083 11.458 ( -9.824 0.000 -8.061) 12.708 12.092 ( 11.206 0.000 5.450) 12.461 12.283 ( -2.905 0.000 -4.487) 5.346 12.462 ( -1.172 0.000 5.827) 5.944 12.462 ( 17.740 0.000 2.765) 17.954 13.833 ( -10.396 0.000 5.773) 11.891 14.059 ( -0.625 0.000 10.265) 10.284 14.079 ( -0.385 0.000 -7.593) 7.602 14.190 ( 1.702 0.000 -6.191) 6.421 19.663 ( 1.121 0.000 4.010) 4.164 19.729 ( 2.639 0.000 3.673) 4.523 20.044 ( -7.082 0.000 6.607) 9.686 20.343 ( -10.219 0.000 -15.166) 18.288 20.959 ( 1.891 0.000 5.299) 5.626 21.081 ( 5.190 0.000 -1.131) 5.311 21.151 ( -1.589 0.000 10.217) 10.339 21.207 ( 11.376 0.000 -6.565) 13.134 22.047 ( -1.559 0.000 5.720) 5.929 22.141 ( 2.662 0.000 -3.530) 4.422 22.963 ( 1.867 0.000 -2.349) 3.001 22.968 ( -0.878 0.000 3.631) 3.736 23.514 ( -1.048 0.000 -1.962) 2.224 23.581 ( -2.237 0.000 -3.373) 4.047 23.844 ( -1.222 0.000 3.692) 3.889 23.926 ( 0.771 0.000 -4.152) 4.223 ======================= Grid point 110 (58/72) ======================= q-point: ( 0.00 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( 0.094 -8.429 20.217) 21.904 1.873 ( -2.563 0.418 21.653) 21.808 2.040 ( -0.840 -12.595 -7.452) 14.658 2.226 ( 4.758 -11.670 4.428) 13.358 2.271 ( 4.847 -2.110 -13.679) 14.665 2.377 ( -3.829 -8.187 -4.399) 10.051 2.627 ( 6.588 2.084 4.047) 8.008 2.632 ( -1.569 -3.706 3.194) 5.138 2.692 ( -6.689 1.223 0.449) 6.814 2.728 ( 0.470 -3.920 -3.231) 5.102 2.831 ( 5.814 -4.731 0.351) 7.503 2.907 ( -9.096 1.956 -2.790) 9.713 3.015 ( -4.474 3.117 2.076) 5.835 3.070 ( 5.459 -0.014 -6.256) 8.303 3.301 ( -2.605 4.024 6.805) 8.324 3.425 ( 2.676 5.305 -5.295) 7.958 3.548 ( 5.465 3.284 7.404) 9.771 3.603 ( -3.233 6.404 11.983) 13.966 3.659 ( 0.914 9.726 4.211) 10.638 3.772 ( 6.183 11.106 4.027) 13.334 3.797 ( -2.702 0.700 -4.349) 5.168 4.037 ( 3.173 3.519 -3.506) 5.894 4.202 ( -0.850 2.720 2.084) 3.530 4.299 ( -3.437 -7.718 3.744) 9.241 4.421 ( -2.194 4.614 1.027) 5.211 4.551 ( 0.847 5.498 -7.412) 9.268 4.625 ( -2.190 2.469 2.931) 4.414 4.743 ( 2.864 -3.925 -6.405) 8.039 4.862 ( -2.645 3.170 2.857) 5.021 5.033 ( -3.350 5.488 -9.872) 11.782 5.152 ( -3.118 3.355 2.859) 5.400 5.201 ( -2.478 1.560 1.214) 3.169 5.319 ( -1.192 6.945 -2.735) 7.559 5.360 ( 0.235 -1.805 -6.810) 7.049 5.809 ( -0.473 1.423 4.370) 4.620 5.870 ( -0.144 -1.710 6.801) 7.015 5.921 ( 4.336 1.089 -5.133) 6.806 6.030 ( 1.140 2.371 -5.573) 6.163 6.203 ( -5.565 3.974 1.057) 6.920 6.258 ( 4.780 -0.136 -5.802) 7.519 6.460 ( 7.111 -0.694 4.351) 8.366 6.520 ( 1.543 1.218 3.430) 3.953 6.584 ( -4.463 -0.146 -2.957) 5.356 6.648 ( -1.664 0.003 -8.052) 8.222 7.025 ( -4.299 -3.101 0.358) 5.313 7.041 ( 5.318 -2.502 -0.631) 5.911 7.318 ( 3.299 -4.797 6.364) 8.625 7.389 ( -3.696 -1.766 0.552) 4.133 8.274 ( -3.492 -1.345 7.676) 8.540 8.323 ( 1.704 -0.250 0.381) 1.764 8.381 ( -0.872 0.990 2.345) 2.691 8.500 ( -0.623 -2.066 -3.608) 4.204 8.693 ( 3.705 -0.810 -1.669) 4.143 8.727 ( 1.016 -0.749 -5.910) 6.044 8.984 ( 4.976 -5.612 3.362) 8.219 9.049 ( -5.242 -5.796 -0.330) 7.822 9.130 ( -3.125 -2.353 3.772) 5.434 9.189 ( -0.020 -2.564 -0.958) 2.738 9.413 ( 4.367 -0.872 8.818) 9.879 9.478 ( -3.307 6.871 1.423) 7.757 9.526 ( 1.897 3.940 -5.855) 7.308 9.683 ( 1.643 1.961 -9.233) 9.581 9.915 ( -2.103 0.994 -5.797) 6.246 9.936 ( 1.202 -0.038 -7.854) 7.946 10.424 ( 6.162 0.139 4.317) 7.525 10.520 ( -1.301 -3.201 -4.614) 5.765 10.801 ( 8.850 -5.495 4.310) 11.274 10.867 ( -10.500 -3.262 -2.209) 11.214 10.954 ( 0.704 -10.440 5.568) 11.853 11.040 ( -4.438 -12.498 -2.632) 13.521 11.220 ( 5.108 1.143 1.966) 5.592 11.286 ( -7.958 3.182 -4.006) 9.461 12.356 ( -0.411 8.774 0.621) 8.806 12.388 ( 1.679 10.262 -1.972) 10.584 12.547 ( 1.971 4.607 7.801) 9.271 12.715 ( 2.236 2.432 -7.886) 8.550 13.759 ( -0.715 0.842 10.919) 10.975 13.945 ( -2.222 -3.873 -2.068) 4.921 14.084 ( -1.011 -0.179 0.762) 1.279 14.194 ( 2.631 -1.892 -5.559) 6.435 19.726 ( 1.495 -0.375 5.626) 5.833 19.802 ( -0.223 0.285 -0.682) 0.772 19.978 ( -1.289 0.763 7.053) 7.211 20.083 ( -6.740 1.220 -2.513) 7.296 20.992 ( 0.730 -2.524 3.327) 4.239 21.032 ( -1.809 -4.367 0.084) 4.727 21.142 ( -1.453 -2.140 6.948) 7.414 21.314 ( 4.142 -6.239 -7.416) 10.539 22.084 ( -2.047 3.304 6.047) 7.188 22.250 ( 4.231 5.633 -8.892) 11.345 22.836 ( -2.321 -9.363 3.739) 10.346 22.930 ( 2.862 -7.489 -4.805) 9.347 23.513 ( -2.034 1.094 1.129) 2.571 23.559 ( 1.861 2.787 -2.977) 4.483 23.915 ( -1.385 6.562 2.599) 7.192 23.980 ( 1.815 5.623 -3.521) 6.878 ======================= Grid point 111 (59/72) ======================= q-point: ( 0.20 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( -5.613 -10.441 6.189) 13.373 1.937 ( -7.689 -5.229 8.399) 12.530 2.065 ( -4.849 -4.135 6.749) 9.282 2.095 ( 0.665 -10.500 -4.758) 11.547 2.236 ( 2.998 -2.595 -14.697) 15.222 2.346 ( -3.351 -7.007 7.072) 10.504 2.439 ( -11.608 7.855 0.071) 14.016 2.596 ( -10.092 2.938 0.418) 10.519 2.642 ( -0.615 -5.498 -0.921) 5.608 2.762 ( 1.184 -0.771 0.556) 1.518 2.819 ( 1.877 -2.817 -1.685) 3.781 2.940 ( 0.410 -4.545 1.764) 4.892 3.041 ( 5.222 -4.902 2.446) 7.569 3.160 ( 2.179 5.487 0.076) 5.904 3.224 ( -2.990 4.890 3.226) 6.577 3.299 ( -12.938 6.943 -8.859) 17.149 3.441 ( -6.380 6.467 2.453) 9.410 3.575 ( -1.856 8.719 -5.941) 10.713 3.723 ( 4.065 6.907 -2.493) 8.393 3.844 ( 1.679 -1.078 3.117) 3.701 3.967 ( 5.423 4.417 6.454) 9.517 4.054 ( 3.320 3.177 -8.092) 9.306 4.220 ( -4.007 4.064 9.881) 11.411 4.258 ( -0.295 -0.630 -0.725) 1.005 4.432 ( 2.895 1.863 -0.304) 3.456 4.522 ( -1.056 -3.928 5.008) 6.452 4.702 ( 2.631 0.789 -4.888) 5.607 4.733 ( 2.148 4.435 -1.890) 5.278 4.868 ( 4.060 1.787 6.205) 7.627 4.969 ( 0.829 4.595 5.806) 7.450 5.128 ( 0.175 3.485 1.819) 3.935 5.196 ( -0.835 2.874 3.267) 4.431 5.334 ( 3.298 0.216 0.774) 3.394 5.498 ( 10.870 3.483 0.280) 11.417 5.741 ( -3.997 -0.614 -1.476) 4.305 5.836 ( -3.585 -3.409 -0.085) 4.948 6.010 ( 4.204 5.437 -5.530) 8.821 6.073 ( 4.885 -0.606 -1.904) 5.278 6.084 ( -5.047 0.583 2.027) 5.470 6.310 ( 0.775 1.416 -2.733) 3.174 6.446 ( -3.502 -1.765 -8.950) 9.771 6.491 ( -1.316 3.692 -1.120) 4.076 6.675 ( 7.805 -0.496 -0.904) 7.873 6.745 ( 8.335 -1.783 4.360) 9.574 6.887 ( -3.676 0.104 1.622) 4.019 7.063 ( -3.500 -0.889 -4.488) 5.760 7.290 ( -5.313 -5.571 -0.679) 7.728 7.410 ( 0.985 -1.828 4.348) 4.818 8.248 ( -0.644 -1.096 3.070) 3.323 8.361 ( -2.930 0.807 1.761) 3.512 8.399 ( -0.574 0.034 4.820) 4.855 8.471 ( 2.390 1.141 -1.488) 3.038 8.671 ( -2.803 -1.205 -4.472) 5.414 8.734 ( 1.341 1.646 -3.970) 4.502 8.936 ( 1.648 -5.415 -3.234) 6.519 9.039 ( -5.026 -3.338 6.079) 8.565 9.207 ( -0.695 -3.227 2.551) 4.172 9.221 ( 8.590 -8.029 1.158) 11.815 9.397 ( -5.512 1.125 0.986) 5.712 9.400 ( -6.334 -4.447 0.239) 7.743 9.565 ( 4.672 5.437 -4.113) 8.265 9.719 ( 6.706 10.522 -6.631) 14.130 9.805 ( -4.107 0.742 -2.611) 4.923 9.934 ( 0.331 -0.940 -3.068) 3.225 10.351 ( -7.904 -3.350 -5.514) 10.203 10.525 ( 2.231 -2.302 -1.110) 3.393 10.673 ( -6.927 -3.022 -1.186) 7.650 10.944 ( -4.834 -8.432 -1.089) 9.780 11.020 ( -1.576 -2.362 5.413) 6.112 11.057 ( 8.988 -7.225 3.897) 12.172 11.152 ( 8.581 -10.023 4.213) 13.850 11.492 ( 10.396 3.229 3.245) 11.359 12.271 ( -8.873 8.058 -0.828) 12.015 12.381 ( -0.015 12.012 -1.957) 12.170 12.517 ( -5.288 4.128 -1.455) 6.864 12.670 ( -0.874 3.819 -5.299) 6.590 13.890 ( 3.510 -0.548 7.696) 8.476 13.954 ( 3.426 -2.206 2.347) 4.703 14.055 ( -0.687 0.977 -0.762) 1.417 14.204 ( 1.848 -2.331 -6.220) 6.894 