----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:22:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.165862111376664 0.000000000000000 0.000000000000000 b -2.582931055688332 4.473767820899708 0.000000000000000 c 0.000000000000000 0.000000000000000 14.026152150000000 Atomic positions (fractional): *1 O 0.28784401321931 0.00000000000000 0.25000000000000 15.999 2 O 0.00000000000000 0.28784401321931 0.25000000000000 15.999 3 O 0.71215598678069 0.71215598678069 0.25000000000000 15.999 4 O 0.71215598678069 0.00000000000000 0.75000000000000 15.999 5 O 0.00000000000000 0.71215598678069 0.75000000000000 15.999 6 O 0.28784401321931 0.28784401321931 0.75000000000000 15.999 *7 O 0.68207858966268 0.02936774743693 0.41536505861092 15.999 8 O 0.34728915777425 0.31792141033732 0.41536505861092 15.999 9 O 0.97063225256307 0.65271084222575 0.41536505861092 15.999 10 O 0.02936774743693 0.68207858966268 0.08463494138908 15.999 11 O 0.31792141033732 0.34728915777425 0.08463494138908 15.999 12 O 0.65271084222575 0.97063225256307 0.08463494138908 15.999 13 O 0.34728915777425 0.02936774743693 0.91536505861092 15.999 14 O 0.68207858966268 0.65271084222575 0.91536505861092 15.999 15 O 0.97063225256307 0.31792141033732 0.91536505861092 15.999 16 O 0.02936774743693 0.34728915777425 0.58463494138908 15.999 17 O 0.65271084222575 0.68207858966268 0.58463494138908 15.999 18 O 0.31792141033732 0.97063225256307 0.58463494138908 15.999 *19 Mg 0.33333333333333 0.66666666666667 0.98333679985279 24.305 20 Mg 0.66666666666667 0.33333333333333 0.51666320014721 24.305 21 Mg 0.66666666666667 0.33333333333333 0.01666320014721 24.305 22 Mg 0.33333333333333 0.66666666666667 0.48333679985279 24.305 *23 Mg 0.33333333333333 0.66666666666667 0.19068681089366 24.305 24 Mg 0.66666666666667 0.33333333333333 0.30931318910634 24.305 25 Mg 0.66666666666667 0.33333333333333 0.80931318910634 24.305 26 Mg 0.33333333333333 0.66666666666667 0.69068681089366 24.305 *27 Ta 0.00000000000000 0.00000000000000 0.64279207113232 180.948 28 Ta 0.00000000000000 0.00000000000000 0.85720792886768 180.948 29 Ta 0.00000000000000 0.00000000000000 0.35720792886767 180.948 30 Ta 0.00000000000000 0.00000000000000 0.14279207113233 180.948 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.165862111376664 0.000000000000000 0.000000000000000 b -2.582931055688332 4.473767820899708 0.000000000000000 c 0.000000000000000 0.000000000000000 14.026152150000000 Atomic positions (fractional): *1 O 0.28784401321931 0.00000000000000 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.28784401321931 0.25000000000000 15.999 > 2 3 O 0.71215598678069 0.71215598678069 0.25000000000000 15.999 > 3 4 O 0.71215598678069 0.00000000000000 0.75000000000000 15.999 > 4 5 O 0.00000000000000 0.71215598678069 0.75000000000000 15.999 > 5 6 O 0.28784401321931 0.28784401321931 0.75000000000000 15.999 > 6 *7 O 0.68207858966268 0.02936774743693 0.41536505861092 15.999 > 7 8 O 0.34728915777425 0.31792141033732 0.41536505861092 15.999 > 8 9 O 0.97063225256307 0.65271084222575 0.41536505861092 15.999 > 9 10 O 0.02936774743693 0.68207858966268 0.08463494138908 15.999 > 10 11 O 0.31792141033732 0.34728915777425 0.08463494138908 15.999 > 11 12 O 0.65271084222575 0.97063225256307 0.08463494138908 15.999 > 12 13 O 0.34728915777425 0.02936774743693 0.91536505861092 15.999 > 13 14 O 0.68207858966268 0.65271084222575 0.91536505861092 15.999 > 14 15 O 0.97063225256307 0.31792141033732 0.91536505861092 15.999 > 15 16 O 0.02936774743693 0.34728915777425 0.58463494138908 15.999 > 16 17 O 0.65271084222575 0.68207858966268 0.58463494138908 15.999 > 17 18 O 0.31792141033732 0.97063225256307 0.58463494138908 15.999 > 18 *19 Mg 0.33333333333333 0.66666666666667 0.98333679985279 24.305 > 19 20 Mg 0.66666666666667 0.33333333333333 0.51666320014721 24.305 > 20 21 Mg 0.66666666666667 0.33333333333333 0.01666320014721 24.305 > 21 22 Mg 0.33333333333333 0.66666666666667 0.48333679985279 24.305 > 22 *23 Mg 0.33333333333333 0.66666666666667 0.19068681089366 24.305 > 23 24 Mg 0.66666666666667 0.33333333333333 0.30931318910634 24.305 > 24 25 Mg 0.66666666666667 0.33333333333333 0.80931318910634 24.305 > 25 26 Mg 0.33333333333333 0.66666666666667 0.69068681089366 24.305 > 26 *27 Ta 0.00000000000000 0.00000000000000 0.64279207113232 180.948 > 27 28 Ta 0.00000000000000 0.00000000000000 0.85720792886768 180.948 > 28 29 Ta 0.00000000000000 0.00000000000000 0.35720792886767 180.948 > 29 30 Ta 0.00000000000000 0.00000000000000 0.14279207113233 180.948 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.331724222753328 0.000000000000000 0.000000000000000 b -5.165862111376664 8.947535641799416 0.000000000000000 c 0.000000000000000 0.000000000000000 14.026152150000000 Atomic positions (fractional): *1 O 0.14392200660966 0.00000000000000 0.25000000000000 15.999 > 1 2 O 0.64392200660966 0.00000000000000 0.25000000000000 15.999 > 1 3 O 0.14392200660966 0.50000000000000 0.25000000000000 15.999 > 1 4 O 0.64392200660966 0.50000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.14392200660966 0.25000000000000 15.999 > 2 6 O 0.50000000000000 0.14392200660966 0.25000000000000 15.999 > 2 7 O 0.00000000000000 0.64392200660966 0.25000000000000 15.999 > 2 8 O 0.50000000000000 0.64392200660966 0.25000000000000 15.999 > 2 9 O 0.35607799339035 0.35607799339035 0.25000000000000 15.999 > 3 10 O 0.85607799339035 0.35607799339035 0.25000000000000 15.999 > 3 11 O 0.35607799339035 0.85607799339035 0.25000000000000 15.999 > 3 12 O 0.85607799339035 0.85607799339035 0.25000000000000 15.999 > 3 13 O 0.35607799339035 0.00000000000000 0.75000000000000 15.999 > 4 14 O 0.85607799339035 0.00000000000000 0.75000000000000 15.999 > 4 15 O 0.35607799339035 0.50000000000000 0.75000000000000 15.999 > 4 16 O 0.85607799339035 0.50000000000000 0.75000000000000 15.999 > 4 17 O 0.00000000000000 0.35607799339035 0.75000000000000 15.999 > 5 18 O 0.50000000000000 0.35607799339035 0.75000000000000 15.999 > 5 19 O 0.00000000000000 0.85607799339035 0.75000000000000 15.999 > 5 20 O 0.50000000000000 0.85607799339035 0.75000000000000 15.999 > 5 21 O 0.14392200660966 0.14392200660966 0.75000000000000 15.999 > 6 22 O 0.64392200660966 0.14392200660966 0.75000000000000 15.999 > 6 23 O 0.14392200660966 0.64392200660966 0.75000000000000 15.999 > 6 24 O 0.64392200660966 0.64392200660966 0.75000000000000 15.999 > 6 *25 O 0.34103929483134 0.01468387371847 0.41536505861092 15.999 > 7 26 O 0.84103929483134 0.01468387371847 0.41536505861092 15.999 > 7 27 O 0.34103929483134 0.51468387371847 0.41536505861092 15.999 > 7 28 O 0.84103929483134 0.51468387371847 0.41536505861092 15.999 > 7 29 O 0.17364457888713 0.15896070516866 0.41536505861092 15.999 > 8 30 O 0.67364457888713 0.15896070516866 0.41536505861092 15.999 > 8 31 O 0.17364457888713 0.65896070516866 0.41536505861092 15.999 > 8 32 O 0.67364457888713 0.65896070516866 0.41536505861092 15.999 > 8 33 O 0.48531612628153 0.32635542111288 0.41536505861092 15.999 > 9 34 O 0.98531612628153 0.32635542111288 0.41536505861092 15.999 > 9 35 O 0.48531612628153 0.82635542111287 0.41536505861092 15.999 > 9 36 O 0.98531612628153 0.82635542111287 0.41536505861092 15.999 > 9 37 O 0.01468387371847 0.34103929483134 0.08463494138908 15.999 > 10 38 O 0.51468387371847 0.34103929483134 0.08463494138908 15.999 > 10 39 O 0.01468387371847 0.84103929483134 0.08463494138908 15.999 > 10 40 O 0.51468387371847 0.84103929483134 0.08463494138908 15.999 > 10 41 O 0.15896070516866 0.17364457888713 0.08463494138908 15.999 > 11 42 O 0.65896070516866 0.17364457888713 0.08463494138908 15.999 > 11 43 O 0.15896070516866 0.67364457888713 0.08463494138908 15.999 > 11 44 O 0.65896070516866 0.67364457888713 0.08463494138908 15.999 > 11 45 O 0.32635542111288 0.48531612628153 0.08463494138908 15.999 > 12 46 O 0.82635542111287 0.48531612628153 0.08463494138908 15.999 > 12 47 O 0.32635542111288 0.98531612628153 0.08463494138908 15.999 > 12 48 O 0.82635542111287 0.98531612628153 0.08463494138908 15.999 > 12 49 O 0.17364457888713 0.01468387371847 0.91536505861092 15.999 > 13 50 O 0.67364457888713 0.01468387371847 0.91536505861092 15.999 > 13 51 O 0.17364457888713 0.51468387371847 0.91536505861092 15.999 > 13 52 O 0.67364457888713 0.51468387371847 