19.730 ( -3.338 0.742 -1.013) 3.566 19.764 ( -2.506 1.026 1.822) 3.264 19.975 ( 0.324 -2.947 8.310) 8.824 20.133 ( 5.109 2.269 7.043) 8.992 20.949 ( -5.644 -5.942 1.670) 8.364 21.033 ( 0.550 -0.640 2.654) 2.784 21.116 ( -3.034 1.246 0.917) 3.405 21.297 ( -0.701 -7.448 -7.136) 10.339 22.077 ( -2.075 3.500 5.290) 6.674 22.258 ( 2.313 5.237 -9.523) 11.112 22.823 ( -0.988 -7.600 3.564) 8.453 22.961 ( 2.403 -8.861 -4.993) 10.451 23.464 ( -1.511 0.671 1.579) 2.287 23.602 ( 2.076 0.833 -2.009) 3.007 23.917 ( 0.026 7.295 2.115) 7.595 23.998 ( 1.929 5.823 -3.670) 7.148 ======================= Grid point 112 (60/72) ======================= q-point: (-0.60 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( -9.040 -3.824 7.006) 12.059 1.732 ( -0.769 -4.760 1.150) 4.957 2.051 ( -16.104 9.968 -2.560) 19.112 2.075 ( -5.057 1.824 -9.413) 10.840 2.174 ( 3.997 -1.781 14.314) 14.968 2.298 ( 3.741 -6.921 -0.390) 7.877 2.373 ( 2.063 0.403 8.233) 8.497 2.446 ( -4.839 1.046 -0.543) 4.981 2.601 ( -1.500 -4.685 -5.804) 7.608 2.726 ( -3.842 -3.552 -1.479) 5.437 2.779 ( -4.693 1.145 -7.239) 8.702 2.901 ( -3.348 -5.023 -10.311) 11.948 3.046 ( 2.966 -2.067 2.267) 4.267 3.106 ( -2.934 5.439 10.598) 12.268 3.146 ( -6.989 9.950 8.708) 14.956 3.215 ( 0.335 3.479 -1.096) 3.663 3.415 ( 4.429 9.444 -8.479) 13.442 3.494 ( -0.816 6.272 -10.205) 12.006 3.832 ( 5.832 5.566 3.122) 8.645 3.853 ( -4.276 -0.418 8.019) 9.097 4.022 ( -3.830 6.523 1.257) 7.669 4.108 ( 2.658 1.250 -2.531) 3.877 4.146 ( -2.670 -0.776 5.871) 6.497 4.248 ( 1.957 -0.067 -4.441) 4.853 4.503 ( 3.228 -7.766 0.054) 8.411 4.580 ( 2.010 -7.478 4.154) 8.787 4.651 ( -3.853 -0.285 1.818) 4.269 4.771 ( 2.054 4.117 -7.314) 8.641 5.026 ( 0.767 -0.379 8.254) 8.298 5.136 ( 9.787 3.950 0.560) 10.569 5.212 ( 3.913 1.085 4.731) 6.235 5.220 ( 2.641 6.092 8.787) 11.014 5.369 ( -1.392 -1.132 4.080) 4.457 5.695 ( 1.416 -4.049 -1.978) 4.723 5.700 ( 3.844 5.938 -1.340) 7.199 5.783 ( 0.141 -4.173 -0.408) 4.195 5.987 ( -0.827 2.089 -1.746) 2.846 6.046 ( -0.942 -2.667 4.381) 5.214 6.202 ( 6.819 -3.440 -0.775) 7.677 6.267 ( -1.294 0.665 -8.068) 8.198 6.328 ( -0.092 2.474 -4.323) 4.982 6.454 ( -3.967 1.935 -3.052) 5.367 6.700 ( -0.133 0.819 -6.823) 6.873 6.799 ( -6.964 1.586 -1.202) 7.243 6.942 ( 3.087 -2.090 -0.171) 3.731 7.061 ( 5.728 -0.703 1.117) 5.878 7.191 ( 0.578 -1.476 1.332) 2.071 7.389 ( -5.262 2.949 1.761) 6.284 8.265 ( 0.131 0.101 1.258) 1.269 8.303 ( -1.298 1.620 -0.009) 2.076 8.425 ( -0.196 -0.862 6.502) 6.561 8.503 ( -1.081 -0.219 2.119) 2.389 8.612 ( 1.923 4.299 -4.490) 6.507 8.698 ( -2.194 2.541 -4.705) 5.780 8.990 ( -0.881 -4.681 2.913) 5.583 9.039 ( 2.960 -1.595 2.579) 4.238 9.215 ( -0.244 -2.300 4.358) 4.933 9.239 ( -5.378 -4.721 4.146) 8.270 9.289 ( -0.382 -4.120 -4.127) 5.844 9.373 ( 1.753 -4.031 -0.074) 4.396 9.614 ( -1.866 1.008 -4.136) 4.647 9.675 ( 0.374 -1.989 -11.848) 12.019 9.799 ( -1.763 7.384 3.310) 8.282 9.944 ( 6.359 5.288 -8.369) 11.766 10.253 ( 1.491 -4.648 2.894) 5.675 10.510 ( -5.551 -1.451 -4.348) 7.199 10.595 ( 3.928 -5.449 -0.187) 6.720 10.759 ( -8.729 -4.286 -1.116) 9.788 11.108 ( 3.748 -14.794 5.854) 16.346 11.285 ( 2.942 -10.609 -2.035) 11.196 11.354 ( 11.322 -5.048 8.284) 14.910 11.644 ( 0.552 -1.657 1.402) 2.240 12.070 ( -6.120 12.090 2.779) 13.832 12.327 ( -5.977 13.640 -5.367) 15.829 12.440 ( 2.311 8.964 -0.533) 9.272 12.608 ( -1.896 4.142 -5.468) 7.117 13.937 ( -2.149 -0.790 8.466) 8.770 14.048 ( 0.221 -0.617 6.165) 6.200 14.078 ( 3.260 0.044 -4.868) 5.859 14.200 ( 2.585 -1.381 -7.371) 7.932 19.669 ( -1.940 1.638 1.550) 2.975 19.709 ( -2.894 1.549 0.778) 3.374 20.087 ( 1.433 -5.757 12.479) 13.818 20.275 ( 5.259 -3.241 1.722) 6.413 20.855 ( -3.003 -2.203 2.848) 4.689 21.026 ( -4.200 2.253 -3.848) 6.126 21.073 ( 1.344 0.657 2.687) 3.075 21.220 ( -2.584 -5.573 -4.316) 7.508 22.072 ( -1.546 3.529 5.021) 6.329 22.231 ( 1.110 5.859 -8.442) 10.335 22.841 ( 0.190 -6.564 3.659) 7.517 22.954 ( 0.239 -6.427 -4.526) 7.864 23.487 ( 1.990 -2.359 2.195) 3.787 23.599 ( -0.788 -1.483 -2.762) 3.232 23.938 ( 0.710 7.804 1.368) 7.955 24.005 ( 0.864 5.757 -3.509) 6.797 ======================= Grid point 113 (61/72) ======================= q-point: (-0.40 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -3.012 4.475 15.159) 16.090 1.672 ( -10.103 7.427 14.414) 19.105 1.796 ( 1.135 0.352 -4.203) 4.368 2.076 ( 11.422 7.993 -3.253) 14.315 2.296 ( -4.446 -10.796 1.606) 11.786 2.357 ( 2.952 -3.593 4.240) 6.293 2.418 ( 5.618 0.667 4.679) 7.341 2.469 ( -3.789 -0.434 -4.508) 5.905 2.532 ( 4.603 -4.041 -2.848) 6.755 2.667 ( 6.197 1.927 0.775) 6.535 2.740 ( 0.218 -2.123 -0.748) 2.262 2.820 ( 0.425 -8.119 -4.799) 9.441 3.042 ( -5.942 2.274 4.359) 7.712 3.127 ( -0.145 6.892 6.296) 9.336 3.154 ( 0.772 8.044 9.551) 12.511 3.301 ( 6.344 0.476 0.435) 6.377 3.376 ( -0.962 9.099 -7.510) 11.837 3.476 ( 6.351 8.953 -12.973) 16.994 3.748 ( -11.002 4.173 14.179) 18.426 3.879 ( -7.884 5.729 3.261) 10.277 3.964 ( 2.530 4.805 -3.205) 6.305 4.082 ( -2.793 2.524 -0.741) 3.837 4.200 ( 3.088 -4.561 2.456) 6.030 4.328 ( 7.462 -1.086 -6.366) 9.869 4.494 ( -7.050 -12.623 3.673) 14.918 4.590 ( -1.870 -6.928 -0.276) 7.181 4.637 ( 2.659 1.292 1.973) 3.554 4.741 ( 0.214 5.289 -4.673) 7.061 5.030 ( -5.119 -1.583 5.246) 7.498 5.204 ( -1.323 7.470 1.737) 7.783 5.219 ( -0.605 -3.631 -4.004) 5.439 5.343 ( 3.497 1.411 -2.734) 4.658 5.519 ( 6.271 1.282 10.263) 12.095 5.626 ( -3.356 3.491 -8.776) 10.023 5.711 ( -3.311 -4.756 -3.276) 6.657 5.760 ( 1.110 -5.033 0.213) 5.158 6.060 ( 1.225 0.206 6.623) 6.739 6.108 ( 0.529 -0.126 -0.901) 1.052 6.123 ( -1.506 0.132 -3.961) 4.240 6.264 ( 1.413 -2.125 -10.605) 10.908 6.289 ( -6.096 0.395 -0.824) 6.164 6.415 ( 6.206 1.238 2.173) 6.691 6.617 ( -6.769 2.747 -0.738) 7.342 6.742 ( 7.325 5.095 1.539) 9.055 7.014 ( -1.739 -3.593 -3.021) 5.006 7.039 ( 1.186 -4.881 0.690) 5.070 7.226 ( -7.901 4.719 -0.876) 9.245 7.370 ( 6.421 3.923 3.298) 8.216 8.245 ( -2.091 0.276 2.084) 2.965 8.329 ( 2.520 2.433 -1.169) 3.693 8.467 ( 0.430 -1.846 4.256) 4.659 8.506 ( 0.906 -1.912 2.803) 3.512 8.587 ( -3.586 1.934 -3.369) 5.286 8.677 ( 3.966 5.245 -4.279) 7.846 8.902 ( -6.528 -2.747 4.917) 8.622 9.074 ( -0.842 0.242 4.066) 4.160 9.223 ( 1.402 -6.454 0.494) 6.623 9.286 ( -2.712 -0.261 0.592) 2.788 9.343 ( 2.272 -2.479 5.673) 6.595 9.403 ( 5.798 -2.108 -7.072) 9.385 9.448 ( -1.053 -4.355 -1.798) 4.828 9.679 ( 0.019 1.254 -5.560) 5.700 9.810 ( 4.451 5.384 -0.695) 7.020 10.011 ( 5.471 3.038 -12.237) 13.744 10.326 ( -4.655 -1.836 -1.121) 5.128 10.413 ( 4.387 -2.404 2.228) 5.476 10.597 ( -4.794 -7.165 -0.260) 8.625 10.726 ( 6.978 -5.692 1.881) 9.199 11.196 ( -0.667 -11.982 3.194) 12.418 11.240 ( -2.111 -13.237 -4.102) 14.018 11.494 ( -10.921 -6.529 -3.701) 13.251 11.596 ( 4.252 -3.076 5.134) 7.342 12.150 ( 6.701 10.613 8.161) 14.972 12.190 ( 0.445 17.407 -5.420) 18.236 12.485 ( -2.862 6.034 -0.847) 6.731 12.536 ( 1.588 8.865 -2.040) 9.234 13.960 ( -1.400 -0.717 7.114) 7.286 14.016 ( -6.430 -0.770 7.096) 9.607 14.087 ( 1.567 -0.883 -5.582) 5.865 14.207 ( 1.749 -0.701 -6.968) 7.218 19.654 ( -1.622 0.895 3.209) 3.705 19.691 ( 0.985 2.219 2.126) 3.227 20.108 ( -6.353 -3.715 9.907) 12.341 20.390 ( 6.019 -11.780 -8.544) 15.748 20.880 ( 0.349 0.253 5.248) 5.266 20.927 ( 0.085 3.204 -0.507) 3.245 21.134 ( 1.229 1.153 2.624) 3.118 21.147 ( -0.963 -3.628 -1.478) 4.034 22.077 ( -1.387 3.399 5.415) 6.542 22.206 ( 1.594 6.627 -7.082) 9.829 22.865 ( -0.556 -7.350 3.483) 8.153 22.928 ( 0.311 -4.393 -3.933) 5.904 23.546 ( -1.544 -1.544 -3.074) 3.771 23.550 ( 1.929 -3.130 1.535) 3.984 23.954 ( -0.178 7.850 0.988) 7.913 23.991 ( 0.102 5.162 -3.388) 6.175 ======================= Grid point 114 (62/72) ======================= q-point: (-0.20 0.14 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -1.259 -2.983 16.070) 16.393 1.808 ( -2.543 5.089 23.604) 24.280 1.935 ( 11.930 -6.129 3.333) 13.820 2.163 ( -2.590 -5.802 -6.218) 8.890 2.255 ( 1.937 -12.878 -4.444) 13.760 2.392 ( 5.746 3.338 -1.323) 6.775 2.493 ( 2.778 -1.725 0.140) 3.273 2.604 ( 4.581 -1.483 -5.277) 7.143 2.677 ( 8.026 0.574 1.013) 8.110 2.746 ( 1.093 -3.926 3.009) 5.065 2.775 ( 1.333 -2.515 1.865) 3.403 2.915 ( 9.105 3.146 5.527) 11.106 2.962 ( -3.053 -1.014 4.744) 5.732 3.169 ( -0.098 11.949 4.005) 12.602 3.181 ( -1.978 5.675 3.177) 6.798 3.367 ( 4.403 5.079 -4.943) 8.344 3.435 ( 4.057 0.452 2.105) 4.593 3.549 ( 2.354 8.341 2.576) 9.042 3.644 ( -4.556 5.770 7.604) 10.576 3.728 ( -3.862 10.191 -1.279) 10.973 3.924 ( -3.024 -1.331 -4.551) 5.624 4.022 ( -1.866 2.941 -1.174) 3.675 4.226 ( -1.856 0.900 0.390) 2.099 4.364 ( -6.612 -13.060 6.607) 16.060 4.434 ( 2.482 0.290 2.364) 3.440 4.550 ( 0.241 -1.280 -2.977) 3.250 4.690 ( 1.736 1.175 -1.002) 2.323 4.739 ( -0.248 6.510 -5.523) 8.541 4.912 ( -4.566 -4.268 -0.574) 6.277 5.154 ( -2.572 2.323 -7.891) 8.618 5.180 ( -0.574 2.728 -0.038) 2.788 5.296 ( -4.705 0.649 -3.191) 5.722 5.430 ( -6.663 1.026 -8.663) 10.977 5.565 ( -8.875 6.098 -4.702) 11.750 5.734 ( 1.910 -0.131 1.181) 2.249 5.744 ( 5.554 1.071 4.443) 7.192 5.979 ( -4.168 -0.892 -2.813) 5.106 6.051 ( -2.126 1.305 1.837) 3.098 6.224 ( 2.864 -2.042 -9.213) 9.862 6.254 ( 3.084 2.216 1.535) 4.096 6.295 ( 4.959 0.752 1.682) 5.291 6.480 ( -0.707 3.889 -0.196) 3.957 6.597 ( 2.524 -4.654 7.063) 8.827 6.847 ( -8.742 -2.336 -4.737) 10.213 6.970 ( 7.116 1.627 3.559) 8.121 6.983 ( -1.273 2.267 -5.763) 6.322 7.211 ( 3.147 -6.533 5.251) 8.953 7.440 ( -1.217 1.243 2.098) 2.725 8.237 ( 0.151 -1.186 3.181) 3.399 8.345 ( -1.127 2.722 2.119) 3.629 8.449 ( -4.564 0.848 -1.238) 4.804 8.512 ( -0.068 -3.617 -1.173) 3.803 8.595 ( 4.852 -0.556 2.136) 5.330 8.725 ( 2.763 2.420 -4.263) 5.627 8.866 ( 1.312 -2.158 2.772) 3.750 9.111 ( 0.991 -2.348 0.930) 2.713 9.196 ( -5.620 -5.870 3.435) 8.823 9.240 ( 1.056 -1.466 2.699) 3.248 9.288 ( -3.604 -1.437 2.713) 4.735 9.497 ( 3.081 1.771 -4.724) 5.911 9.536 ( 2.812 -2.331 -4.323) 5.660 9.646 ( 2.390 9.110 -0.597) 9.437 9.936 ( 5.826 -1.239 -7.070) 9.245 9.997 ( 0.755 0.643 -11.115) 11.160 10.270 ( 2.935 0.222 1.101) 3.143 10.484 ( 1.815 -2.569 3.275) 4.541 10.636 ( 5.846 -7.607 1.339) 9.687 10.879 ( 4.866 -5.367 4.224) 8.386 11.109 ( -5.797 -12.606 -3.619) 14.339 11.139 ( -5.771 -1.697 -2.342) 6.455 11.237 ( -9.423 -11.147 -3.850) 15.095 11.552 ( -9.309 1.791 -1.425) 9.586 12.250 ( 8.508 12.968 0.750) 15.528 12.388 ( -2.488 9.129 -1.851) 9.641 12.419 ( 7.494 2.238 6.059) 9.894 12.615 ( 6.032 8.706 0.618) 10.609 13.837 ( -10.054 0.343 5.760) 11.592 14.006 ( -2.973 -3.890 7.062) 8.593 14.085 ( 1.287 -0.692 -4.167) 4.416 14.185 ( 1.465 -0.534 -6.645) 6.825 19.665 ( 0.527 0.606 4.468) 4.540 19.753 ( 2.646 1.963 3.277) 4.647 20.017 ( -5.641 -2.256 4.657) 7.655 20.304 ( -7.289 -4.515 -9.575) 12.853 20.930 ( 3.022 -2.587 2.512) 4.705 21.029 ( 2.389 -2.875 6.357) 7.374 21.102 ( 0.352 -4.327 -0.485) 4.369 21.230 ( 5.029 0.678 0.084) 5.076 22.083 ( -1.647 3.215 5.982) 6.988 22.214 ( 3.601 6.734 -7.048) 10.392 22.858 ( -1.768 -8.523 2.949) 9.190 22.920 ( 0.977 -5.290 -3.441) 6.386 23.507 ( 0.380 -0.457 -2.407) 2.479 23.581 ( -0.237 0.039 0.021) 0.241 23.939 ( -1.903 7.029 1.611) 7.458 23.975 ( 0.750 5.322 -3.302) 6.308 ======================= Grid point 115 (63/72) ======================= q-point: ( 0.00 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( -3.277 -12.208 12.284) 17.625 1.705 ( 1.278 -16.879 -5.803) 17.895 1.950 ( 0.878 1.732 10.189) 10.373 2.023 ( -2.143 -3.888 3.646) 5.745 2.184 ( 2.306 -7.695 -1.732) 8.218 2.307 ( 0.687 -0.244 -11.284) 11.307 2.524 ( -4.521 -6.141 4.532) 8.871 2.613 ( 3.570 -4.023 0.163) 5.381 2.648 ( 5.364 -2.027 1.734) 5.991 2.746 ( -3.490 3.797 1.407) 5.346 2.805 ( -4.329 -1.623 -2.894) 5.454 2.926 ( -4.588 2.191 -8.045) 9.517 3.019 ( 4.383 -2.684 2.632) 5.774 3.091 ( -6.527 2.917 -2.339) 7.522 3.376 ( -6.675 3.097 5.761) 9.346 3.505 ( 4.176 1.785 -7.174) 8.491 3.618 ( 5.122 4.398 8.245) 10.656 3.782 ( -3.228 7.336 -1.917) 8.240 3.820 ( 5.514 6.598 7.380) 11.332 3.862 ( -3.292 8.224 8.708) 12.422 4.003 ( -0.209 9.651 0.484) 9.666 4.135 ( 1.511 4.416 0.316) 4.677 4.145 ( 1.850 -5.043 8.347) 9.926 4.238 ( 2.904 0.273 -3.222) 4.346 4.485 ( 4.021 1.138 1.774) 4.540 4.649 ( -3.498 3.986 -7.679) 9.333 4.679 ( -0.078 2.521 1.249) 2.814 4.689 ( 0.985 2.150 0.867) 2.519 4.982 ( -0.313 6.652 3.607) 7.573 5.142 ( 0.177 4.847 -6.137) 7.822 5.209 ( -3.478 1.814 0.782) 4.000 5.260 ( -1.424 3.855 0.975) 4.224 5.362 ( -2.133 3.923 -2.484) 5.109 5.454 ( -2.387 6.066 -4.483) 7.912 5.760 ( -1.147 -5.761 7.076) 9.196 5.853 ( -3.004 -0.468 -2.161) 3.731 5.998 ( 11.669 5.298 0.346) 12.820 6.065 ( -1.876 1.502 -5.597) 6.091 6.247 ( -0.376 0.512 1.990) 2.089 6.276 ( -0.813 2.018 -1.175) 2.473 6.418 ( 4.725 -3.971 4.990) 7.937 6.544 ( 1.754 -5.125 -1.861) 5.728 6.582 ( 0.601 5.154 -0.246) 5.195 6.667 ( -3.129 2.654 -5.634) 6.969 6.963 ( -3.027 -3.261 -1.105) 4.585 6.994 ( 1.342 -1.385 -4.719) 5.098 7.228 ( 5.228 -4.036 6.009) 8.929 7.333 ( -4.966 -3.779 -2.851) 6.861 8.238 ( -3.127 -2.419 6.181) 7.337 8.290 ( 2.185 -3.405 0.808) 4.126 8.413 ( -1.250 2.661 0.539) 2.989 8.458 ( -0.459 -1.072 -2.345) 2.619 8.682 ( 0.846 -0.111 -2.941) 3.062 8.716 ( 2.297 -1.346 -5.565) 6.169 8.853 ( 3.736 -7.513 4.243) 9.403 8.937 ( -6.954 -5.017 -2.540) 8.943 9.091 ( -0.349 -1.761 2.114) 2.774 9.150 ( -0.801 -1.872 -2.320) 3.087 9.374 ( -2.035 -1.329 9.555) 9.860 9.519 ( 0.435 -0.836 -0.107) 0.949 9.636 ( 5.819 5.242 -0.125) 7.833 9.734 ( -1.201 3.523 -10.811) 11.433 9.964 ( 1.568 6.300 -2.029) 6.802 10.024 ( -1.162 6.265 -6.875) 9.374 10.396 ( 5.182 -3.246 1.305) 6.252 10.437 ( -2.571 -4.953 -2.470) 6.103 10.634 ( 6.774 -12.378 9.033) 16.754 10.724 ( -1.458 -13.460 1.988) 13.684 10.791 ( -1.260 -4.113 -0.551) 4.336 10.838 ( -5.468 -4.854 -5.156) 8.947 11.257 ( 5.812 2.246 2.809) 6.835 11.326 ( -7.499 0.906 -3.232) 8.216 12.533 ( -1.025 8.526 1.853) 8.785 12.586 ( 1.670 8.681 -2.448) 9.173 12.659 ( 3.510 6.463 4.456) 8.599 12.769 ( -1.379 2.719 -5.391) 6.193 13.776 ( -0.431 0.713 9.156) 9.194 13.869 ( -2.861 -3.621 4.072) 6.155 14.065 ( 0.949 -1.228 -2.952) 3.335 14.150 ( 2.008 -2.579 -7.462) 8.146 19.733 ( 0.429 1.213 5.811) 5.952 19.812 ( -0.715 0.632 -0.824) 1.261 19.988 ( -1.068 0.127 6.871) 6.955 20.088 ( -2.758 -0.983 -1.497) 3.288 20.917 ( -2.500 -3.964 3.700) 5.971 20.959 ( 1.796 -3.868 -0.755) 4.331 21.084 ( -0.003 -2.317 6.649) 7.041 21.209 ( -0.392 -4.657 -4.547) 6.521 22.164 ( -2.205 4.891 7.226) 8.999 22.361 ( 3.897 4.691 -10.814) 12.415 22.659 ( -2.253 -7.581 4.815) 9.259 22.791 ( 1.993 -6.482 -7.131) 9.841 23.528 ( -0.873 0.558 1.825) 2.099 23.579 ( 1.111 -0.405 -2.880) 3.113 24.053 ( -0.121 6.758 1.426) 6.908 24.097 ( 1.306 5.425 -2.710) 6.203 ======================= Grid point 116 (64/72) ======================= q-point: ( 0.20 