0.91536505861092 15.999 > 13 53 O 0.34103929483134 0.32635542111288 0.91536505861092 15.999 > 14 54 O 0.84103929483134 0.32635542111288 0.91536505861092 15.999 > 14 55 O 0.34103929483134 0.82635542111287 0.91536505861092 15.999 > 14 56 O 0.84103929483134 0.82635542111287 0.91536505861092 15.999 > 14 57 O 0.48531612628153 0.15896070516866 0.91536505861092 15.999 > 15 58 O 0.98531612628153 0.15896070516866 0.91536505861092 15.999 > 15 59 O 0.48531612628153 0.65896070516866 0.91536505861092 15.999 > 15 60 O 0.98531612628153 0.65896070516866 0.91536505861092 15.999 > 15 61 O 0.01468387371847 0.17364457888713 0.58463494138908 15.999 > 16 62 O 0.51468387371847 0.17364457888713 0.58463494138908 15.999 > 16 63 O 0.01468387371847 0.67364457888713 0.58463494138908 15.999 > 16 64 O 0.51468387371847 0.67364457888713 0.58463494138908 15.999 > 16 65 O 0.32635542111288 0.34103929483134 0.58463494138908 15.999 > 17 66 O 0.82635542111287 0.34103929483134 0.58463494138908 15.999 > 17 67 O 0.32635542111288 0.84103929483134 0.58463494138908 15.999 > 17 68 O 0.82635542111287 0.84103929483134 0.58463494138908 15.999 > 17 69 O 0.15896070516866 0.48531612628153 0.58463494138908 15.999 > 18 70 O 0.65896070516866 0.48531612628153 0.58463494138908 15.999 > 18 71 O 0.15896070516866 0.98531612628153 0.58463494138908 15.999 > 18 72 O 0.65896070516866 0.98531612628153 0.58463494138908 15.999 > 18 *73 Mg 0.16666666666667 0.33333333333333 0.98333679985279 24.305 > 19 74 Mg 0.66666666666667 0.33333333333333 0.98333679985279 24.305 > 19 75 Mg 0.16666666666667 0.83333333333333 0.98333679985279 24.305 > 19 76 Mg 0.66666666666667 0.83333333333333 0.98333679985279 24.305 > 19 77 Mg 0.33333333333333 0.16666666666667 0.51666320014721 24.305 > 20 78 Mg 0.83333333333333 0.16666666666667 0.51666320014721 24.305 > 20 79 Mg 0.33333333333333 0.66666666666667 0.51666320014721 24.305 > 20 80 Mg 0.83333333333333 0.66666666666667 0.51666320014721 24.305 > 20 81 Mg 0.33333333333333 0.16666666666667 0.01666320014721 24.305 > 21 82 Mg 0.83333333333333 0.16666666666667 0.01666320014721 24.305 > 21 83 Mg 0.33333333333333 0.66666666666667 0.01666320014721 24.305 > 21 84 Mg 0.83333333333333 0.66666666666667 0.01666320014721 24.305 > 21 85 Mg 0.16666666666667 0.33333333333333 0.48333679985279 24.305 > 22 86 Mg 0.66666666666667 0.33333333333333 0.48333679985279 24.305 > 22 87 Mg 0.16666666666667 0.83333333333333 0.48333679985279 24.305 > 22 88 Mg 0.66666666666667 0.83333333333333 0.48333679985279 24.305 > 22 *89 Mg 0.16666666666667 0.33333333333333 0.19068681089366 24.305 > 23 90 Mg 0.66666666666667 0.33333333333333 0.19068681089366 24.305 > 23 91 Mg 0.16666666666667 0.83333333333333 0.19068681089366 24.305 > 23 92 Mg 0.66666666666667 0.83333333333333 0.19068681089366 24.305 > 23 93 Mg 0.33333333333333 0.16666666666667 0.30931318910634 24.305 > 24 94 Mg 0.83333333333333 0.16666666666667 0.30931318910634 24.305 > 24 95 Mg 0.33333333333333 0.66666666666667 0.30931318910634 24.305 > 24 96 Mg 0.83333333333333 0.66666666666667 0.30931318910634 24.305 > 24 97 Mg 0.33333333333333 0.16666666666667 0.80931318910634 24.305 > 25 98 Mg 0.83333333333333 0.16666666666667 0.80931318910634 24.305 > 25 99 Mg 0.33333333333333 0.66666666666667 0.80931318910634 24.305 > 25 100 Mg 0.83333333333333 0.66666666666667 0.80931318910634 24.305 > 25 101 Mg 0.16666666666667 0.33333333333333 0.69068681089366 24.305 > 26 102 Mg 0.66666666666667 0.33333333333333 0.69068681089366 24.305 > 26 103 Mg 0.16666666666667 0.83333333333333 0.69068681089366 24.305 > 26 104 Mg 0.66666666666667 0.83333333333333 0.69068681089366 24.305 > 26 *105 Ta 0.00000000000000 0.00000000000000 0.64279207113232 180.948 > 27 106 Ta 0.50000000000000 0.00000000000000 0.64279207113232 180.948 > 27 107 Ta 0.00000000000000 0.50000000000000 0.64279207113232 180.948 > 27 108 Ta 0.50000000000000 0.50000000000000 0.64279207113232 180.948 > 27 109 Ta 0.00000000000000 0.00000000000000 0.85720792886768 180.948 > 28 110 Ta 0.50000000000000 0.00000000000000 0.85720792886768 180.948 > 28 111 Ta 0.00000000000000 0.50000000000000 0.85720792886768 180.948 > 28 112 Ta 0.50000000000000 0.50000000000000 0.85720792886768 180.948 > 28 113 Ta 0.00000000000000 0.00000000000000 0.35720792886767 180.948 > 29 114 Ta 0.50000000000000 0.00000000000000 0.35720792886767 180.948 > 29 115 Ta 0.00000000000000 0.50000000000000 0.35720792886767 180.948 > 29 116 Ta 0.50000000000000 0.50000000000000 0.35720792886767 180.948 > 29 117 Ta 0.00000000000000 0.00000000000000 0.14279207113233 180.948 > 30 118 Ta 0.50000000000000 0.00000000000000 0.14279207113233 180.948 > 30 119 Ta 0.00000000000000 0.50000000000000 0.14279207113233 180.948 > 30 120 Ta 0.50000000000000 0.50000000000000 0.14279207113233 180.948 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9068324 0.0000000 0.0000000 0.0000000 3.9068324 0.0000000 0.0000000 0.0000000 3.8383968 -------------------------- Born effective charges -------------------------- 1 O -2.6872326 0.0000000 -0.0000000 -0.0000000 -1.3851204 -0.1419206 -0.0000000 -0.1656080 -2.3425057 2 O -1.7106484 0.5638311 0.1229068 0.5638311 -2.3617045 0.0709603 0.1434207 0.0828040 -2.3425057 3 O -1.7106484 -0.5638311 -0.1229068 -0.5638311 -2.3617045 0.0709603 -0.1434207 0.0828040 -2.3425057 4 O -2.6872326 0.0000000 -0.0000000 -0.0000000 -1.3851204 -0.1419206 -0.0000000 -0.1656080 -2.3425057 5 O -1.7106484 0.5638311 0.1229068 0.5638311 -2.3617045 0.0709603 0.1434207 0.0828040 -2.3425057 6 O -1.7106484 -0.5638311 -0.1229068 -0.5638311 -2.3617045 0.0709603 -0.1434207 0.0828040 -2.3425057 7 O -3.1009840 0.2294108 0.7352246 0.1920420 -1.3897645 0.0100894 0.9183934 0.0573300 -1.9743676 8 O -2.0000637 -0.8276586 -0.3588747 -0.8650274 -2.4906847 -0.6417679 -0.4095474 -0.8240170 -1.9743676 9 O -1.6350750 0.6543010 -0.3763500 0.6169322 -2.8556735 0.6316785 -0.5088460 0.7666870 -1.9743676 10 O -2.0000637 0.8276586 0.3588747 0.8650274 -2.4906847 -0.6417679 0.4095474 -0.8240170 -1.9743676 11 O -1.6350750 -0.6543010 0.3763500 -0.6169322 -2.8556735 0.6316785 0.5088460 0.7666870 -1.9743676 12 O -3.1009840 -0.2294108 -0.7352246 -0.1920420 -1.3897645 0.0100894 -0.9183934 0.0573300 -1.9743676 13 O -3.1009840 -0.2294108 -0.7352246 -0.1920420 -1.3897645 0.0100894 -0.9183934 0.0573300 -1.9743676 14 O -1.6350750 -0.6543010 0.3763500 -0.6169322 -2.8556735 0.6316785 0.5088460 0.7666870 -1.9743676 15 O -2.0000637 0.8276586 0.3588747 0.8650274 -2.4906847 -0.6417679 0.4095474 -0.8240170 -1.9743676 16 O -1.6350750 0.6543010 -0.3763500 0.6169322 -2.8556735 0.6316785 -0.5088460 0.7666870 -1.9743676 17 O -2.0000637 -0.8276586 -0.3588747 -0.8650274 -2.4906847 -0.6417679 -0.4095474 -0.8240170 -1.9743676 18 O -3.1009840 0.2294108 0.7352246 0.1920420 -1.3897645 0.0100894 0.9183934 0.0573300 -1.9743676 19 Mg 2.3694637 -0.0519147 0.0000000 0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 20 Mg 2.3694637 0.0519147 0.0000000 -0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 21 Mg 2.3694637 -0.0519147 0.0000000 0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 22 Mg 2.3694637 0.0519147 0.0000000 -0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 23 Mg 2.3509427 -0.0349112 0.0000000 0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 24 Mg 2.3509427 0.0349112 0.0000000 -0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 25 Mg 2.3509427 -0.0349112 0.0000000 0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 26 Mg 2.3509427 0.0349112 0.0000000 -0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 27 Ta 5.0699810 0.0715488 0.0000000 -0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 28 Ta 5.0699810 -0.0715488 0.0000000 0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 29 Ta 5.0699810 0.0715488 0.0000000 -0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 30 Ta 5.0699810 -0.0715488 0.0000000 0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1426 Number of blocks in projector: 691 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 150 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 246 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 8), data: (576, 14) @ (14, 8) |-- (76, 72), data: True |-- (250, 246), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 10), data: (660, 22) @ (22, 10) |-- (160, 150), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 320 - Time: 1.961 Solver_block: 200 / 320 - Time: 1.990 Solver_block: 300 / 320 - Time: 1.989 Solver_block: 320 / 320 - Time: 0.466 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.442 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yx) -0.00000000 (yx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1426 Number of blocks in projector: 691 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 660 Use submatrix version of eigh solver. (1) Block: 500 / 660 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 660 / 660 (1) 150 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 244 eigenvectors found. (2) Block: 500 / 576 (2) 246 eigenvectors found. (2) Block: 576 / 576 (2) 72 eigenvectors found. (2) Complementary block size: 14 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 570 eigenvectors found. (1) Complementary block size: 6 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 190 Use standard eigh solver. Tree of FC basis block matrices: - (1426, 1403), data: False |-- (190, 185), data: True |-- (576, 570), data: False |-- (576, 570), data: False |-- (576, 8), data: (576, 14) @ (14, 8) |-- (76, 72), data: True |-- (250, 246), data: True |-- (250, 244), data: True |-- (660, 648), data: False |-- (660, 10), data: (660, 22) @ (22, 10) |-- (160, 150), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yx) -0.00000000 (yx) 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 03:23:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:23:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.165862111376664 0.000000000000000 0.000000000000000 b -2.582931055688332 4.473767820899708 0.000000000000000 c 0.000000000000000 0.000000000000000 14.026152150000000 Atomic positions (fractional): 1 O 0.28784401321931 0.00000000000000 0.25000000000000 15.999 2 O 0.00000000000000 0.28784401321931 0.25000000000000 15.999 3 O 0.71215598678069 0.71215598678069 0.25000000000000 15.999 4 O 0.71215598678069 0.00000000000000 0.75000000000000 15.999 5 O 0.00000000000000 0.71215598678069 0.75000000000000 15.999 6 O 0.28784401321931 0.28784401321931 0.75000000000000 15.999 7 O 0.68207858966268 0.02936774743693 0.41536505861092 15.999 8 O 0.34728915777425 0.31792141033732 0.41536505861092 15.999 9 O 0.97063225256307 0.65271084222575 0.41536505861092 15.999 10 O 0.02936774743693 0.68207858966268 0.08463494138908 15.999 11 O 0.31792141033732 0.34728915777425 0.08463494138908 15.999 12 O 0.65271084222575 0.97063225256307 0.08463494138908 15.999 13 O 0.34728915777425 0.02936774743693 0.91536505861092 15.999 14 O 0.68207858966268 0.65271084222575 0.91536505861092 15.999 15 O 0.97063225256307 0.31792141033732 0.91536505861092 15.999 16 O 0.02936774743693 0.34728915777425 0.58463494138908 15.999 17 O 0.65271084222575 0.68207858966268 0.58463494138908 15.999 18 O 0.31792141033732 0.97063225256307 0.58463494138908 15.999 19 Mg 0.33333333333333 0.66666666666667 0.98333679985279 24.305 20 Mg 0.66666666666667 0.33333333333333 0.51666320014721 24.305 21 Mg 0.66666666666667 0.33333333333333 0.01666320014721 24.305 22 Mg 0.33333333333333 0.66666666666667 0.48333679985279 24.305 23 Mg 0.33333333333333 0.66666666666667 0.19068681089366 24.305 24 Mg 0.66666666666667 0.33333333333333 0.30931318910634 24.305 25 Mg 0.66666666666667 0.33333333333333 0.80931318910634 24.305 26 Mg 0.33333333333333 0.66666666666667 0.69068681089366 24.305 27 Ta 0.00000000000000 0.00000000000000 0.64279207113232 180.948 28 Ta 0.00000000000000 0.00000000000000 0.85720792886768 180.948 29 Ta 0.00000000000000 0.00000000000000 0.35720792886767 180.948 30 Ta 0.00000000000000 0.00000000000000 0.14279207113233 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.331724222753328 0.000000000000000 0.000000000000000 b -5.165862111376664 8.947535641799416 0.000000000000000 c 0.000000000000000 0.000000000000000 14.026152150000000 Atomic positions (fractional): 1 O 0.14392200660966 0.00000000000000 0.25000000000000 15.999 > 1 2 O 0.64392200660966 0.00000000000000 0.25000000000000 15.999 > 1 3 O 0.14392200660966 0.50000000000000 0.25000000000000 15.999 > 1 4 O 0.64392200660966 0.50000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.14392200660966 0.25000000000000 15.999 > 5 6 O 0.50000000000000 0.14392200660966 0.25000000000000 15.999 > 5 7 O 0.00000000000000 0.64392200660966 0.25000000000000 15.999 > 5 8 O 0.50000000000000 0.64392200660966 0.25000000000000 15.999 > 5 9 O 0.35607799339035 0.35607799339035 0.25000000000000 15.999 > 9 10 O 0.85607799339035 0.35607799339035 0.25000000000000 15.999 > 9 11 O 0.35607799339035 0.85607799339035 0.25000000000000 15.999 > 9 12 O 0.85607799339035 0.85607799339035 0.25000000000000 15.999 > 9 13 O 0.35607799339035 0.00000000000000 0.75000000000000 15.999 > 13 14 O 0.85607799339035 0.00000000000000 0.75000000000000 15.999 > 13 15 O 0.35607799339035 0.50000000000000 0.75000000000000 15.999 > 13 16 O 0.85607799339035 0.50000000000000 0.75000000000000 15.999 > 13 17 O 0.00000000000000 0.35607799339035 0.75000000000000 15.999 > 17 18 O 0.50000000000000 0.35607799339035 0.75000000000000 15.999 > 17 19 O 0.00000000000000 0.85607799339035 0.75000000000000 15.999 > 17 20 O 0.50000000000000 0.85607799339035 0.75000000000000 15.999 > 17 21 O 0.14392200660966 0.14392200660966 0.75000000000000 15.999 > 21 22 O 0.64392200660966 0.14392200660966 0.75000000000000 15.999 > 21 23 O 0.14392200660966 0.64392200660966 0.75000000000000 15.999 > 21 24 O 0.64392200660966 0.64392200660966 0.75000000000000 15.999 > 21 25 O 0.34103929483134 0.01468387371847 0.41536505861092 15.999 > 25 26 O 0.84103929483134 0.01468387371847 0.41536505861092 15.999 > 25 27 O 0.34103929483134 0.51468387371847 0.41536505861092 15.999 > 25 28 O 0.84103929483134 0.51468387371847 0.41536505861092 15.999 > 25 29 O 0.17364457888713 0.15896070516866 0.41536505861092 15.999 > 29 30 O 0.67364457888713 0.15896070516866 0.41536505861092 15.999 > 29 31 O 0.17364457888713 0.65896070516866 0.41536505861092 15.999 > 29 32 O 0.67364457888713 0.65896070516866 0.41536505861092 15.999 > 29 33 O 0.48531612628153 0.32635542111288 0.41536505861092 15.999 > 33 34 O 0.98531612628153 0.32635542111288 0.41536505861092 15.999 > 33 35 O 0.48531612628153 0.82635542111287 0.41536505861092 15.999 > 33 36 O 0.98531612628153 0.82635542111287 0.41536505861092 15.999 > 33 37 O 0.01468387371847 0.34103929483134 0.08463494138908 15.999 > 37 38 O 0.51468387371847 0.34103929483134 0.08463494138908 15.999 > 37 39 O 0.01468387371847 0.84103929483134 0.08463494138908 15.999 > 37 40 O 0.51468387371847 0.84103929483134 0.08463494138908 15.999 > 37 41 O 0.15896070516866 0.17364457888713 0.08463494138908 15.999 > 41 42 O 0.65896070516866 0.17364457888713 0.08463494138908 15.999 > 41 43 O 0.15896070516866 0.67364457888713 0.08463494138908 15.999 > 41 44 O 0.65896070516866 0.67364457888713 0.08463494138908 15.999 > 41 45 O 0.32635542111288 0.48531612628153 0.08463494138908 15.999 > 45 46 O 0.82635542111287 0.48531612628153 0.08463494138908 15.999 > 45 47 O 0.32635542111288 0.98531612628153 0.08463494138908 15.999 > 45 48 O 0.82635542111287 0.98531612628153 0.08463494138908 15.999 > 45 49 O 0.17364457888713 0.01468387371847 0.91536505861092 15.999 > 49 50 O 0.67364457888713 0.01468387371847 0.91536505861092 15.999 > 49 51 O 0.17364457888713 0.51468387371847 0.91536505861092 15.999 > 49 52 O 0.67364457888713 0.51468387371847 0.91536505861092 15.999 > 49 53 O 0.34103929483134 0.32635542111288 0.91536505861092 15.999 > 53 54 O 0.84103929483134 0.32635542111288 0.91536505861092 15.999 > 53 55 O 0.34103929483134 0.82635542111287 0.91536505861092 15.999 > 53 56 O 0.84103929483134 0.82635542111287 0.91536505861092 15.999 > 53 57 O 0.48531612628153 0.15896070516866 0.91536505861092 15.999 > 57 58 O 0.98531612628153 0.15896070516866 0.91536505861092 15.999 > 57 59 O 0.48531612628153 0.65896070516866 0.91536505861092 15.999 > 57 60 O 0.98531612628153 0.65896070516866 0.91536505861092 15.999 > 57 61 O 0.01468387371847 0.17364457888713 0.58463494138908 15.999 > 61 62 O 0.51468387371847 0.17364457888713 0.58463494138908 15.999 > 61 63 O 0.01468387371847 0.67364457888713 0.58463494138908 15.999 > 61 64 O 0.51468387371847 0.67364457888713 0.58463494138908 15.999 > 61 65 O 0.32635542111288 0.34103929483134 0.58463494138908 15.999 > 65 66 O 0.82635542111287 0.34103929483134 0.58463494138908 15.999 > 65 67 O 0.32635542111288 0.84103929483134 0.58463494138908 15.999 > 65 68 O 0.82635542111287 0.84103929483134 0.58463494138908 15.999 > 65 69 O 0.15896070516866 0.48531612628153 0.58463494138908 15.999 > 69 70 O 0.65896070516866 0.48531612628153 0.58463494138908 15.999 > 69 71 O 0.15896070516866 0.98531612628153 0.58463494138908 15.999 > 69 72 O 0.65896070516866 0.98531612628153 0.58463494138908 15.999 > 69 73 Mg 0.16666666666667 0.33333333333333 0.98333679985279 24.305 > 73 74 Mg 0.66666666666667 0.33333333333333 0.98333679985279 24.305 > 73 75 Mg 0.16666666666667 0.83333333333333 0.98333679985279 24.305 > 73 76 Mg 0.66666666666667 0.83333333333333 0.98333679985279 24.305 > 73 77 Mg 0.33333333333333 0.16666666666667 0.51666320014721 24.305 > 77 78 Mg 0.83333333333333 0.16666666666667 0.51666320014721 24.305 > 77 79 Mg 0.33333333333333 0.66666666666667 0.51666320014721 24.305 > 77 80 Mg 0.83333333333333 0.66666666666667 0.51666320014721 24.305 > 77 81 Mg 0.33333333333333 0.16666666666667 0.01666320014721 24.305 > 81 82 Mg 0.83333333333333 0.16666666666667 0.01666320014721 24.305 > 81 83 Mg 0.33333333333333 0.66666666666667 0.01666320014721 24.305 > 81 84 Mg 0.83333333333333 0.66666666666667 0.01666320014721 24.305 > 81 85 Mg 0.16666666666667 0.33333333333333 0.48333679985279 24.305 > 85 86 Mg 0.66666666666667 0.33333333333333 0.48333679985279 24.305 > 85 87 Mg 0.16666666666667 0.83333333333333 0.48333679985279 24.305 > 85 88 Mg 0.66666666666667 0.83333333333333 0.48333679985279 24.305 > 85 89 Mg 0.16666666666667 0.33333333333333 0.19068681089366 24.305 > 89 90 Mg 0.66666666666667 0.33333333333333 0.19068681089366 24.305 > 89 91 Mg 0.16666666666667 0.83333333333333 0.19068681089366 24.305 > 89 92 Mg 0.66666666666667 0.83333333333333 0.19068681089366 24.305 > 89 93 Mg 0.33333333333333 0.16666666666667 0.30931318910634 24.305 > 93 94 Mg 0.83333333333333 0.16666666666667 0.30931318910634 24.305 > 93 95 Mg 0.33333333333333 0.66666666666667 0.30931318910634 24.305 > 93 96 Mg 0.83333333333333 0.66666666666667 0.30931318910634 24.305 > 93 97 Mg 0.33333333333333 0.16666666666667 0.80931318910634 24.305 > 97 98 Mg 0.83333333333333 0.16666666666667 0.80931318910634 24.305 > 97 99 Mg 0.33333333333333 0.66666666666667 0.80931318910634 24.305 > 97 100 Mg 0.83333333333333 0.66666666666667 0.80931318910634 24.305 > 97 101 Mg 0.16666666666667 0.33333333333333 0.69068681089366 24.305 > 101 102 Mg 0.66666666666667 0.33333333333333 0.69068681089366 24.305 > 101 103 Mg 0.16666666666667 0.83333333333333 0.69068681089366 24.305 > 101 104 Mg 0.66666666666667 0.83333333333333 0.69068681089366 24.305 > 101 105 Ta 0.00000000000000 0.00000000000000 0.64279207113232 180.948 > 105 106 Ta 0.50000000000000 0.00000000000000 0.64279207113232 180.948 > 105 107 Ta 0.00000000000000 0.50000000000000 0.64279207113232 180.948 > 105 108 Ta 0.50000000000000 0.50000000000000 0.64279207113232 180.948 > 105 109 Ta 0.00000000000000 0.00000000000000 0.85720792886768 180.948 > 109 110 Ta 0.50000000000000 0.00000000000000 0.85720792886768 180.948 > 109 111 Ta 0.00000000000000 0.50000000000000 0.85720792886768 180.948 > 109 112 Ta 0.50000000000000 0.50000000000000 0.85720792886768 180.948 > 109 113 Ta 0.00000000000000 0.00000000000000 0.35720792886767 180.948 > 113 114 Ta 0.50000000000000 0.00000000000000 0.35720792886767 180.948 > 113 115 Ta 0.00000000000000 0.50000000000000 0.35720792886767 180.948 > 113 116 Ta 0.50000000000000 0.50000000000000 0.35720792886767 180.948 > 113 117 Ta 0.00000000000000 0.00000000000000 0.14279207113233 180.948 > 117 118 Ta 0.50000000000000 0.00000000000000 0.14279207113233 180.948 > 117 119 Ta 0.00000000000000 0.50000000000000 0.14279207113233 180.948 > 117 120 Ta 0.50000000000000 0.50000000000000 0.14279207113233 180.948 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.9068324 0.0000000 0.0000000 0.0000000 3.9068324 0.0000000 0.0000000 0.0000000 3.8383968 -------------------------- Born effective charges -------------------------- 1 O -2.6872326 0.0000000 -0.0000000 -0.0000000 -1.3851204 -0.1419206 -0.0000000 -0.1656080 -2.3425057 2 O -1.7106484 0.5638311 0.1229068 0.5638311 -2.3617045 0.0709603 0.1434207 0.0828040 -2.3425057 3 O -1.7106484 -0.5638311 -0.1229068 -0.5638311 -2.3617045 0.0709603 -0.1434207 0.0828040 -2.3425057 4 O -2.6872326 0.0000000 -0.0000000 -0.0000000 -1.3851204 -0.1419206 -0.0000000 -0.1656080 -2.3425057 5 O -1.7106484 0.5638311 0.1229068 0.5638311 -2.3617045 0.0709603 0.1434207 0.0828040 -2.3425057 6 O -1.7106484 -0.5638311 -0.1229068 -0.5638311 -2.3617045 0.0709603 -0.1434207 0.0828040 -2.3425057 7 O -3.1009840 0.2294108 0.7352246 0.1920420 -1.3897645 0.0100894 0.9183934 0.0573300 -1.9743676 8 O -2.0000637 -0.8276586 -0.3588747 -0.8650274 -2.4906847 -0.6417679 -0.4095474 -0.8240170 -1.9743676 9 O -1.6350750 0.6543010 -0.3763500 0.6169322 -2.8556735 0.6316785 -0.5088460 0.7666870 -1.9743676 10 O -2.0000637 0.8276586 0.3588747 0.8650274 -2.4906847 -0.6417679 0.4095474 -0.8240170 -1.9743676 11 O -1.6350750 -0.6543010 0.3763500 -0.6169322 -2.8556735 0.6316785 0.5088460 0.7666870 -1.9743676 12 O -3.1009840 -0.2294108 -0.7352246 -0.1920420 -1.3897645 0.0100894 -0.9183934 0.0573300 -1.9743676 13 O -3.1009840 -0.2294108 -0.7352246 -0.1920420 -1.3897645 0.0100894 -0.9183934 0.0573300 -1.9743676 14 O -1.6350750 -0.6543010 0.3763500 -0.6169322 -2.8556735 0.6316785 0.5088460 0.7666870 -1.9743676 15 O -2.0000637 0.8276586 0.3588747 0.8650274 -2.4906847 -0.6417679 0.4095474 -0.8240170 -1.9743676 16 O -1.6350750 0.6543010 -0.3763500 0.6169322 -2.8556735 0.6316785 -0.5088460 0.7666870 -1.9743676 17 O -2.0000637 -0.8276586 -0.3588747 -0.8650274 -2.4906847 -0.6417679 -0.4095474 -0.8240170 -1.9743676 18 O -3.1009840 0.2294108 0.7352246 0.1920420 -1.3897645 0.0100894 0.9183934 0.0573300 -1.9743676 19 Mg 2.3694637 -0.0519147 0.0000000 0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 20 Mg 2.3694637 0.0519147 0.0000000 -0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 21 Mg 2.3694637 -0.0519147 0.0000000 0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 22 Mg 2.3694637 0.0519147 0.0000000 -0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 23 Mg 2.3509427 -0.0349112 0.0000000 0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 24 Mg 2.3509427 0.0349112 0.0000000 -0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 25 Mg 2.3509427 -0.0349112 0.0000000 0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 26 Mg 2.3509427 0.0349112 0.0000000 -0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 27 Ta 5.0699810 0.0715488 0.0000000 -0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 28 Ta 5.0699810 -0.0715488 0.0000000 0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 29 Ta 5.0699810 0.0715488 0.0000000 -0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 30 Ta 5.0699810 -0.0715488 0.0000000 0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 ---------------------------------------------------------------------------- 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): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000004 (xzx) -0.00000004 (xzx) -0.00000004 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000008 (yx) 0.00000008 (yx) 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 03:23:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:23:31]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. -0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-3c1 (165) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.165862111376664 0.000000000000000 0.000000000000000 b -2.582931055688332 4.473767820899708 0.000000000000000 c 0.000000000000000 0.000000000000000 14.026152150000000 Atomic positions (fractional): 1 O 0.28784401321931 0.00000000000000 0.25000000000000 15.999 2 O 0.00000000000000 0.28784401321931 0.25000000000000 15.999 3 O 0.71215598678069 0.71215598678069 0.25000000000000 15.999 4 O 0.71215598678069 0.00000000000000 0.75000000000000 15.999 5 O 0.00000000000000 0.71215598678069 