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -2.172 -11.649 7.076) 13.802 1.798 ( -0.526 -15.675 -3.060) 15.979 1.939 ( -2.656 1.776 9.708) 10.221 2.044 ( 2.468 0.038 -0.760) 2.582 2.137 ( 1.977 -4.511 2.301) 5.436 2.278 ( -3.651 -1.246 -3.950) 5.521 2.451 ( -0.888 -5.371 0.275) 5.451 2.588 ( -2.413 -3.505 -5.978) 7.338 2.659 ( -3.095 -0.717 3.405) 4.657 2.722 ( -6.400 3.839 1.331) 7.581 2.835 ( 0.201 2.631 -0.337) 2.660 2.892 ( 4.802 0.630 4.133) 6.366 2.952 ( -1.547 -3.883 1.327) 4.386 3.142 ( 3.280 -4.877 8.402) 10.253 3.315 ( -1.178 3.904 4.488) 6.064 3.484 ( -10.697 6.343 -5.969) 13.794 3.532 ( -0.812 5.751 -4.753) 7.505 3.761 ( 0.879 4.910 5.647) 7.534 3.814 ( -5.543 7.487 -7.170) 11.755 3.919 ( -1.444 5.758 8.700) 10.532 4.054 ( 3.404 5.155 -1.211) 6.295 4.140 ( 0.373 2.929 -0.156) 2.957 4.211 ( 0.823 -5.122 -2.981) 5.983 4.260 ( 2.414 0.970 -1.187) 2.860 4.454 ( -8.007 -0.594 -4.454) 9.181 4.528 ( -2.393 7.855 1.433) 8.336 4.716 ( 3.231 1.181 2.234) 4.102 4.807 ( 5.784 3.595 -4.988) 8.442 4.951 ( -2.197 5.630 4.866) 7.759 5.099 ( -0.498 7.377 2.043) 7.671 5.177 ( 1.619 1.902 -0.978) 2.682 5.274 ( 2.453 2.827 2.304) 4.396 5.352 ( -0.457 2.136 4.398) 4.911 5.583 ( 9.361 4.974 4.365) 11.465 5.722 ( -6.029 -6.386 4.092) 9.689 5.756 ( -3.198 1.519 -3.342) 4.868 6.016 ( 2.407 -3.123 -5.872) 7.073 6.113 ( -6.471 1.997 1.516) 6.940 6.161 ( 0.982 6.093 -7.337) 9.587 6.339 ( 2.979 2.390 0.072) 3.820 6.370 ( -3.099 -6.623 -6.328) 9.670 6.567 ( -2.688 2.906 0.730) 4.025 6.645 ( 8.536 -0.781 -4.168) 9.531 6.740 ( 5.909 1.462 1.407) 6.248 6.900 ( 1.711 0.694 2.186) 2.861 7.048 ( 1.638 0.064 -1.228) 2.048 7.170 ( -6.762 -6.623 -3.908) 10.240 7.349 ( 2.152 -4.519 5.942) 7.769 8.223 ( 0.758 -0.894 2.789) 3.025 8.387 ( -1.465 -0.111 2.617) 3.001 8.412 ( -1.387 2.606 -0.366) 2.975 8.470 ( 8.303 -0.159 2.435) 8.654 8.642 ( -2.083 -0.911 -0.862) 2.431 8.766 ( 5.827 -3.362 -7.089) 9.773 8.825 ( -2.200 -1.269 -1.032) 2.741 8.994 ( 2.112 -5.082 4.660) 7.211 9.065 ( 2.051 -4.772 2.078) 5.594 9.156 ( -0.938 -2.813 1.237) 3.213 9.261 ( -9.627 -6.058 6.881) 13.294 9.426 ( -7.173 0.769 -3.654) 8.087 9.679 ( 2.746 5.043 -7.056) 9.097 9.846 ( 8.194 2.455 -1.356) 8.661 9.878 ( -4.222 5.863 -3.005) 7.825 9.977 ( -2.071 6.106 -2.077) 6.774 10.273 ( -9.164 -4.371 -3.168) 10.636 10.448 ( 0.943 -4.956 -0.347) 5.057 10.564 ( -7.031 -11.693 -5.717) 14.794 10.736 ( 0.777 -3.039 4.821) 5.752 10.866 ( 1.243 -11.810 -2.430) 12.121 10.925 ( 7.616 -9.680 4.071) 12.972 11.148 ( 0.654 7.039 1.886) 7.316 11.494 ( 7.825 -2.687 2.497) 8.642 12.454 ( -8.304 9.747 1.663) 12.912 12.599 ( 1.304 8.459 -3.155) 9.122 12.622 ( -1.875 6.816 -3.086) 7.713 12.744 ( -1.310 3.337 -0.204) 3.591 13.875 ( 2.275 -0.632 5.406) 5.900 13.923 ( 4.536 -1.191 6.891) 8.335 14.059 ( 1.053 -0.334 -3.851) 4.006 14.151 ( 2.644 -2.983 -7.473) 8.470 19.756 ( -2.030 1.611 0.809) 2.715 19.777 ( -1.692 0.412 2.525) 3.068 19.948 ( -2.667 0.113 4.845) 5.532 20.133 ( 2.798 -2.269 3.436) 4.978 20.859 ( -3.605 -2.685 2.864) 5.330 21.013 ( 2.590 -1.852 0.617) 3.243 21.111 ( -1.603 -2.076 5.500) 6.093 21.148 ( -2.083 -6.035 -4.791) 7.982 22.164 ( -2.138 5.372 6.703) 8.852 22.366 ( 3.362 4.998 -10.968) 12.513 22.661 ( -0.917 -7.806 5.797) 9.766 22.800 ( 2.849 -7.250 -6.167) 9.936 23.489 ( -2.447 1.428 1.107) 3.042 23.585 ( 0.139 -1.815 -1.764) 2.535 24.068 ( 0.922 7.043 -0.096) 7.104 24.111 ( 1.576 5.166 -2.955) 6.156 ======================= Grid point 117 (65/72) ======================= q-point: (-0.60 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( 3.516 -2.294 10.357) 11.175 1.681 ( -2.635 -0.802 7.645) 8.126 2.058 ( 2.364 -2.763 -1.702) 4.015 2.107 ( -3.335 -1.430 1.097) 3.791 2.162 ( -1.481 -2.077 2.842) 3.819 2.187 ( 2.016 1.944 9.460) 9.865 2.432 ( -4.618 -0.967 -10.663) 11.660 2.546 ( -0.126 0.025 -2.198) 2.201 2.569 ( 2.600 -1.613 -3.462) 4.620 2.603 ( -3.585 4.697 7.317) 9.405 2.796 ( -2.360 -1.772 -6.900) 7.505 2.919 ( -0.284 7.279 0.801) 7.329 3.010 ( -2.226 -1.460 -1.491) 3.051 3.230 ( 1.340 4.353 13.411) 14.163 3.257 ( -5.718 7.477 -7.262) 11.888 3.377 ( -0.212 6.918 5.946) 9.125 3.463 ( 1.725 1.153 -2.301) 3.098 3.624 ( -4.719 3.835 -8.422) 10.388 3.861 ( 2.779 -0.592 8.308) 8.781 3.955 ( -0.033 5.338 6.426) 8.354 4.064 ( -2.571 -1.737 2.374) 3.907 4.127 ( -0.253 0.916 -3.531) 3.657 4.203 ( -0.547 -6.528 -2.447) 6.993 4.262 ( -4.089 10.414 1.375) 11.272 4.328 ( 1.672 -10.958 -4.265) 11.877 4.442 ( -2.265 5.216 -6.400) 8.561 4.724 ( -3.440 3.519 5.461) 7.351 4.861 ( 3.457 2.960 -7.465) 8.743 5.016 ( 1.294 0.395 5.679) 5.838 5.177 ( -1.230 -1.865 -2.960) 3.708 5.205 ( 8.466 2.955 3.144) 9.502 5.359 ( 0.021 0.706 1.234) 1.422 5.415 ( 3.809 7.930 14.083) 16.605 5.573 ( -4.389 -6.602 0.466) 7.941 5.656 ( -4.358 -7.375 -3.386) 9.211 5.805 ( 4.508 4.107 -1.208) 6.217 6.010 ( -2.185 -0.221 6.987) 7.324 6.060 ( 0.499 3.736 -6.987) 7.938 6.106 ( 1.178 -5.785 -0.151) 5.906 6.252 ( -0.431 -1.355 -7.262) 7.400 6.427 ( 3.349 4.717 -6.846) 8.963 6.473 ( -6.908 1.014 -1.488) 7.139 6.749 ( 3.818 3.808 -5.745) 7.879 6.800 ( 0.011 0.053 3.463) 3.463 6.935 ( -0.190 -0.653 -2.552) 2.641 7.006 ( -1.440 -2.400 -2.622) 3.835 7.218 ( 8.754 2.386 5.545) 10.634 7.396 ( -1.388 -1.971 4.084) 4.742 8.289 ( 3.361 2.131 1.327) 4.195 8.355 ( -3.275 3.233 2.076) 5.048 8.415 ( 1.861 0.512 1.481) 2.433 8.489 ( -4.544 0.218 1.049) 4.669 8.716 ( 5.905 4.699 -2.119) 7.839 8.786 ( -2.731 6.410 -2.880) 7.539 8.876 ( 4.356 -5.928 2.552) 7.786 8.977 ( -0.619 -3.806 1.779) 4.247 9.105 ( -0.032 -8.088 1.969) 8.324 9.169 ( -3.506 -6.793 5.706) 9.538 9.233 ( 4.374 -2.183 2.541) 5.510 9.271 ( -1.195 -3.006 -2.208) 3.916 9.652 ( -11.738 2.988 -5.171) 13.170 9.662 ( 1.644 1.700 -12.065) 12.295 9.922 ( -2.804 3.805 4.955) 6.848 10.046 ( 6.971 3.469 -6.453) 10.113 10.154 ( 1.049 -4.363 4.971) 6.697 10.398 ( -4.870 -9.827 -5.978) 12.491 10.475 ( 2.465 -5.942 -0.205) 6.436 10.675 ( -7.762 -2.863 -3.238) 8.885 10.885 ( 3.324 -8.109 3.984) 9.627 11.037 ( 1.657 -12.769 -2.006) 13.031 11.323 ( 8.933 0.871 5.660) 10.611 11.567 ( -1.790 -5.260 -0.697) 5.600 12.327 ( -3.818 12.834 5.784) 14.586 12.554 ( -1.450 8.490 -6.822) 10.987 12.626 ( 1.104 9.019 -0.482) 9.099 12.698 ( -1.212 4.819 -1.955) 5.340 13.929 ( -0.888 0.315 7.001) 7.065 14.030 ( 0.102 -1.360 6.272) 6.418 14.072 ( 2.399 -0.354 -5.314) 5.841 14.167 ( 3.775 -2.024 -7.638) 8.757 19.708 ( -2.527 2.142 2.458) 4.125 19.745 ( -2.120 1.838 0.970) 2.968 19.989 ( 1.512 -3.616 7.485) 8.449 20.169 ( -0.425 -6.780 -0.400) 6.805 20.839 ( -0.641 0.509 5.571) 5.631 21.050 ( -2.771 -0.484 -4.723) 5.497 21.077 ( 3.138 -1.494 -0.466) 3.506 21.104 ( -2.968 -3.901 4.756) 6.830 22.164 ( -2.020 5.867 6.641) 9.089 22.358 ( 2.746 6.343 -10.550) 12.612 22.687 ( -0.600 -8.254 5.818) 10.116 22.819 ( 2.557 -6.924 -5.821) 9.400 23.473 ( 0.229 0.372 1.696) 1.751 23.556 ( -1.381 -2.363 -2.122) 3.463 24.084 ( 0.933 6.456 -0.998) 6.599 24.114 ( 0.363 4.910 -2.691) 5.611 ======================= Grid point 118 (66/72) ======================= q-point: (-0.40 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -6.453 -0.081 6.702) 9.304 1.727 ( 4.652 -1.864 5.464) 7.414 1.921 ( -5.841 9.642 9.307) 14.619 2.035 ( -8.012 -3.014 -3.807) 9.369 2.197 ( 1.398 -2.362 4.102) 4.936 2.317 ( 5.992 -2.878 -0.978) 6.719 2.393 ( -1.111 -4.107 -3.282) 5.374 2.520 ( 10.431 2.841 -1.884) 10.974 2.553 ( -2.962 4.972 -1.235) 5.918 2.667 ( 1.664 -1.373 1.184) 2.461 2.766 ( 0.059 4.398 -3.772) 5.794 2.849 ( 9.142 11.974 -2.194) 15.224 3.053 ( -7.553 2.989 -1.006) 8.185 3.166 ( 6.432 0.054 2.183) 6.792 3.340 ( -1.963 4.646 5.633) 7.561 3.363 ( 1.258 7.564 9.905) 12.526 3.519 ( 2.486 5.879 -8.738) 10.821 3.593 ( 6.388 1.915 -7.866) 10.312 3.824 ( -10.536 3.181 13.564) 17.467 3.975 ( -6.557 0.287 6.003) 8.894 4.054 ( 1.497 -8.218 4.910) 9.690 4.115 ( -2.594 5.946 -5.690) 8.629 4.163 ( 1.236 -1.476 -0.161) 1.932 4.197 ( -2.693 -3.966 4.128) 6.327 4.312 ( 0.316 -6.426 -5.332) 8.357 4.450 ( 5.922 3.099 -4.302) 7.949 4.707 ( -1.859 3.262 5.374) 6.556 4.882 ( 3.565 2.680 -7.249) 8.512 4.996 ( -5.923 0.847 5.667) 8.241 5.165 ( 1.378 -1.520 -1.846) 2.760 5.313 ( -1.126 -0.849 -4.215) 4.445 5.365 ( 2.206 4.236 0.017) 4.776 5.525 ( -1.504 -4.807 7.660) 9.167 5.584 ( 0.056 -6.456 2.727) 7.009 5.619 ( 4.645 -0.243 5.544) 7.237 5.745 ( -3.159 3.574 -9.152) 10.321 6.055 ( 0.337 -2.496 5.031) 5.627 6.079 ( -2.422 -2.301 -4.090) 5.281 6.103 ( 4.200 0.690 0.112) 4.258 6.239 ( 1.173 -0.858 -8.306) 8.432 6.322 ( -3.854 2.002 1.879) 4.732 6.415 ( 0.878 -1.722 1.816) 2.652 6.718 ( -6.752 6.770 -2.325) 9.840 6.853 ( 6.417 6.107 1.013) 8.917 6.948 ( -1.182 -3.474 -4.160) 5.547 6.981 ( 3.856 -0.520 -2.761) 4.772 7.305 ( -7.336 3.110 -1.576) 8.122 7.408 ( 4.126 0.131 2.606) 4.882 8.263 ( -4.237 1.915 2.699) 5.376 8.401 ( 2.964 4.611 -0.684) 5.524 8.420 ( -0.460 -2.562 0.126) 2.606 8.488 ( 3.185 0.470 2.826) 4.284 8.645 ( -8.497 3.658 1.944) 9.453 8.779 ( -0.654 3.108 -1.139) 3.374 8.857 ( -1.240 0.029 0.064) 1.242 9.065 ( 2.110 -1.138 2.410) 3.400 9.089 ( 1.637 -6.904 -1.124) 7.183 9.236 ( 1.372 -5.070 5.196) 7.388 9.298 ( 6.357 -5.569 -5.275) 9.962 9.314 ( -3.299 -4.068 -9.424) 10.781 9.439 ( -0.219 4.143 7.494) 8.566 9.675 ( 7.520 1.644 -7.159) 10.512 9.921 ( -0.528 2.606 4.092) 4.880 10.074 ( 2.649 1.890 -6.848) 7.581 10.230 ( -2.539 -7.514 1.449) 8.063 10.338 ( 4.151 -3.801 -4.096) 6.961 10.493 ( -5.528 -2.613 -2.165) 6.487 10.582 ( 6.093 -8.564 4.699) 11.513 10.971 ( 0.347 -10.688 2.143) 10.906 10.988 ( -2.022 -10.381 -3.518) 11.145 11.423 ( -7.696 -1.777 -2.166) 8.190 11.521 ( 3.962 -4.124 2.231) 6.139 12.370 ( 2.077 11.069 8.835) 14.314 12.486 ( 0.723 12.039 -7.411) 14.155 12.611 ( -2.434 6.545 1.375) 7.117 12.704 ( 2.983 7.390 -3.063) 8.538 13.943 ( -2.400 -0.750 7.001) 7.439 13.998 ( -6.704 -1.210 6.101) 9.145 14.071 ( 1.350 -0.308 -5.598) 5.767 14.184 ( 1.858 -1.825 -6.934) 7.407 19.685 ( -1.911 2.166 4.380) 5.247 19.736 ( 0.820 2.182 1.687) 2.877 20.030 ( -3.372 -3.706 6.096) 7.891 20.167 ( 2.582 -10.167 -2.643) 10.818 20.880 ( -0.764 -0.053 6.889) 6.931 20.974 ( -0.245 0.594 -4.457) 4.503 21.060 ( -3.159 -2.741 3.274) 5.311 21.154 ( 3.548 -0.383 0.194) 3.574 22.165 ( -2.223 5.692 6.950) 9.254 22.349 ( 2.945 7.037 -10.176) 12.718 22.701 ( -1.599 -8.451 4.910) 9.903 22.824 ( 1.703 -6.015 -6.534) 9.043 23.503 ( -0.041 -1.207 0.523) 1.316 23.526 ( 1.407 -1.142 -0.861) 2.007 24.083 ( -0.796 5.381 -0.669) 5.480 24.103 ( 0.401 5.335 -1.987) 5.707 ======================= Grid point 119 (67/72) ======================= q-point: (-0.20 0.29 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -6.736 -1.982 5.196) 8.735 1.795 ( -3.404 -12.209 -1.216) 12.732 1.874 ( -0.773 2.015 9.094) 9.347 2.012 ( 1.793 1.152 5.381) 5.788 2.141 ( -3.026 -4.343 -2.829) 6.001 2.357 ( 2.296 -3.337 -7.874) 8.855 2.445 ( 3.970 -3.309 2.831) 5.893 2.556 ( 6.176 -2.042 -4.403) 7.855 2.672 ( -3.524 -2.477 0.380) 4.324 2.726 ( 1.981 0.835 3.770) 4.340 2.804 ( 4.557 4.676 -0.786) 6.577 2.951 ( 0.791 2.437 -2.823) 3.813 3.091 ( 6.183 5.822 -0.880) 8.538 3.223 ( -4.748 2.288 1.510) 5.483 3.336 ( 3.161 5.102 3.666) 7.033 3.422 ( 2.317 3.358 -2.073) 4.576 3.528 ( 1.806 4.794 -7.111) 8.764 3.674 ( 4.047 2.445 4.318) 6.403 3.747 ( -4.785 8.162 16.871) 19.343 3.931 ( -0.598 5.256 3.978) 6.619 4.017 ( -0.827 12.466 -7.217) 14.428 4.075 ( -1.871 -6.990 7.613) 10.503 4.132 ( -2.113 1.999 2.682) 3.956 4.189 ( -0.478 -5.001 1.332) 5.197 4.378 ( 5.205 -5.519 0.915) 7.641 4.572 ( 5.668 2.317 1.032) 6.210 4.697 ( -2.011 2.042 2.516) 3.813 4.832 ( -4.735 1.277 -4.639) 6.750 4.966 ( 1.097 8.250 -0.227) 8.325 5.164 ( 0.353 2.788 -4.147) 5.009 5.273 ( -1.668 -2.027 -2.784) 3.826 5.292 ( -3.060 3.109 -2.529) 5.043 5.458 ( -6.879 0.943 -1.448) 7.093 5.664 ( -7.221 3.870 -0.915) 8.243 5.679 ( 3.592 -3.234 6.439) 8.051 5.743 ( 10.095 -2.969 -1.184) 10.589 5.964 ( -4.356 -0.109 -3.370) 5.509 6.082 ( 0.654 1.363 1.694) 2.270 6.178 ( 1.221 -2.947 -2.661) 4.155 6.239 ( 7.169 -2.573 1.340) 7.734 6.351 ( 0.364 2.642 0.201) 2.674 6.499 ( 1.709 -4.498 8.323) 9.613 6.589 ( -1.713 7.691 -3.049) 8.449 6.818 ( -5.946 0.122 -5.609) 8.175 6.970 ( 1.129 -1.010 -2.255) 2.717 7.063 ( 4.767 2.736 -0.037) 5.497 7.125 ( -5.129 -0.449 -2.885) 5.902 7.424 ( -2.413 -2.583 -0.768) 3.617 8.220 ( -1.282 -0.351 2.799) 3.098 8.361 ( -4.378 -2.412 2.623) 5.645 8.457 ( 1.333 -0.009 -2.067) 2.460 8.483 ( -6.452 2.428 1.512) 7.057 8.609 ( 5.548 2.007 0.739) 5.946 8.737 ( -0.519 -2.124 -2.924) 3.651 8.836 ( -1.513 -0.466 -1.730) 2.345 9.066 ( 0.201 -2.342 -1.304) 2.688 9.092 ( -4.383 -4.736 -1.481) 6.621 9.205 ( -1.563 -2.975 -0.766) 3.447 9.269 ( 2.961 0.163 4.012) 4.989 9.434 ( 7.357 -6.937 -4.781) 11.185 9.538 ( 3.873 3.924 3.317) 6.434 9.824 ( 2.954 7.722 1.191) 8.353 9.916 ( 1.442 0.839 -7.136) 7.328 10.078 ( 1.135 5.473 -6.943) 8.914 10.234 ( 6.024 -3.792 0.900) 7.174 10.420 ( 4.115 -5.790 4.306) 8.307 10.456 ( 1.817 -8.241 -0.235) 8.443 10.732 ( 2.854 -9.477 6.036) 11.593 10.855 ( -5.324 -10.347 -3.118) 12.046 10.990 ( -1.873 -9.644 -1.149) 9.891 11.219 ( -6.371 4.296 -4.487) 8.898 11.523 ( -5.601 -3.971 -0.018) 6.866 12.482 ( 5.307 9.381 2.009) 10.964 12.528 ( 3.375 7.597 2.322) 8.631 12.577 ( -0.315 9.925 -0.482) 9.942 12.761 ( 3.680 5.823 -2.151) 7.216 13.842 ( -9.141 0.079 5.812) 10.832 13.928 ( -5.098 -3.812 8.031) 10.248 14.064 ( 1.278 -0.783 -4.746) 4.977 14.164 ( 1.282 -1.858 -7.282) 7.624 19.693 ( -0.293 2.214 5.179) 5.640 19.787 ( 1.961 1.278 2.777) 3.631 19.980 ( -2.558 -1.160 2.516) 3.770 20.176 ( -2.038 -7.785 -1.232) 8.141 20.890 ( 0.514 -1.363 2.075) 2.536 20.976 ( -1.146 -3.901 1.641) 4.385 21.041 ( -0.069 -0.290 4.199) 4.210 21.212 ( 2.146 -2.429 -1.961) 3.789 22.164 ( -2.314 5.115 7.243) 9.164 22.350 ( 3.584 6.158 -10.231) 12.468 22.684 ( -2.655 -8.131 4.252) 9.552 22.807 ( 1.257 -5.891 -7.390) 9.534 23.505 ( 1.183 0.285 -0.151) 1.227 23.570 ( 1.666 -1.199 -0.537) 2.122 24.060 ( -1.120 5.671 0.661) 5.819 24.097 ( 0.244 5.559 -1.805) 5.849 ======================= Grid point 120 (68/72) ======================= q-point: ( 0.00 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -4.162 -2.696 0.991) 5.057 1.413 ( -0.740 -11.140 -6.996) 13.175 1.963 ( 2.488 1.951 4.047) 5.136 2.034 ( 1.221 -4.254 -2.565) 5.115 2.115 ( -3.337 6.151 9.323) 11.657 2.256 ( -0.244 -6.223 -0.427) 6.242 2.462 ( -2.181 1.056 -3.272) 4.072 2.526 ( -1.485 -4.431 -5.977) 7.587 2.642 ( 3.235 1.686 3.992) 5.408 2.715 ( -3.134 -5.510 -0.935) 6.407 2.839 ( -1.477 5.357 3.453) 6.542 2.935 ( -0.679 -4.090 1.599) 4.444 3.038 ( -0.999 5.312 -3.731) 6.568 3.112 ( -5.764 -1.446 -5.616) 8.177 3.430 ( -4.443 3.034 1.847) 5.688 3.490 ( 0.500 -2.647 -4.505) 5.249 3.722 ( 2.316 6.311 8.690) 10.987 3.836 ( 3.104 -2.747 5.211) 6.659 3.921 ( 2.335 2.427 