0.75000000000000 15.999 6 O 0.28784401321931 0.28784401321931 0.75000000000000 15.999 7 O 0.68207858966268 0.02936774743693 0.41536505861092 15.999 8 O 0.34728915777425 0.31792141033732 0.41536505861092 15.999 9 O 0.97063225256307 0.65271084222575 0.41536505861092 15.999 10 O 0.02936774743693 0.68207858966268 0.08463494138908 15.999 11 O 0.31792141033732 0.34728915777425 0.08463494138908 15.999 12 O 0.65271084222575 0.97063225256307 0.08463494138908 15.999 13 O 0.34728915777425 0.02936774743693 0.91536505861092 15.999 14 O 0.68207858966268 0.65271084222575 0.91536505861092 15.999 15 O 0.97063225256307 0.31792141033732 0.91536505861092 15.999 16 O 0.02936774743693 0.34728915777425 0.58463494138908 15.999 17 O 0.65271084222575 0.68207858966268 0.58463494138908 15.999 18 O 0.31792141033732 0.97063225256307 0.58463494138908 15.999 19 Mg 0.33333333333333 0.66666666666667 0.98333679985279 24.305 20 Mg 0.66666666666667 0.33333333333333 0.51666320014721 24.305 21 Mg 0.66666666666667 0.33333333333333 0.01666320014721 24.305 22 Mg 0.33333333333333 0.66666666666667 0.48333679985279 24.305 23 Mg 0.33333333333333 0.66666666666667 0.19068681089366 24.305 24 Mg 0.66666666666667 0.33333333333333 0.30931318910634 24.305 25 Mg 0.66666666666667 0.33333333333333 0.80931318910634 24.305 26 Mg 0.33333333333333 0.66666666666667 0.69068681089366 24.305 27 Ta 0.00000000000000 0.00000000000000 0.64279207113232 180.948 28 Ta 0.00000000000000 0.00000000000000 0.85720792886768 180.948 29 Ta 0.00000000000000 0.00000000000000 0.35720792886767 180.948 30 Ta 0.00000000000000 0.00000000000000 0.14279207113233 180.948 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.331724222753328 0.000000000000000 0.000000000000000 b -5.165862111376664 8.947535641799416 0.000000000000000 c 0.000000000000000 0.000000000000000 14.026152150000000 Atomic positions (fractional): 1 O 0.14392200660966 0.00000000000000 0.25000000000000 15.999 > 1 2 O 0.64392200660966 0.00000000000000 0.25000000000000 15.999 > 1 3 O 0.14392200660966 0.50000000000000 0.25000000000000 15.999 > 1 4 O 0.64392200660966 0.50000000000000 0.25000000000000 15.999 > 1 5 O 0.00000000000000 0.14392200660966 0.25000000000000 15.999 > 5 6 O 0.50000000000000 0.14392200660966 0.25000000000000 15.999 > 5 7 O 0.00000000000000 0.64392200660966 0.25000000000000 15.999 > 5 8 O 0.50000000000000 0.64392200660966 0.25000000000000 15.999 > 5 9 O 0.35607799339035 0.35607799339035 0.25000000000000 15.999 > 9 10 O 0.85607799339035 0.35607799339035 0.25000000000000 15.999 > 9 11 O 0.35607799339035 0.85607799339035 0.25000000000000 15.999 > 9 12 O 0.85607799339035 0.85607799339035 0.25000000000000 15.999 > 9 13 O 0.35607799339035 0.00000000000000 0.75000000000000 15.999 > 13 14 O 0.85607799339035 0.00000000000000 0.75000000000000 15.999 > 13 15 O 0.35607799339035 0.50000000000000 0.75000000000000 15.999 > 13 16 O 0.85607799339035 0.50000000000000 0.75000000000000 15.999 > 13 17 O 0.00000000000000 0.35607799339035 0.75000000000000 15.999 > 17 18 O 0.50000000000000 0.35607799339035 0.75000000000000 15.999 > 17 19 O 0.00000000000000 0.85607799339035 0.75000000000000 15.999 > 17 20 O 0.50000000000000 0.85607799339035 0.75000000000000 15.999 > 17 21 O 0.14392200660966 0.14392200660966 0.75000000000000 15.999 > 21 22 O 0.64392200660966 0.14392200660966 0.75000000000000 15.999 > 21 23 O 0.14392200660966 0.64392200660966 0.75000000000000 15.999 > 21 24 O 0.64392200660966 0.64392200660966 0.75000000000000 15.999 > 21 25 O 0.34103929483134 0.01468387371847 0.41536505861092 15.999 > 25 26 O 0.84103929483134 0.01468387371847 0.41536505861092 15.999 > 25 27 O 0.34103929483134 0.51468387371847 0.41536505861092 15.999 > 25 28 O 0.84103929483134 0.51468387371847 0.41536505861092 15.999 > 25 29 O 0.17364457888713 0.15896070516866 0.41536505861092 15.999 > 29 30 O 0.67364457888713 0.15896070516866 0.41536505861092 15.999 > 29 31 O 0.17364457888713 0.65896070516866 0.41536505861092 15.999 > 29 32 O 0.67364457888713 0.65896070516866 0.41536505861092 15.999 > 29 33 O 0.48531612628153 0.32635542111288 0.41536505861092 15.999 > 33 34 O 0.98531612628153 0.32635542111288 0.41536505861092 15.999 > 33 35 O 0.48531612628153 0.82635542111287 0.41536505861092 15.999 > 33 36 O 0.98531612628153 0.82635542111287 0.41536505861092 15.999 > 33 37 O 0.01468387371847 0.34103929483134 0.08463494138908 15.999 > 37 38 O 0.51468387371847 0.34103929483134 0.08463494138908 15.999 > 37 39 O 0.01468387371847 0.84103929483134 0.08463494138908 15.999 > 37 40 O 0.51468387371847 0.84103929483134 0.08463494138908 15.999 > 37 41 O 0.15896070516866 0.17364457888713 0.08463494138908 15.999 > 41 42 O 0.65896070516866 0.17364457888713 0.08463494138908 15.999 > 41 43 O 0.15896070516866 0.67364457888713 0.08463494138908 15.999 > 41 44 O 0.65896070516866 0.67364457888713 0.08463494138908 15.999 > 41 45 O 0.32635542111288 0.48531612628153 0.08463494138908 15.999 > 45 46 O 0.82635542111287 0.48531612628153 0.08463494138908 15.999 > 45 47 O 0.32635542111288 0.98531612628153 0.08463494138908 15.999 > 45 48 O 0.82635542111287 0.98531612628153 0.08463494138908 15.999 > 45 49 O 0.17364457888713 0.01468387371847 0.91536505861092 15.999 > 49 50 O 0.67364457888713 0.01468387371847 0.91536505861092 15.999 > 49 51 O 0.17364457888713 0.51468387371847 0.91536505861092 15.999 > 49 52 O 0.67364457888713 0.51468387371847 0.91536505861092 15.999 > 49 53 O 0.34103929483134 0.32635542111288 0.91536505861092 15.999 > 53 54 O 0.84103929483134 0.32635542111288 0.91536505861092 15.999 > 53 55 O 0.34103929483134 0.82635542111287 0.91536505861092 15.999 > 53 56 O 0.84103929483134 0.82635542111287 0.91536505861092 15.999 > 53 57 O 0.48531612628153 0.15896070516866 0.91536505861092 15.999 > 57 58 O 0.98531612628153 0.15896070516866 0.91536505861092 15.999 > 57 59 O 0.48531612628153 0.65896070516866 0.91536505861092 15.999 > 57 60 O 0.98531612628153 0.65896070516866 0.91536505861092 15.999 > 57 61 O 0.01468387371847 0.17364457888713 0.58463494138908 15.999 > 61 62 O 0.51468387371847 0.17364457888713 0.58463494138908 15.999 > 61 63 O 0.01468387371847 0.67364457888713 0.58463494138908 15.999 > 61 64 O 0.51468387371847 0.67364457888713 0.58463494138908 15.999 > 61 65 O 0.32635542111288 0.34103929483134 0.58463494138908 15.999 > 65 66 O 0.82635542111287 0.34103929483134 0.58463494138908 15.999 > 65 67 O 0.32635542111288 0.84103929483134 0.58463494138908 15.999 > 65 68 O 0.82635542111287 0.84103929483134 0.58463494138908 15.999 > 65 69 O 0.15896070516866 0.48531612628153 0.58463494138908 15.999 > 69 70 O 0.65896070516866 0.48531612628153 0.58463494138908 15.999 > 69 71 O 0.15896070516866 0.98531612628153 0.58463494138908 15.999 > 69 72 O 0.65896070516866 0.98531612628153 0.58463494138908 15.999 > 69 73 Mg 0.16666666666667 0.33333333333333 0.98333679985279 24.305 > 73 74 Mg 0.66666666666667 0.33333333333333 0.98333679985279 24.305 > 73 75 Mg 0.16666666666667 0.83333333333333 0.98333679985279 24.305 > 73 76 Mg 0.66666666666667 0.83333333333333 0.98333679985279 24.305 > 73 77 Mg 0.33333333333333 0.16666666666667 0.51666320014721 24.305 > 77 78 Mg 0.83333333333333 0.16666666666667 0.51666320014721 24.305 > 77 79 Mg 0.33333333333333 0.66666666666667 0.51666320014721 24.305 > 77 80 Mg 0.83333333333333 0.66666666666667 0.51666320014721 24.305 > 77 81 Mg 0.33333333333333 0.16666666666667 0.01666320014721 24.305 > 81 82 Mg 0.83333333333333 0.16666666666667 0.01666320014721 24.305 > 81 83 Mg 0.33333333333333 0.66666666666667 0.01666320014721 24.305 > 81 84 Mg 0.83333333333333 0.66666666666667 0.01666320014721 24.305 > 81 85 Mg 0.16666666666667 0.33333333333333 0.48333679985279 24.305 > 85 86 Mg 0.66666666666667 0.33333333333333 0.48333679985279 24.305 > 85 87 Mg 0.16666666666667 0.83333333333333 0.48333679985279 24.305 > 85 88 Mg 0.66666666666667 0.83333333333333 0.48333679985279 24.305 > 85 89 Mg 0.16666666666667 0.33333333333333 0.19068681089366 24.305 > 89 90 Mg 0.66666666666667 0.33333333333333 0.19068681089366 24.305 > 89 91 Mg 0.16666666666667 0.83333333333333 0.19068681089366 24.305 > 89 92 Mg 0.66666666666667 0.83333333333333 0.19068681089366 24.305 > 89 93 Mg 0.33333333333333 0.16666666666667 0.30931318910634 24.305 > 93 94 Mg 0.83333333333333 