4.588) 5.692 3.989 ( -2.302 5.852 2.027) 6.607 4.015 ( 3.003 -1.417 6.971) 7.721 4.109 ( 0.037 -5.156 2.092) 5.564 4.235 ( -1.280 5.759 -3.127) 6.677 4.268 ( 0.040 2.068 -6.798) 7.105 4.559 ( 8.464 6.593 6.716) 12.657 4.666 ( 4.608 -3.126 2.313) 6.029 4.734 ( -3.046 1.926 -0.395) 3.625 4.735 ( -3.850 1.770 -2.962) 5.169 5.101 ( -0.296 5.855 2.749) 6.475 5.178 ( 0.486 -1.252 -2.549) 2.881 5.263 ( -1.242 3.834 2.935) 4.985 5.311 ( -1.451 0.165 2.987) 3.325 5.474 ( 0.390 5.548 -3.637) 6.646 5.525 ( -1.583 0.861 -4.302) 4.664 5.686 ( -2.418 -0.386 4.043) 4.726 5.763 ( 2.610 -6.906 -2.241) 7.715 6.105 ( -3.949 3.436 3.474) 6.282 6.130 ( 7.861 4.927 2.193) 9.533 6.228 ( 4.597 -0.835 7.336) 8.698 6.294 ( 0.950 -1.719 1.323) 2.368 6.355 ( 2.709 -0.653 -1.417) 3.126 6.414 ( -1.414 -6.591 -5.921) 8.972 6.683 ( -0.186 4.305 -4.407) 6.164 6.719 ( -3.071 1.137 -6.259) 7.064 6.932 ( 1.049 1.166 1.310) 2.043 6.979 ( -2.086 -1.603 -1.205) 2.893 7.184 ( 1.829 0.403 -0.708) 2.002 7.247 ( -4.010 -4.882 -4.594) 7.812 8.199 ( -1.517 -0.956 2.651) 3.201 8.218 ( 1.150 -2.967 0.882) 3.302 8.475 ( -0.412 2.718 0.059) 2.750 8.482 ( -1.137 3.082 -0.092) 3.286 8.647 ( 1.959 -3.597 -2.601) 4.852 8.659 ( -0.506 -3.992 -2.570) 4.775 8.775 ( -1.596 1.131 0.308) 1.980 8.842 ( -3.032 -4.851 -4.704) 7.406 9.082 ( -0.218 0.906 1.622) 1.870 9.112 ( -0.518 -1.933 -0.588) 2.086 9.398 ( -1.392 3.491 4.967) 6.228 9.473 ( 3.224 -3.556 -0.325) 4.811 9.740 ( 2.535 5.339 2.913) 6.589 9.792 ( -2.836 0.964 -2.674) 4.015 10.103 ( 1.341 6.468 -4.045) 7.745 10.133 ( -0.120 3.871 -7.194) 8.170 10.316 ( 1.986 -3.568 1.219) 4.261 10.339 ( 1.817 -5.140 1.607) 5.684 10.435 ( 2.768 -5.215 2.249) 6.318 10.482 ( 0.873 -9.321 -0.466) 9.373 10.758 ( -0.576 0.076 0.521) 0.780 10.780 ( -2.401 -2.021 -1.355) 3.418 11.298 ( 1.856 1.884 1.161) 2.888 11.325 ( -3.305 -0.862 -1.168) 3.609 12.659 ( 0.189 4.260 1.616) 4.560 12.687 ( 2.031 1.691 -0.103) 2.644 12.770 ( 0.690 4.166 -0.253) 4.231 12.804 ( -2.263 0.463 -2.626) 3.498 13.788 ( -0.645 0.805 7.697) 7.766 13.814 ( -1.773 -2.048 6.624) 7.157 14.059 ( 1.381 0.879 -5.138) 5.392 14.097 ( 1.631 -2.738 -7.251) 7.920 19.771 ( -0.736 2.442 5.370) 5.945 19.811 ( -0.923 -1.191 2.511) 2.928 19.998 ( -0.548 1.540 3.133) 3.534 20.047 ( 0.212 -2.922 -0.286) 2.944 20.871 ( -2.311 -0.616 3.722) 4.424 20.891 ( 0.551 -2.588 2.175) 3.425 21.077 ( -0.532 1.406 1.676) 2.251 21.128 ( -0.867 -3.630 -2.512) 4.499 22.268 ( -1.934 5.739 6.487) 8.875 22.371 ( 0.131 -3.976 -0.226) 3.984 22.604 ( 0.645 2.156 -3.954) 4.549 22.682 ( 1.955 -4.993 -8.229) 9.822 23.540 ( -0.178 0.828 0.694) 1.095 23.561 ( 0.435 -1.214 -1.167) 1.739 24.150 ( 0.661 3.064 -0.028) 3.135 24.166 ( 0.932 1.463 -1.481) 2.281 ======================= Grid point 121 (69/72) ======================= q-point: ( 0.20 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 5.273 1.876 6.262) 8.399 1.510 ( 7.733 -12.802 2.517) 15.166 1.982 ( -1.254 2.055 2.824) 3.711 2.020 ( 1.325 -2.147 -0.766) 2.636 2.163 ( 2.137 6.267 5.556) 8.644 2.270 ( -1.105 -1.564 -4.486) 4.878 2.348 ( -4.579 -2.474 5.427) 7.519 2.435 ( -4.271 -8.915 -0.405) 9.894 2.695 ( 3.708 4.723 -2.487) 6.499 2.787 ( 1.549 -2.340 2.755) 3.932 2.868 ( -1.141 2.024 1.486) 2.758 2.904 ( -7.158 -1.176 -2.005) 7.526 2.947 ( 1.767 4.356 2.827) 5.486 3.038 ( 2.266 -5.097 12.167) 13.384 3.388 ( -2.131 4.299 4.107) 6.316 3.475 ( -2.189 -3.812 -1.044) 4.518 3.690 ( -4.022 7.417 -2.717) 8.864 3.786 ( -4.241 -1.694 -0.822) 4.641 3.929 ( -2.737 4.119 -2.906) 5.736 4.019 ( -0.374 0.506 2.339) 2.422 4.093 ( -5.397 -1.283 0.841) 5.611 4.132 ( 1.668 1.067 5.116) 5.486 4.182 ( -0.923 1.712 -3.462) 3.971 4.223 ( 1.261 -3.228 -4.952) 6.044 4.557 ( -4.162 7.490 -5.186) 10.016 4.635 ( -1.998 0.558 -2.210) 3.031 4.778 ( 4.505 5.129 3.282) 7.575 4.842 ( 4.976 -0.687 -1.104) 5.143 5.066 ( -2.975 6.675 1.190) 7.404 5.176 ( -0.438 -3.005 -2.759) 4.103 5.230 ( -2.661 5.853 4.290) 7.730 5.315 ( 0.982 0.362 2.222) 2.456 5.369 ( -2.961 2.036 1.886) 4.058 5.521 ( -3.311 -10.045 -1.855) 10.738 5.739 ( 5.253 6.495 2.340) 8.674 5.802 ( 0.815 0.528 -1.870) 2.107 5.989 ( -3.662 3.457 -1.463) 5.244 6.128 ( -9.601 -4.295 -0.076) 10.518 6.199 ( -5.062 -1.548 -5.243) 7.450 6.223 ( 0.476 -3.820 -3.121) 4.955 6.435 ( 8.017 6.535 -2.388) 10.616 6.542 ( 5.084 -4.084 -3.634) 7.465 6.708 ( 5.561 5.001 -0.893) 7.532 6.771 ( 5.993 -0.226 0.665) 6.034 6.917 ( -1.103 2.877 -0.168) 3.086 7.024 ( -0.613 -6.418 -0.848) 6.503 7.110 ( -1.108 4.549 1.666) 4.969 7.235 ( 1.575 -7.060 5.339) 8.990 8.242 ( 4.231 3.113 1.028) 5.352 8.329 ( 4.596 -5.088 -1.381) 6.995 8.471 ( 0.322 3.754 2.477) 4.509 8.516 ( 6.258 2.183 4.363) 7.934 8.648 ( -3.750 1.062 1.158) 4.066 8.687 ( 4.237 -1.095 -3.804) 5.798 8.776 ( 3.612 -3.726 -2.186) 5.631 8.835 ( 2.600 -9.097 5.263) 10.827 9.056 ( -1.727 2.188 0.916) 2.934 9.105 ( -1.686 -2.407 0.466) 2.976 9.266 ( -10.273 5.565 2.695) 11.990 9.388 ( -8.071 -5.122 -3.298) 10.112 9.774 ( 0.923 5.556 -1.324) 5.785 9.862 ( 4.664 -1.795 4.292) 6.587 9.995 ( -7.007 5.388 -4.149) 9.764 10.058 ( -4.808 0.075 -4.779) 6.779 10.221 ( -6.423 0.813 -3.366) 7.297 10.317 ( -2.688 -8.181 -2.786) 9.051 10.438 ( 1.199 2.640 -2.663) 3.936 10.605 ( 4.933 -12.884 -3.172) 14.156 10.746 ( 0.810 2.123 1.999) 3.027 10.805 ( 2.099 -4.184 1.939) 5.067 11.283 ( 1.719 6.904 1.143) 7.206 11.408 ( 4.283 -5.805 1.453) 7.359 12.613 ( -5.692 6.113 1.902) 8.566 12.672 ( -2.252 0.268 -1.339) 2.634 12.750 ( 1.012 4.361 -2.027) 4.914 12.784 ( -0.392 0.513 0.260) 0.697 13.877 ( 3.260 0.845 5.520) 6.466 13.900 ( 4.351 -1.301 6.523) 7.948 14.060 ( 2.126 0.811 -5.477) 5.930 14.095 ( 2.883 -2.627 -7.395) 8.361 19.777 ( -1.730 0.736 4.145) 4.552 19.785 ( -2.679 0.127 2.527) 3.685 19.980 ( -1.656 3.213 1.238) 3.821 20.061 ( 0.278 -4.628 0.177) 4.640 20.855 ( -1.178 2.216 3.976) 4.702 20.934 ( 1.403 -5.376 2.599) 6.134 21.074 ( -1.115 0.087 2.140) 2.414 21.095 ( -0.894 -1.674 -0.752) 2.041 22.277 ( -1.358 6.180 6.484) 9.060 22.386 ( 1.277 -3.938 -0.340) 4.154 22.596 ( 0.724 2.065 -2.657) 3.442 22.679 ( 2.634 -5.469 -7.196) 9.414 23.516 ( -1.854 1.461 0.254) 2.374 23.548 ( -1.003 -1.840 -0.849) 2.261 24.165 ( 1.061 2.910 -1.476) 3.431 24.178 ( 1.201 1.524 -2.262) 2.980 ======================= Grid point 122 (70/72) ======================= q-point: (-0.60 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( 5.266 3.091 10.804) 12.410 1.634 ( 0.850 -4.265 7.971) 9.080 2.080 ( 8.704 3.123 -1.288) 9.336 2.088 ( -1.972 0.998 6.209) 6.590 2.168 ( -2.357 1.655 1.271) 3.148 2.214 ( 1.796 0.938 4.630) 5.054 2.362 ( -0.183 -4.518 -2.536) 5.184 2.382 ( 0.035 -8.805 0.192) 8.807 2.628 ( -2.690 6.522 -4.546) 8.393 2.733 ( -1.770 -3.054 -2.168) 4.142 2.808 ( 1.320 6.973 3.518) 7.921 2.942 ( -3.306 -6.022 1.455) 7.022 3.105 ( 7.754 11.527 7.453) 15.765 3.245 ( 5.848 -1.404 13.886) 15.132 3.397 ( 3.094 -0.382 4.683) 5.626 3.414 ( 1.040 0.921 -4.038) 4.271 3.572 ( -4.929 8.715 -6.334) 11.848 3.687 ( -4.978 3.241 -10.258) 11.854 3.766 ( -7.789 -4.734 1.723) 9.276 3.919 ( -7.324 -12.255 -10.010) 17.436 4.041 ( -2.694 1.199 7.484) 8.044 4.052 ( -4.730 -0.885 9.113) 10.306 4.196 ( 0.470 2.130 -3.379) 4.022 4.231 ( 2.135 -0.893 -7.188) 7.552 4.490 ( -2.344 9.827 2.121) 10.323 4.567 ( -2.552 2.872 -2.867) 4.794 4.793 ( -2.001 4.659 -0.220) 5.075 4.861 ( -1.093 -2.150 -3.494) 4.246 5.044 ( -0.382 2.559 1.982) 3.260 5.129 ( -1.402 -4.112 -3.572) 5.625 5.263 ( 3.906 3.269 2.299) 5.588 5.347 ( -2.795 -4.503 4.393) 6.884 5.391 ( 3.207 -1.001 1.114) 3.540 5.454 ( -0.514 -6.429 -1.453) 6.611 5.717 ( -2.913 10.232 3.100) 11.081 5.853 ( 1.254 -0.889 -2.641) 3.056 5.977 ( -2.259 -2.430 3.588) 4.887 6.000 ( 1.366 -3.821 0.454) 4.083 6.145 ( 1.250 4.297 -3.065) 5.424 6.214 ( 1.523 -2.759 -4.206) 5.255 6.472 ( -3.296 1.641 -7.067) 7.968 6.496 ( -5.143 -0.258 -6.069) 7.960 6.807 ( 2.049 3.119 1.741) 4.118 6.862 ( 6.572 1.792 -3.272) 7.557 6.891 ( -2.016 0.316 1.341) 2.442 6.970 ( 1.619 -3.059 -1.381) 3.726 7.269 ( 6.874 3.057 6.156) 9.721 7.336 ( 2.768 -3.699 5.708) 7.343 8.335 ( 3.458 2.670 1.056) 4.495 8.379 ( 2.581 -1.137 -1.018) 2.998 8.470 ( -2.394 4.471 2.846) 5.816 8.516 ( -6.670 0.837 1.932) 6.995 8.773 ( 8.682 1.989 -0.910) 8.954 8.813 ( 10.049 0.308 0.242) 10.057 8.842 ( 2.521 -2.645 -1.800) 4.073 8.937 ( -2.791 -7.456 5.400) 9.620 8.981 ( -3.613 3.454 2.525) 5.600 9.046 ( -0.572 -2.193 2.815) 3.614 9.190 ( 1.159 -1.957 1.466) 2.706 9.215 ( -3.291 -3.667 -4.725) 6.826 9.735 ( -8.553 5.678 -0.323) 10.271 9.763 ( -3.355 7.703 -6.521) 10.635 9.884 ( -6.801 -5.595 2.446) 9.140 9.981 ( 1.695 -10.066 -5.228) 11.469 10.159 ( 0.804 4.593 3.629) 5.908 10.259 ( 0.513 -5.003 -0.035) 5.030 10.439 ( 0.817 4.179 -5.604) 7.038 10.584 ( -2.455 -8.025 -8.490) 11.937 10.800 ( 2.133 -0.261 2.765) 3.501 10.853 ( 0.896 -5.743 0.506) 5.834 11.371 ( 4.134 3.857 2.352) 6.123 11.462 ( 0.308 -5.356 -0.105) 5.366 12.532 ( -3.257 8.015 5.350) 10.172 12.622 ( -2.153 -1.086 1.384) 2.780 12.757 ( 0.530 4.163 -3.745) 5.625 12.775 ( 1.351 2.196 -3.639) 4.460 13.952 ( -0.363 1.901 5.945) 6.252 13.994 ( -0.210 -2.246 6.010) 6.419 14.080 ( 3.111 1.402 -6.103) 6.992 14.121 ( 3.922 -2.554 -7.149) 8.545 19.745 ( -2.544 1.550 3.582) 4.658 19.763 ( -1.752 -0.153 2.895) 3.388 19.970 ( -0.170 1.793 1.946) 2.651 20.045 ( -1.276 -5.587 -0.881) 5.798 20.872 ( -0.432 2.998 5.212) 6.028 20.956 ( -1.070 -5.591 1.790) 5.967 21.075 ( 0.337 0.590 0.882) 1.113 21.086 ( 0.366 -0.503 0.589) 0.857 22.290 ( -1.709 6.943 6.746) 9.830 22.407 ( 0.812 -3.405 -0.670) 3.564 22.602 ( 1.235 1.715 -2.039) 2.937 22.694 ( 3.108 -6.108 -7.190) 9.933 23.489 ( -0.657 1.158 0.457) 1.408 23.517 ( -1.124 -1.752 -0.888) 2.263 24.171 ( 0.568 2.450 -1.985) 3.204 24.179 ( 0.277 1.608 -2.326) 2.841 ======================= Grid point 123 (71/72) ======================= q-point: (-0.40 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( -5.247 -0.555 5.827) 7.861 1.663 ( -0.544 -2.787 5.567) 6.250 2.021 ( -3.987 3.812 2.881) 6.223 2.111 ( -6.667 -3.980 6.161) 9.912 2.168 ( -2.332 8.575 -4.165) 9.814 2.296 ( 3.230 -2.696 -0.261) 4.216 2.332 ( 3.703 1.855 -3.600) 5.488 2.454 ( 6.120 -7.555 -2.942) 10.158 2.626 ( -2.241 4.246 -1.875) 5.155 2.699 ( 0.361 -1.353 -1.489) 2.044 2.848 ( 2.642 5.844 0.489) 6.432 2.959 ( 9.031 -3.218 0.576) 9.605 3.253 ( -4.123 12.001 -3.227) 13.093 3.307 ( 0.148 18.973 1.301) 19.019 3.398 ( -3.135 -0.014 3.549) 4.735 3.481 ( 1.482 4.550 2.618) 5.455 3.558 ( 2.790 -2.043 -4.176) 5.422 3.589 ( 2.448 -1.185 -6.176) 6.748 3.723 ( 0.963 -16.961 2.545) 17.178 3.731 ( 1.077 -13.344 4.258) 14.048 4.012 ( -3.396 5.394 12.089) 13.667 4.103 ( 0.513 0.710 5.453) 5.523 4.168 ( 0.385 0.800 -2.130) 2.307 4.223 ( 2.073 -2.647 -5.907) 6.797 4.429 ( -5.623 11.460 4.260) 13.457 4.530 ( -0.244 1.392 1.710) 2.218 4.759 ( -1.947 2.099 2.631) 3.889 4.814 ( -0.705 -4.764 -0.887) 4.897 5.062 ( 1.686 2.562 0.384) 3.091 5.127 ( 3.738 -3.361 -2.688) 5.701 5.316 ( 0.057 2.803 -2.144) 3.530 5.383 ( 4.434 -2.121 0.220) 4.920 5.410 ( -3.426 -2.283 0.354) 4.132 5.448 ( 2.348 -5.978 0.290) 6.429 5.736 ( -0.350 6.466 6.355) 9.072 5.789 ( -4.004 0.427 -2.516) 4.748 6.007 ( 0.281 -0.510 0.853) 1.032 6.041 ( 1.789 -2.504 1.554) 3.448 6.138 ( -0.186 2.677 -3.278) 4.236 6.200 ( -1.123 -3.235 -6.815) 7.627 6.350 ( -2.900 1.086 4.223) 5.237 6.375 ( -2.228 -1.774 4.386) 5.229 6.834 ( -1.589 4.637 -1.215) 5.050 6.895 ( 0.543 -2.299 -2.771) 3.642 6.951 ( 3.745 3.434 -2.364) 5.605 6.983 ( 2.686 -0.174 -6.376) 6.921 7.351 ( -3.066 2.010 -0.846) 3.763 7.388 ( 1.309 -1.766 0.784) 2.334 8.317 ( -5.153 3.362 2.481) 6.634 8.375 ( -3.780 -2.437 0.325) 4.509 8.486 ( 3.079 3.364 0.863) 4.641 8.510 ( 3.862 0.828 2.896) 4.898 8.698 ( -9.495 2.285 2.969) 10.207 8.761 ( -6.811 -3.441 -0.557) 7.651 8.922 ( 1.066 4.599 -2.547) 5.364 9.003 ( 4.326 -2.383 -1.729) 5.233 9.061 ( 4.422 2.085 1.496) 5.113 9.141 ( 5.108 -4.870 4.905) 8.595 9.180 ( 4.060 -4.234 -7.453) 9.485 9.205 ( -0.171 -5.408 -9.555) 10.980 9.597 ( -1.858 10.867 7.245) 13.192 9.769 ( 6.113 5.535 -1.520) 8.385 9.830 ( -0.730 -8.108 5.880) 10.042 9.971 ( 2.631 -10.690 -4.368) 11.844 10.217 ( 0.568 6.106 4.416) 7.557 10.331 ( 3.595 -0.874 -5.481) 6.613 10.417 ( 0.359 -3.973 1.526) 4.271 10.458 ( -2.230 -3.501 -7.555) 8.620 10.837 ( -1.722 -3.015 -0.316) 3.487 10.847 ( 0.351 -4.025 1.198) 4.214 11.414 ( -3.101 0.803 -1.108) 3.389 11.451 ( 0.907 -2.919 0.104) 3.058 12.545 ( 0.144 6.544 7.008) 9.589 12.606 ( -0.427 0.685 1.995) 2.153 12.739 ( 0.853 5.782 -4.111) 7.146 12.789 ( 2.488 0.966 -4.792) 5.485 13.942 ( -4.335 0.756 6.334) 7.713 13.968 ( -5.878 -1.738 6.121) 8.662 14.087 ( 1.343 1.979 -5.917) 6.382 14.137 ( 1.591 -2.864 -6.501) 7.280 19.731 ( -1.407 2.383 4.743) 5.491 19.759 ( -0.199 -0.135 3.047) 3.057 19.984 ( -0.770 -0.635 2.545) 2.733 20.022 ( 0.405 -4.756 -0.446) 4.794 20.888 ( -1.724 1.160 5.399) 5.785 20.930 ( -1.859 -3.141 1.588) 3.981 21.075 ( -0.055 2.565 0.137) 2.569 21.125 ( 2.377 -2.341 -1.122) 3.519 22.289 ( -2.626 6.947 6.787) 10.061 22.406 ( -0.536 -3.204 -0.626) 3.308 22.614 ( 1.443 1.691 -3.192) 3.889 22.706 ( 2.765 -6.019 -8.237) 10.570 23.495 ( 0.460 0.211 0.387) 0.637 23.506 ( 1.104 -0.880 -0.330) 1.450 24.160 ( -0.560 2.388 -1.053) 2.669 24.169 ( 0.131 1.470 -1.497) 2.103 ======================= Grid point 124 (72/72) ======================= q-point: (-0.20 0.43 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -9.579 1.430 -1.945) 9.879 1.580 ( -7.707 -8.125 -2.892) 11.566 1.929 ( -2.452 3.959 1.775) 4.984 2.027 ( -2.604 -5.818 -0.672) 6.410 2.132 ( -2.450 7.828 6.298) 10.341 2.282 ( -0.324 -6.410 -2.057) 6.739 2.427 ( 4.363 2.510 -1.788) 5.342 2.496 ( 4.469 -3.854 -4.369) 7.342 2.682 ( -0.324 3.175 -2.063) 3.800 2.733 ( 1.926 -0.881 3.198) 3.836 2.866 ( 2.251 3.254 -1.098) 4.106 2.969 ( -6.292 -6.064 -5.910) 10.549 3.119 ( -2.409 7.798 -8.183) 11.557 3.271 ( -6.711 -4.914 -6.276) 10.420 3.472 ( 10.634 9.739 5.757) 15.526 3.489 ( 0.585 3.824 -1.775) 4.256 3.557 ( -0.846 -0.348 -3.958) 4.062 3.649 ( 6.395 -4.187 8.014) 11.075 3.834 ( 1.825 -2.231 10.472) 10.862 3.906 ( 4.953 -6.399 6.696) 10.503 4.033 ( -2.146 5.380 9.192) 10.865 4.106 ( -2.337 1.332 2.423) 3.620 4.222 ( 5.818 4.569 -1.234) 7.500 4.270 ( 3.039 0.675 -5.981) 6.743 4.380 ( 0.453 11.398 8.456) 14.200 4.562 ( 0.987 -4.814 4.976) 6.994 4.747 ( -0.577 3.118 3.538) 4.751 4.819 ( -0.674 -2.934 1.070) 3.195 5.103 ( 1.239 5.462 -2.883) 6.299 5.193 ( 2.184 -3.617 -2.904) 5.127 5.279 ( -3.490 4.528 0.036) 5.718 5.335 ( -1.830 1.606 -0.651) 2.520 5.407 ( 1.499 -1.299 1.021) 2.231 5.556 ( 6.495 -10.161 -4.427) 12.847 5.730 ( -4.096 2.889 3.174) 5.933 5.740 ( -0.132 1.793 3.220) 3.688 6.005 ( 2.094 5.055 -0.923) 5.549 6.096 ( 1.843 -0.210 2.476) 3.094 6.124 ( -1.124 -1.843 2.952) 3.657 6.150 ( 4.079 -6.288 -1.417) 7.628 6.387 ( -0.469 1.759 3.822) 4.233 6.431 ( 1.589 -2.786 6.301) 7.070 6.753 ( -2.661 7.974 -5.442) 10.014 6.843 ( -2.751 0.059 -5.983) 6.585 6.948 ( -1.120 0.290 -3.325) 3.520 7.012 ( 1.211 -4.496 -1.804) 4.994 7.228 ( -4.385 6.899 -6.233) 10.280 7.348 ( -3.085 -5.254 -4.029) 7.305 8.234 ( -3.981 1.901 2.066) 4.871 8.290 ( -5.210 -3.726 2.426) 6.849 8.493 ( -2.073 3.016 -0.437) 3.686 8.533 ( -4.131 1.158 2.206) 4.824 8.645 ( 2.963 0.579 0.806) 3.125 8.662 ( -1.408 -3.456 -1.822) 4.153 8.857 ( -3.392 3.524 -7.438) 8.902 8.971 ( -3.608 -6.838 -5.984) 9.777 9.075 ( -0.591 2.010 -2.568) 3.314 9.136 ( -0.690 -3.851 -2.295) 4.536 9.282 ( 7.042 1.145 3.089) 7.775 9.324 ( 8.751 -3.697 -0.062) 9.501 9.675 ( 2.193 9.951 6.364) 12.014 9.863 ( -1.562 -6.747 2.808) 7.473 9.970 ( 10.600 6.091 0.112) 12.226 10.100 ( 10.548 -7.038 -0.192) 12.682 10.209 ( -0.748 6.167 -2.973) 6.888 10.308 ( 0.958 -2.216 -6.247) 6.697 10.392 ( 0.132 -0.904 -0.215) 0.938 10.499 ( -0.266 -11.531 6.082) 13.040 10.783 ( -2.037 0.638 -0.967) 2.344 10.843 ( -1.434 -5.453 -0.622) 5.672 11.316 ( -3.668 5.529 -2.118) 6.965 11.426 ( -3.510 -5.705 -0.432) 6.712 12.611 ( 2.315 4.146 4.272) 6.387 12.631 ( 1.204 2.256 2.619) 3.660 12.748 ( 2.132 6.818 -3.435) 7.927 12.818 ( 2.512 -0.275 -3.588) 4.389 13.845 ( -8.025 0.492 6.551) 10.371 13.869 ( -6.826 -2.180 7.785) 10.581 14.071 ( 0.901 1.542 -5.580) 5.858 14.116 ( 0.987 -2.813 -6.768) 7.395 19.746 ( -0.457 3.001 5.252) 6.066 19.790 ( 0.585 -1.185 3.699) 3.928 19.981 ( -0.108 1.375 1.556) 2.080 20.043 ( 0.395 -5.329 1.347) 5.511 20.877 ( -1.470 0.192 3.279) 3.599 20.905 ( -2.191 -2.760 2.957) 4.600 21.077 ( 0.068 3.258 0.031) 3.259 21.148 ( 0.762 -3.866 -2.393) 4.610 22.275 ( -2.749 6.240 6.591) 9.483 22.384 ( -1.016 -3.698 -0.270) 3.844 22.616 ( 1.064 2.045 -4.463) 5.024 22.699 ( 1.991 -5.332 -8.865) 10.535 23.517 ( 1.479 0.981 0.272) 1.795 23.542 ( 1.794 -1.503 -0.291) 2.359 24.146 ( -0.322 2.921 0.096) 2.940 24.163 ( 0.077 1.233 -0.834) 1.491 =================== 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 3/23520 10.0 122.627 135.716 190.157 0.000 -7.569 0.000 3/23520 20.0 26.602 21.707 35.534 0.000 -2.364 0.000 3/23520 30.0 12.351 9.607 15.402 0.000 -1.127 0.000 3/23520 40.0 7.557 5.933 9.171 0.000 -0.655 0.000 3/23520 50.0 5.342 4.283 6.411 0.000 -0.435 0.000 3/23520 60.0 4.115 3.367 4.915 0.000 -0.314 0.000 3/23520 70.0 3.350 2.788 3.992 0.000 -0.239 0.000 3/23520 80.0 2.832 2.390 3.371 0.000 -0.190 0.000 3/23520 90.0 2.459 2.099 2.925 0.000 -0.155 0.000 3/23520 100.0 2.178 1.877 2.590 0.000 -0.130 0.000 3/23520 110.0 1.959 1.702 2.328 0.000 -0.112 0.000 3/23520 120.0 1.783 1.560 2.119 0.000 -0.097 0.000 3/23520 130.0 1.638 1.442 1.946 0.000 -0.086 0.000 3/23520 140.0 1.516 1.343 1.802 0.000 -0.077 0.000 3/23520 150.0 1.413 1.258 1.680 0.000 -0.069 0.000 3/23520 160.0 1.324 1.185 1.574 0.000 -0.063 0.000 3/23520 170.0 1.246 1.121 1.483 0.000 -0.058 0.000 3/23520 180.0 1.178 1.064 1.402 0.000 -0.054 0.000 3/23520 190.0 1.117 1.014 1.330 0.000 -0.051 0.000 3/23520 200.0 1.062 0.968 1.266 0.000 -0.048 0.000 3/23520 210.0 1.013 0.927 1.209 0.000 -0.045 0.000 3/23520 220.0 0.968 0.890 1.157 0.000 -0.043 0.000 3/23520 230.0 0.928 0.856 1.109 0.000 -0.041 0.000 3/23520 240.0 0.890 0.825 1.066 0.000 -0.039 0.000 3/23520 250.0 0.856 0.797 1.026 0.000 -0.037 0.000 3/23520 260.0 0.824 0.770 0.989 0.000 -0.036 0.000 3/23520 270.0 0.795 0.745 0.955 0.000 -0.035 0.000 3/23520 280.0 0.768 0.722 0.923 0.000 -0.033 0.000 3/23520 290.0 0.743 0.701 0.894 0.000 -0.032 0.000 3/23520 300.0 0.719 0.681 0.866 0.000 -0.031 0.000 3/23520 310.0 0.697 0.662 0.840 0.000 -0.031 0.000 3/23520 320.0 0.676 0.644 0.816 0.000 -0.030 0.000 3/23520 330.0 0.656 0.627 0.793 0.000 -0.029 0.000 3/23520 340.0 0.638 0.611 0.771 0.000 -0.028 0.000 3/23520 350.0 0.621 0.596 0.751 0.000 -0.027 0.000 3/23520 360.0 0.604 0.581 0.732 0.000 -0.027 0.000 3/23520 370.0 0.588 0.567 0.713 0.000 -0.026 0.000 3/23520 380.0 0.573 0.554 0.696 0.000 -0.026 0.000 3/23520 390.0 0.559 0.542 0.679 0.000 -0.025 0.000 3/23520 400.0 0.546 0.530 0.663 0.000 -0.025 0.000 3/23520 410.0 0.533 0.518 0.648 0.000 -0.024 0.000 3/23520 420.0 0.521 0.507 0.634 0.000 -0.024 0.000 3/23520 430.0 0.509 0.497 0.620 0.000 -0.023 0.000 3/23520 440.0 0.498 0.487 0.607 0.000 -0.023 0.000 3/23520 450.0 0.487 0.477 0.594 0.000 -0.022 0.000 3/23520 460.0 0.477 0.468 0.582 0.000 -0.022 0.000 3/23520 470.0 0.467 0.459 0.570 0.000 -0.021 0.000 3/23520 480.0 0.458 0.450 0.559 0.000 -0.021 0.000 3/23520 490.0 0.449 0.442 0.548 0.000 -0.021 0.000 3/23520 500.0 0.440 0.434 0.538 0.000 -0.020 0.000 3/23520 510.0 0.432 0.426 0.528 0.000 -0.020 0.000 3/23520 520.0 0.424 0.419 0.518 0.000 -0.020 0.000 3/23520 530.0 0.416 0.412 0.509 0.000 -0.019 0.000 3/23520 540.0 0.409 0.405 0.500 0.000 -0.019 0.000 3/23520 550.0 0.401 0.398 0.491 0.000 -0.019 0.000 3/23520 560.0 0.394 0.391 0.483 0.000 -0.018 0.000 3/23520 570.0 0.388 0.385 0.475 0.000 -0.018 0.000 3/23520 580.0 0.381 0.379 0.467 0.000 -0.018 0.000 3/23520 590.0 0.375 0.373 0.460 0.000 -0.018 0.000 3/23520 600.0 0.369 0.367 0.452 0.000 -0.017 0.000 3/23520 610.0 0.363 0.362 0.445 0.000 -0.017 0.000 3/23520 620.0 0.357 0.356 0.438 0.000 -0.017 0.000 3/23520 630.0 0.352 0.351 0.432 0.000 -0.017 0.000 3/23520 640.0 0.346 0.346 0.425 0.000 -0.016 0.000 3/23520 650.0 0.341 0.341 0.419 0.000 -0.016 0.000 3/23520 660.0 0.336 0.336 0.413 0.000 -0.016 0.000 3/23520 670.0 0.331 0.332 0.407 0.000 -0.016 0.000 3/23520 680.0 0.326 0.327 0.401 0.000 -0.016 0.000 3/23520 690.0 0.322 0.322 0.395 0.000 -0.015 0.000 3/23520 700.0 0.317 0.318 0.390 0.000 -0.015 0.000 3/23520 710.0 0.313 0.314 0.385 0.000 -0.015 0.000 3/23520 720.0 0.309 0.310 0.379 0.000 -0.015 0.000 3/23520 730.0 0.304 0.306 0.374 0.000 -0.015 0.000 3/23520 740.0 0.300 0.302 0.370 0.000 -0.014 0.000 3/23520 750.0 0.297 0.298 0.365 0.000 -0.014 0.000 3/23520 760.0 0.293 0.294 0.360 0.000 -0.014 0.000 3/23520 770.0 0.289 0.291 0.356 0.000 -0.014 0.000 3/23520 780.0 0.285 0.287 0.351 0.000 -0.014 0.000 3/23520 790.0 0.282 0.284 0.347 0.000 -0.014 0.000 3/23520 800.0 0.278 0.280 0.343 0.000 -0.013 0.000 3/23520 810.0 0.275 0.277 0.339 0.000 -0.013 0.000 3/23520 820.0 0.272 0.274 0.334 0.000 -0.013 0.000 3/23520 830.0 0.268 0.271 0.331 0.000 -0.013 0.000 3/23520 840.0 0.265 0.268 0.327 0.000 -0.013 0.000 3/23520 850.0 0.262 0.265 0.323 0.000 -0.013 0.000 3/23520 860.0 0.259 0.262 0.319 0.000 -0.013 0.000 3/23520 870.0 0.256 0.259 0.316 0.000 -0.012 0.000 3/23520 880.0 0.253 0.256 0.312 0.000 -0.012 0.000 3/23520 890.0 0.251 0.253 0.309 0.000 -0.012 0.000 3/23520 900.0 0.248 0.251 0.305 0.000 -0.012 0.000 3/23520 910.0 0.245 0.248 0.302 0.000 -0.012 0.000 3/23520 920.0 0.243 0.245 0.299 0.000 -0.012 0.000 3/23520 930.0 0.240 0.243 0.296 0.000 -0.012 0.000 3/23520 940.0 0.237 0.240 0.293 0.000 -0.012 0.000 3/23520 950.0 0.235 0.238 0.290 0.000 -0.012 0.000 3/23520 960.0 0.233 0.235 0.287 0.000 -0.011 0.000 3/23520 970.0 0.230 0.233 0.284 0.000 -0.011 0.000 3/23520 980.0 0.228 0.231 0.281 0.000 -0.011 0.000 3/23520 990.0 0.226 0.229 0.278 0.000 -0.011 0.000 3/23520 1000.0 0.223 0.226 0.276 0.000 -0.011 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m577.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:06:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|