0.16666666666667 0.30931318910634 24.305 > 93 95 Mg 0.33333333333333 0.66666666666667 0.30931318910634 24.305 > 93 96 Mg 0.83333333333333 0.66666666666667 0.30931318910634 24.305 > 93 97 Mg 0.33333333333333 0.16666666666667 0.80931318910634 24.305 > 97 98 Mg 0.83333333333333 0.16666666666667 0.80931318910634 24.305 > 97 99 Mg 0.33333333333333 0.66666666666667 0.80931318910634 24.305 > 97 100 Mg 0.83333333333333 0.66666666666667 0.80931318910634 24.305 > 97 101 Mg 0.16666666666667 0.33333333333333 0.69068681089366 24.305 > 101 102 Mg 0.66666666666667 0.33333333333333 0.69068681089366 24.305 > 101 103 Mg 0.16666666666667 0.83333333333333 0.69068681089366 24.305 > 101 104 Mg 0.66666666666667 0.83333333333333 0.69068681089366 24.305 > 101 105 Ta 0.00000000000000 0.00000000000000 0.64279207113232 180.948 > 105 106 Ta 0.50000000000000 0.00000000000000 0.64279207113232 180.948 > 105 107 Ta 0.00000000000000 0.50000000000000 0.64279207113232 180.948 > 105 108 Ta 0.50000000000000 0.50000000000000 0.64279207113232 180.948 > 105 109 Ta 0.00000000000000 0.00000000000000 0.85720792886768 180.948 > 109 110 Ta 0.50000000000000 0.00000000000000 0.85720792886768 180.948 > 109 111 Ta 0.00000000000000 0.50000000000000 0.85720792886768 180.948 > 109 112 Ta 0.50000000000000 0.50000000000000 0.85720792886768 180.948 > 109 113 Ta 0.00000000000000 0.00000000000000 0.35720792886767 180.948 > 113 114 Ta 0.50000000000000 0.00000000000000 0.35720792886767 180.948 > 113 115 Ta 0.00000000000000 0.50000000000000 0.35720792886767 180.948 > 113 116 Ta 0.50000000000000 0.50000000000000 0.35720792886767 180.948 > 113 117 Ta 0.00000000000000 0.00000000000000 0.14279207113233 180.948 > 117 118 Ta 0.50000000000000 0.00000000000000 0.14279207113233 180.948 > 117 119 Ta 0.00000000000000 0.50000000000000 0.14279207113233 180.948 > 117 120 Ta 0.50000000000000 0.50000000000000 0.14279207113233 180.948 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.9068324 0.0000000 0.0000000 0.0000000 3.9068324 0.0000000 0.0000000 0.0000000 3.8383968 -------------------------- Born effective charges -------------------------- 1 O -2.6872326 0.0000000 -0.0000000 -0.0000000 -1.3851204 -0.1419206 -0.0000000 -0.1656080 -2.3425057 2 O -1.7106484 0.5638311 0.1229068 0.5638311 -2.3617045 0.0709603 0.1434207 0.0828040 -2.3425057 3 O -1.7106484 -0.5638311 -0.1229068 -0.5638311 -2.3617045 0.0709603 -0.1434207 0.0828040 -2.3425057 4 O -2.6872326 0.0000000 -0.0000000 -0.0000000 -1.3851204 -0.1419206 -0.0000000 -0.1656080 -2.3425057 5 O -1.7106484 0.5638311 0.1229068 0.5638311 -2.3617045 0.0709603 0.1434207 0.0828040 -2.3425057 6 O -1.7106484 -0.5638311 -0.1229068 -0.5638311 -2.3617045 0.0709603 -0.1434207 0.0828040 -2.3425057 7 O -3.1009840 0.2294108 0.7352246 0.1920420 -1.3897645 0.0100894 0.9183934 0.0573300 -1.9743676 8 O -2.0000637 -0.8276586 -0.3588747 -0.8650274 -2.4906847 -0.6417679 -0.4095474 -0.8240170 -1.9743676 9 O -1.6350750 0.6543010 -0.3763500 0.6169322 -2.8556735 0.6316785 -0.5088460 0.7666870 -1.9743676 10 O -2.0000637 0.8276586 0.3588747 0.8650274 -2.4906847 -0.6417679 0.4095474 -0.8240170 -1.9743676 11 O -1.6350750 -0.6543010 0.3763500 -0.6169322 -2.8556735 0.6316785 0.5088460 0.7666870 -1.9743676 12 O -3.1009840 -0.2294108 -0.7352246 -0.1920420 -1.3897645 0.0100894 -0.9183934 0.0573300 -1.9743676 13 O -3.1009840 -0.2294108 -0.7352246 -0.1920420 -1.3897645 0.0100894 -0.9183934 0.0573300 -1.9743676 14 O -1.6350750 -0.6543010 0.3763500 -0.6169322 -2.8556735 0.6316785 0.5088460 0.7666870 -1.9743676 15 O -2.0000637 0.8276586 0.3588747 0.8650274 -2.4906847 -0.6417679 0.4095474 -0.8240170 -1.9743676 16 O -1.6350750 0.6543010 -0.3763500 0.6169322 -2.8556735 0.6316785 -0.5088460 0.7666870 -1.9743676 17 O -2.0000637 -0.8276586 -0.3588747 -0.8650274 -2.4906847 -0.6417679 -0.4095474 -0.8240170 -1.9743676 18 O -3.1009840 0.2294108 0.7352246 0.1920420 -1.3897645 0.0100894 0.9183934 0.0573300 -1.9743676 19 Mg 2.3694637 -0.0519147 0.0000000 0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 20 Mg 2.3694637 0.0519147 0.0000000 -0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 21 Mg 2.3694637 -0.0519147 0.0000000 0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 22 Mg 2.3694637 0.0519147 0.0000000 -0.0519147 2.3694637 -0.0000000 -0.0000000 -0.0000000 2.7289260 23 Mg 2.3509427 -0.0349112 0.0000000 0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 24 Mg 2.3509427 0.0349112 0.0000000 -0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 25 Mg 2.3509427 -0.0349112 0.0000000 0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 26 Mg 2.3509427 0.0349112 0.0000000 -0.0349112 2.3509427 -0.0000000 -0.0000000 -0.0000000 1.5541366 27 Ta 5.0699810 0.0715488 0.0000000 -0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 28 Ta 5.0699810 -0.0715488 0.0000000 0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 29 Ta 5.0699810 0.0715488 0.0000000 -0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 30 Ta 5.0699810 -0.0715488 0.0000000 0.0715488 5.0699810 -0.0000000 -0.0000000 -0.0000000 5.1537988 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000004 (xzx) -0.00000004 (xzx) -0.00000004 (xxz) Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) --------------------------- 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 ... [ 11 11 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 287, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/58) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.248 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 2.400 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.706 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.347 ( 0.000 0.000 0.000) 0.000 6.525 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 7.310 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.374 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 7.673 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.520 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 8.939 ( 0.000 0.000 0.000) 0.000 8.943 ( 0.000 0.000 0.000) 0.000 8.943 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.517 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.577 ( 0.000 0.000 0.000) 0.000 9.763 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 10.386 ( 0.000 0.000 0.000) 0.000 10.593 ( 0.000 0.000 0.000) 0.000 10.658 ( 0.000 0.000 0.000) 0.000 10.658 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 10.672 ( 0.000 0.000 0.000) 0.000 10.900 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.282 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.538 ( 0.000 0.000 0.000) 0.000 11.794 ( 0.000 0.000 0.000) 0.000 11.794 ( 0.000 0.000 0.000) 0.000 11.986 ( 0.000 0.000 0.000) 0.000 12.148 ( 0.000 0.000 0.000) 0.000 12.148 ( 0.000 0.000 0.000) 0.000 12.278 ( 0.000 0.000 0.000) 0.000 12.278 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 12.609 ( 0.000 0.000 0.000) 0.000 12.738 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 0.000 0.000) 0.000 13.655 ( 0.000 0.000 0.000) 0.000 14.199 ( 0.000 0.000 0.000) 0.000 14.199 ( 0.000 0.000 0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 14.973 ( 0.000 0.000 0.000) 0.000 17.092 ( 0.000 0.000 0.000) 0.000 17.092 ( 0.000 0.000 0.000) 0.000 17.104 ( 0.000 0.000 0.000) 0.000 17.104 ( 0.000 0.000 0.000) 0.000 18.061 ( 0.000 0.000 0.000) 0.000 18.666 ( 0.000 0.000 0.000) 0.000 18.666 ( 0.000 0.000 0.000) 0.000 18.707 ( 0.000 0.000 0.000) 0.000 18.740 ( 0.000 0.000 0.000) 0.000 18.740 ( 0.000 0.000 0.000) 0.000 18.840 ( 0.000 0.000 0.000) 0.000 20.042 ( 0.000 0.000 0.000) 0.000 20.042 ( 0.000 0.000 0.000) 0.000 20.081 ( 0.000 0.000 0.000) 0.000 20.081 ( 0.000 0.000 0.000) 0.000 20.431 ( 0.000 0.000 0.000) 0.000 22.591 ( 0.000 0.000 0.000) 0.000 23.950 ( 0.000 0.000 0.000) 0.000 24.004 ( 0.000 0.000 0.000) 0.000 24.094 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/58) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 27.030 15.606 6.102) 31.803 0.732 ( 30.788 17.776 6.394) 36.122 1.380 ( 57.027 32.925 -6.232) 66.143 2.243 ( 0.503 0.291 -22.541) 22.549 2.329 ( 8.267 4.773 17.535) 19.965 2.536 ( 9.385 5.418 22.286) 24.781 2.621 ( 15.262 8.811 -18.043) 25.221 3.423 ( -2.173 -1.255 -2.885) 3.824 3.436 ( -1.080 -0.623 2.609) 2.891 3.491 ( 1.891 1.092 0.517) 2.244 5.627 ( 2.396 1.383 0.270) 2.779 5.691 ( -1.385 -0.799 0.116) 1.603 5.782 ( -2.658 -1.534 -0.093) 3.070 6.199 ( -2.301 -1.329 -0.199) 2.664 6.344 ( -0.324 -0.187 1.601) 1.644 6.345 ( -2.622 -1.514 -2.219) 3.753 6.526 ( 0.279 0.161 0.405) 0.517 6.901 ( -3.511 -2.027 4.860) 6.329 6.941 ( -1.964 -1.134 -5.904) 6.324 7.290 ( -2.554 -1.475 1.264) 3.208 7.399 ( 1.822 1.052 -2.004) 2.906 7.403 ( 2.310 1.333 1.594) 3.107 7.728 ( 4.316 2.492 -2.784) 5.709 7.730 ( 4.923 2.842 2.388) 6.166 8.016 ( -5.488 -3.169 -0.777) 6.384 8.392 ( -11.038 -6.373 3.892) 13.327 8.679 ( -2.185 -1.262 0.268) 2.537 8.765 ( -4.999 -2.886 -6.440) 8.648 8.917 ( -6.846 -3.952 0.008) 7.905 8.923 ( -4.458 -2.574 1.489) 5.359 8.947 ( 2.317 1.338 -1.687) 3.163 9.192 ( -9.173 -5.296 2.060) 10.791 9.225 ( -10.632 -6.138 -1.543) 12.374 9.511 ( -2.867 -1.655 -12.707) 13.131 9.540 ( 1.238 0.714 21.505) 21.553 9.547 ( -1.146 -0.662 -1.057) 1.694 9.578 ( 4.022 2.322 4.051) 6.163 9.778 ( 2.234 1.290 -7.456) 7.890 9.811 ( -6.222 -3.592 -0.416) 7.196 9.947 ( 6.114 3.530 2.113) 7.369 10.245 ( -12.075 -6.972 -1.717) 14.049 10.368 ( -1.715 -0.990 -0.745) 2.116 10.605 ( -5.932 -3.425 1.071) 6.932 10.625 ( -1.384 -0.799 -4.691) 4.955 10.717 ( 1.785 1.030 2.795) 3.473 10.902 ( -4.138 -2.389 -1.448) 4.992 10.910 ( 5.254 3.033 3.982) 7.257 11.237 ( 3.256 1.880 -1.396) 4.010 11.263 ( 1.302 0.752 -0.158) 1.512 11.337 ( 6.132 3.540 -0.473) 7.096 11.443 ( 8.247 4.761 0.310) 9.527 11.607 ( 0.313 0.181 -2.246) 2.275 11.626 ( -8.036 -4.639 -1.526) 9.404 11.679 ( 6.066 3.502 3.898) 8.016 11.797 ( 2.786 1.609 1.533) 3.564 11.857 ( -6.655 -3.842 -3.430) 8.416 12.176 ( 1.953 1.128 1.357) 2.632 12.263 ( -0.789 -0.456 -2.151) 2.336 12.526 ( -1.329 -0.768 0.134) 1.541 12.536 ( 0.400 0.231 0.140) 0.482 12.699 ( 19.583 11.306 0.060) 22.613 12.824 ( 6.476 3.739 2.791) 7.981 13.155 ( -4.399 -2.540 1.127) 5.203 13.391 ( 4.320 2.494 0.791) 5.050 13.627 ( -2.464 -1.422 0.550) 2.897 13.951 ( -17.499 -10.103 -1.871) 20.292 14.229 ( 2.352 1.358 0.407) 2.747 14.265 ( 2.008 1.159 -0.175) 2.325 15.312 ( 21.499 12.413 0.945) 24.843 16.021 ( -0.157 -0.090 -0.703) 0.726 17.011 ( -6.647 -3.838 -2.795) 8.169 17.064 ( -2.403 -1.388 -0.256) 2.787 17.080 ( -1.958 -1.130 -0.121) 2.264 17.094 ( -1.551 -0.895 0.326) 1.820 17.946 ( -9.434 -5.447 0.565) 10.908 18.065 ( -37.587 -21.701 0.599) 43.406 18.651 ( -3.241 -1.871 0.849) 3.837 18.713 ( -7.974 -4.604 0.081) 9.207 18.735 ( 3.089 1.784 -1.518) 3.877 18.768 ( 1.849 1.068 0.441) 2.181 20.059 ( 1.097 0.634 0.147) 1.276 20.078 ( 0.429 0.248 -0.102) 0.506 20.147 ( 7.574 4.373 1.354) 8.850 20.160 ( 6.219 3.591 -1.174) 7.277 21.003 ( 34.985 20.199 0.267) 40.398 22.631 ( 3.226 1.862 0.036) 3.725 23.436 ( -2.248 -1.298 -0.262) 2.609 23.916 ( -2.459 -1.420 0.221) 2.848 23.950 ( -4.658 -2.689 -0.200) 5.382 24.073 ( -1.784 -1.030 0.014) 2.059 ======================= Grid point 2 (3/58) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 25.705 14.841 5.573) 30.200 1.434 ( 28.861 16.663 6.441) 33.943 2.313 ( 5.439 3.140 -19.219) 20.219 2.599 ( 13.069 7.546 9.671) 17.924 2.626 ( 47.205 27.254 -6.400) 54.882 2.790 ( 12.217 7.054 19.323) 23.925 3.008 ( 16.495 9.523 -14.562) 23.975 3.363 ( -2.667 -1.540 -5.201) 6.044 3.414 ( -0.342 -0.198 4.277) 4.295 3.548 ( 2.515 1.452 3.562) 4.596 5.634 ( -3.594 -2.075 -0.557) 4.187 5.706 ( 3.922 2.264 2.155) 5.015 5.710 ( -2.913 -1.682 0.921) 3.487 6.120 ( -4.550 -2.627 1.485) 5.459 6.251 ( -5.035 -2.907 -3.067) 6.574 6.345 ( 1.066 0.615 -4.111) 4.291 6.536 ( 0.038 0.022 4.553) 4.553 6.793 ( -5.538 -3.197 4.723) 7.950 6.885 ( -3.378 -1.950 -7.631) 8.570 7.187 ( -6.135 -3.542 4.895) 8.611 7.449 ( 2.127 1.228 -1.683) 2.977 7.457 ( 2.035 1.175 -1.416) 2.743 7.766 ( -6.694 -3.865 -1.859) 7.949 7.891 ( 7.777 4.490 0.955) 9.031 7.926 ( 3.058 1.765 -6.515) 7.410 8.048 ( -16.204 -9.356 4.314) 19.202 8.601 ( -5.432 -3.136 4.137) 7.514 8.648 ( -6.137 -3.543 -5.326) 8.865 8.682 ( -7.241 -4.181 -2.192) 8.644 8.729 ( -10.762 -6.214 2.966) 12.776 8.903 ( -14.780 -8.533 -4.462) 17.640 8.975 ( -8.859 -5.115 6.415) 12.075 9.033 ( 2.290 1.322 -1.043) 2.843 9.461 ( -1.933 -1.116 -4.253) 4.803 9.556 ( -0.183 -0.106 16.791) 16.793 9.569 ( -9.658 -5.576 -2.002) 11.331 9.578 ( 1.591 0.918 -0.358) 1.871 9.685 ( 4.900 2.829 5.252) 7.720 9.861 ( 2.822 1.629 -7.237) 7.937 9.942 ( -12.221 -7.056 -1.849) 14.233 10.106 ( 7.887 4.553 -2.035) 9.331 10.448 ( -5.715 -3.300 6.021) 8.933 10.495 ( 8.617 4.975 -3.035) 10.403 10.630 ( 0.631 0.364 -7.610) 7.645 10.706 ( -1.796 -1.037 0.482) 2.129 10.801 ( -1.364 -0.788 -2.817) 3.228 10.895 ( -4.564 -2.635 8.089) 9.654 11.169 ( -8.513 -4.915 -4.235) 10.703 11.336 ( 3.075 1.776 0.296) 3.564 11.467 ( 4.412 2.547 -1.727) 5.379 11.603 ( -0.812 -0.469 3.678) 3.795 11.615 ( 5.045 2.913 1.282) 5.965 11.671 ( -6.756 -3.901 -3.492) 8.547 11.688 ( -1.272 -0.734 -1.754) 2.288 11.739 ( 11.766 6.793 0.626) 13.601 11.990 ( 8.640 4.988 1.212) 10.050 12.223 ( 2.467 1.424 1.688) 3.311 12.260 ( 0.883 0.510 -1.193) 1.570 12.430 ( -4.194 -2.422 -0.024) 4.843 12.542 ( -0.345 -0.199 1.367) 1.424 13.006 ( 7.108 4.104 -2.006) 8.449 13.083 ( 0.395 0.228 1.712) 1.772 13.144 ( 13.257 7.654 1.669) 15.398 13.482 ( 3.401 1.964 3.093) 4.999 13.492 ( -10.967 -6.332 2.218) 12.856 13.649 ( -3.155 -1.821 -6.758) 7.677 14.308 ( 4.326 2.498 0.206) 4.999 14.330 ( 3.340 1.928 -0.138) 3.859 15.780 ( 15.364 8.871 1.738) 17.826 15.994 ( -2.694 -1.556 -1.666) 3.529 16.786 ( -12.465 -7.196 -1.621) 14.484 16.845 ( -21.175 -12.225 0.836) 24.465 17.024 ( -2.372 -1.369 1.528) 3.136 17.025 ( -2.336 -1.349 -0.631) 2.770 17.428 ( -10.326 -5.962 -0.098) 11.924 17.682 ( -11.183 -6.456 -0.536) 12.924 18.446 ( -12.675 -7.318 -0.199) 14.638 18.539 ( -6.152 -3.552 0.351) 7.113 18.859 ( 7.192 4.152 -1.088) 8.375 18.886 ( 7.235 4.177 0.832) 8.396 20.076 ( -0.688 -0.397 -0.518) 0.949 20.087 ( 1.039 0.600 0.620) 1.350 20.349 ( 9.485 5.476 -2.558) 11.248 20.380 ( 11.557 6.672 2.531) 13.582 21.741 ( 26.040 15.034 0.542) 30.073 22.728 ( 4.698 2.712 0.006) 5.424 23.356 ( -4.505 -2.601 -0.714) 5.251 23.783 ( -9.486 -5.476 0.917) 10.991 23.859 ( -2.034 -1.174 -0.764) 2.469 24.014 ( -3.130 -1.807 0.088) 3.615 ======================= Grid point 3 (4/58) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 23.596 13.623 4.434) 27.604 2.074 ( 25.381 14.654 6.434) 30.005 2.485 ( 8.833 5.100 -13.045) 16.560 2.882 ( 10.322 5.960 2.898) 12.267 3.042 ( 10.053 5.804 13.329) 17.675 3.302 ( -0.809 -0.467 -7.590) 7.648 3.359 ( 3.322 1.918 -1.809) 4.241 3.374 ( 12.657 7.307 -13.292) 19.755 3.592 ( 1.287 0.743 8.961) 9.083 3.643 ( 29.023 16.757 1.073) 33.530 5.517 ( -6.199 -3.579 -3.443) 7.943 5.678 ( 0.850 0.491 4.052) 4.169 5.776 ( 0.938 0.542 4.312) 4.446 5.979 ( -7.235 -4.177 2.638) 8.761 6.130 ( -4.849 -2.800 -2.478) 6.123 6.397 ( 2.537 1.465 -6.970) 7.561 6.477 ( -6.748 -3.896 8.304) 11.388 6.683 ( -1.617 -0.934 -2.960) 3.500 6.752 ( -8.256 -4.766 -9.444) 13.419 6.995 ( -10.667 -6.159 8.263) 14.832 7.398 ( -8.512 -4.914 2.195) 10.070 7.487 ( 0.188 0.109 -1.926) 1.938 7.656 ( 3.243 1.872 -5.579) 6.719 7.658 ( -13.104 -7.566 0.265) 15.134 8.039 ( 3.878 2.239 -1.296) 4.662 8.127 ( 9.898 5.714 -0.101) 11.429 8.394 ( -13.588 -7.845 0.792) 15.711 8.467 ( -4.604 -2.658 5.167) 7.413 8.512 ( -7.818 -4.514 -5.202) 10.419 8.592 ( -2.822 -1.629 -3.476) 4.765 8.642 ( -6.718 -3.879 -0.244) 7.761 8.792 ( -3.903 -2.254 8.219) 9.374 9.064 ( -0.458 -0.264 -1.754) 1.832 9.381 ( -4.570 -2.638 -5.992) 7.984 9.388 ( -4.768 -2.753 0.916) 5.581 9.539 ( -0.951 -0.549 10.657) 10.713 9.560 ( -7.753 -4.476 -1.681) 9.109 9.777 ( 1.467 0.847 2.487) 3.010 9.792 ( 2.345 1.354 0.316) 2.726 9.866 ( -0.022 -0.013 0.806) 0.807 10.268 ( 1.440 0.831 -2.805) 3.261 10.429 ( 5.674 3.276 -0.888) 6.611 10.558 ( -6.006 -3.468 4.904) 8.494 10.651 ( -6.181 -3.569 0.002) 7.137 10.666 ( 4.224 2.439 -4.373) 6.551 10.842 ( 6.396 3.693 -0.684) 7.417 10.854 ( 4.621 2.668 -0.617) 5.372 10.983 ( -7.339 -4.237 -3.335) 9.107 11.342 ( -2.229 -1.287 0.900) 2.727 11.478 ( -7.202 -4.158 -0.797) 8.355 11.550 ( 2.266 1.308 -3.983) 4.765 11.567 ( -1.879 -1.085 3.562) 4.171 11.689 ( -0.025 -0.015 -1.742) 1.742 11.703 ( 2.689 1.553 -1.916) 3.649 12.017 ( 10.840 6.258 5.018) 13.485 12.106 ( 1.268 0.732 -2.245) 2.680 12.273 ( 0.718 0.415 1.658) 1.854 12.298 ( 0.532 0.307 2.653) 2.723 12.415 ( 4.011 2.316 -1.324) 4.817 12.524 ( 0.453 0.262 1.538) 1.624 13.024 ( -0.434 -0.250 1.524) 1.605 13.170 ( -7.960 -4.596 -0.213) 9.194 13.296 ( 11.540 6.663 -7.476) 15.279 13.301 ( -4.069 -2.349 1.537) 4.943 13.551 ( 2.560 1.478 5.686) 6.408 13.759 ( 8.416 4.859 -2.579) 10.054 14.415 ( 3.803 2.195 0.098) 4.392 14.428 ( 5.758 3.324 -0.365) 6.659 15.873 ( -7.788 -4.496 -3.117) 9.517 15.880 ( -8.252 -4.765 2.991) 9.987 16.377 ( -13.427 -7.752 -2.998) 15.791 16.450 ( -15.062 -8.696 3.288) 17.700 16.990 ( -0.353 -0.204 -0.996) 1.076 17.015 ( 1.793 1.035 1.809) 2.749 17.387 ( 2.536 1.464 2.467) 3.828 17.482 ( -5.469 -3.157 -2.811) 6.912 18.168 ( -10.296 -5.944 -0.815) 11.916 18.374 ( -7.599 -4.387 -0.039) 8.775 19.054 ( 9.108 5.258 -0.306) 10.521 19.101 ( 10.839 6.258 0.706) 12.536 20.038 ( -2.753 -1.589 -0.855) 3.292 20.095 ( -0.636 -0.367 1.057) 1.287 20.589 ( 10.637 6.141 -3.368) 12.736 20.666 ( 12.310 7.107 3.048) 14.537 22.215 ( 14.903 8.604 0.750) 17.225 22.837 ( 4.293 2.479 0.027) 4.958 23.229 ( -6.197 -3.578 -1.337) 7.280 23.513 ( -13.161 -7.599 0.832) 15.220 23.831 ( -0.425 -0.246 -0.423) 0.648 23.932 ( -3.617 -2.088 0.186) 4.180 ======================= Grid point 4 (5/58) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.359 ( 20.016 11.556 3.039) 23.312 2.609 ( 19.776 11.418 6.131) 23.644 2.707 ( 9.671 5.584 -7.670) 13.548 3.065 ( 5.102 2.945 0.753) 5.939 3.233 ( 5.619 3.244 6.741) 9.356 3.282 ( -0.430 -0.248 -7.244) 7.261 3.361 ( -1.608 -0.929 1.592) 2.446 3.559 ( 1.822 1.052 -5.796) 6.166 3.691 ( 7.796 4.501 2.973) 9.480 4.146 ( 12.287 7.094 0.581) 14.200 5.363 ( -6.327 -3.653 -4.571) 8.619 5.664 ( -10.107 -5.835 6.049) 13.145 5.766 ( 6.287 3.630 4.547) 8.566 5.845 ( -3.687 -2.129 -1.473) 4.505 6.040 ( -2.548 -1.471 -0.350) 2.963 6.260 ( -9.328 -5.385 2.810) 11.131 6.437 ( 1.119 0.646 0.857) 1.551 6.507 ( -11.938 -6.893 -10.731) 17.470 6.689 ( -14.067 -8.122 7.517) 17.898 6.729 ( 4.225 2.440 -8.487) 9.790 7.196 ( -7.720 -4.457 4.954) 10.198 7.464 ( -1.600 -0.924 -2.500) 3.108 7.496 ( -1.100 -0.635 1.719) 2.137 7.800 ( 5.971 3.448 -4.517) 8.243 8.084 ( 1.250 0.722 9.229) 9.341 8.089 ( -11.320 -6.535 0.281) 13.074 8.280 ( 1.173 0.678 -9.466) 9.563 8.380 ( -1.920 -1.108 1.197) 2.519 8.449 ( 0.667 0.385 2.528) 2.643 8.563 ( 3.055 1.764 1.907) 4.010 8.596 ( 3.637 2.100 -9.774) 10.638 8.775 ( 0.630 0.364 8.383) 8.414 9.034 ( -1.897 -1.095 -1.633) 2.732 9.239 ( -7.646 -4.415 4.267) 9.806 9.241 ( -9.153 -5.285 -7.099) 12.732 9.444 ( 1.175 0.678 -0.911) 1.634 9.523 ( -0.294 -0.170 4.893) 4.905 9.775 ( 0.133 0.077 -1.125) 1.135 9.891 ( 4.010 2.315 0.225) 4.636 9.893 ( 1.240 0.716 6.291) 6.452 10.199 ( -5.384 -3.108 -3.597) 7.182 10.245 ( -15.750 -9.093 4.484) 18.731 10.546 ( 1.825 1.054 -3.571) 4.146 10.619 ( 0.630 0.364 1.632) 1.787 10.815 ( -5.830 -3.366 -5.584) 8.747 10.824 ( 6.228 3.596 0.227) 7.195 11.002 ( 5.426 3.133 1.437) 6.428 11.011 ( 9.553 5.516 -1.063) 11.082 11.310 ( 1.532 0.884 -0.304) 1.795 11.329 ( -6.115 -3.531 0.154) 7.063 11.529 ( -1.241 -0.717 4.281) 4.515 11.571 ( 0.019 0.011 -1.373) 1.374 11.668 ( -0.686 -0.396 -2.516) 2.637 11.770 ( 1.545 0.892 -3.233) 3.693 12.090 ( -1.768 -1.021 -3.880) 4.384 12.210 ( -6.576 -3.796 3.957) 8.562 12.230 ( 6.555 3.785 2.511) 7.975 12.320 ( 4.327 2.498 0.914) 5.079 12.516 ( 2.731 1.577 0.750) 3.242 12.616 ( 6.030 3.482 1.442) 7.111 12.982 ( -7.110 -4.105 -0.754) 8.245 13.015 ( -0.792 -0.457 0.505) 1.044 13.242 ( -0.568 -0.328 -0.208) 0.688 13.525 ( 7.062 4.077 -2.408) 8.503 13.611 ( 2.772 1.600 0.729) 3.282 13.905 ( 3.333 1.924 0.667) 3.905 14.506 ( 3.930 2.269 0.033) 4.539 14.571 ( 6.124 3.535 -0.683) 7.104 15.606 ( -10.522 -6.075 1.773) 12.279 15.649 ( -10.206 -5.892 -1.918) 11.940 16.122 ( -10.382 -5.994 -3.235) 12.417 16.134 ( -11.116 -6.418 4.131) 13.484 17.011 ( 1.947 1.124 -0.774) 2.378 17.073 ( 2.211 1.277 0.868) 2.697 17.409 ( -1.367 -0.789 -3.101) 3.480 17.475 ( 4.191 2.420 3.602) 6.033 17.980 ( -5.664 -3.270 -1.387) 6.686 18.199 ( -6.909 -3.989 0.074) 7.979 19.274 ( 9.370 5.410 0.277) 10.823 19.377 ( 12.181 7.033 0.227) 14.067 19.945 ( -5.055 -2.918 -1.012) 5.924 20.045 ( -3.743 -2.161 1.231) 4.494 20.829 ( 9.321 5.382 -3.128) 11.208 20.935 ( 10.093 5.827 2.684) 11.960 22.478 ( 8.412 4.856 0.778) 9.744 22.921 ( 2.802 1.618 0.369) 3.256 23.080 ( -6.031 -3.482 -1.865) 7.209 23.190 ( -13.610 -7.858 0.772) 15.734 23.833 ( 0.408 0.236 -0.213) 0.518 23.853 ( -2.934 -1.694 0.202) 3.394 ======================= Grid point 5 (6/58) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 8.705 5.026 1.616) 10.180 2.942 ( 11.158 6.442 -4.431) 13.625 2.977 ( 10.996 6.348 4.412) 13.442 3.116 ( -1.113 -0.642 -0.922) 1.581 3.205 ( -8.150 -4.705 1.985) 9.618 3.271 ( -0.466 -0.269 -3.317) 3.360 3.358 ( 1.367 0.789 2.142) 2.661 3.585 ( 0.789 0.455 -0.713) 1.157 3.821 ( 2.625 1.515 -0.966) 3.181 4.288 ( 1.890 1.091 0.873) 2.351 5.251 ( -2.714 -1.567 -2.421) 3.961 5.451 ( -5.660 -3.268 2.331) 6.939 5.771 ( -2.136 -1.233 -0.855) 2.611 5.912 ( 3.813 2.201 1.308) 4.593 6.039 ( 4.037 2.331 6.497) 7.996 6.099 ( -3.768 -2.176 0.534) 4.384 6.234 ( -10.494 -6.059 -10.623) 16.115 6.426 ( -6.636 -3.831 3.080) 8.258 6.458 ( 0.509 0.294 1.395) 1.513 6.849 ( 5.404 3.120 -8.990) 10.943 7.030 ( -6.289 -3.631 7.684) 10.572 7.429 ( -0.984 -0.568 -0.835) 1.410 7.532 ( 2.084 1.203 0.755) 2.522 7.858 ( 0.033 0.019 -0.557) 0.559 7.895 ( -4.500 -2.598 -0.190) 5.200 8.134 ( 1.552 0.896 3.159) 3.632 8.296 ( 0.900 0.520 -5.650) 5.745 8.399 ( -2.369 -1.367 3.643) 4.555 8.417 ( 4.051 2.339 1.124) 4.811 8.713 ( 5.044 2.912 -7.030) 9.129 8.777 ( -0.581 -0.336 4.489) 4.539 8.780 ( 11.210 6.472 -0.977) 12.981 8.928 ( -7.001 -4.042 -1.871) 8.298 9.035 ( -9.698 -5.599 3.393) 11.701 9.088 ( -2.218 -1.280 -0.522) 2.613 9.523 ( 0.103 0.060 1.486) 1.491 9.549 ( 6.159 3.556 -3.165) 7.784 9.794 ( 0.908 0.524 -1.232) 1.618 9.907 ( -10.650 -6.149 3.543) 12.798 9.935 ( 3.117 1.800 8.237) 8.989 9.954 ( 0.555 0.320 0.375) 0.743 10.053 ( -6.370 -3.678 -6.773) 9.999 10.532 ( -1.447 -0.835 -1.050) 1.973 10.598 ( -1.812 -1.046 0.766) 2.228 10.775 ( 1.299 0.750 -2.729) 3.114 10.904 ( 1.330 0.768 1.124) 1.904 11.094 ( 2.926 1.689 1.036) 3.533 11.190 ( -5.117 -2.954 0.508) 5.931 11.246 ( 7.700 4.445 -1.973) 9.107 11.419 ( 5.516 3.185 -3.379) 7.210 11.508 ( -0.408 -0.235 8.658) 8.671 11.574 ( 0.196 0.113 -0.523) 0.570 11.660 ( -0.127 -0.073 -0.751) 0.765 11.725 ( -4.584 -2.647 -5.245) 7.452 12.051 ( -1.939 -1.120 -5.344) 5.794 12.081 ( -2.351 -1.358 5.947) 6.537 12.337 ( 2.887 1.667 -2.390) 4.102 12.435 ( 4.237 2.446 2.688) 5.582 12.515 ( -2.426 -1.401 1.637) 3.245 12.747 ( 4.073 2.352 0.747) 4.762 12.862 ( -2.660 -1.536 -0.704) 3.151 12.978 ( -1.881 -1.086 -0.217) 2.183 13.261 ( 1.182 0.683 -0.686) 1.528 13.623 ( 2.011 1.161 8.067) 8.395 13.670 ( 1.424 0.822 -8.575) 8.732 13.932 ( -0.130 -0.075 0.837) 0.850 14.585 ( 2.163 1.249 -0.153) 2.502 14.690 ( 3.240 1.871 -0.386) 3.761 15.448 ( -3.087 -1.783 0.308) 3.578 15.460 ( -4.705 -2.716 0.035) 5.433 15.917 ( -5.510 -3.181 -1.040) 6.446 15.949 ( -4.272 -2.466 1.347) 5.113 17.059 ( 1.455 0.840 -0.321) 1.710 17.105 ( 0.612 0.353 0.358) 0.792 17.395 ( -0.126 -0.073 -1.278) 1.287 17.550 ( 1.777 1.026 1.445) 2.510 17.896 ( -1.657 -0.957 -0.706) 2.040 18.075 ( -3.039 -1.755 0.114) 3.511 19.470 ( 6.208 3.584 0.434) 7.181 19.642 ( 9.366 5.407 -0.309) 10.819 19.818 ( -4.704 -2.716 -0.690) 5.475 19.922 ( -6.116 -3.531 0.880) 7.117 20.995 ( 4.014 2.317 -1.356) 4.829 21.109 ( 4.109 2.372 1.127) 4.877 22.643 ( 5.796 3.346 0.424) 6.706 22.911 ( -9.041 -5.220 0.298) 10.443 22.959 ( -0.506 -0.292 2.048) 2.130 22.977 ( -1.229 -0.709 -2.759) 3.102 23.804 ( -1.137 -0.656 0.087) 1.315 23.842 ( 0.262 0.151 -0.059) 0.308 ======================= Grid point 12 (7/58) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 13.817 23.931 0.000) 27.634 1.337 ( 18.158 31.450 0.000) 36.316 2.307 ( 28.339 49.085 0.000) 56.679 2.352 ( 4.925 8.531 0.000) 9.850 2.426 ( 5.313 9.203 0.000) 10.627 2.730 ( 6.609 11.448 0.000) 13.219 2.912 ( 10.092 17.480 0.000) 20.184 3.379 ( -1.666 -2.886 0.000) 3.333 3.418 ( -0.360 -0.623 0.000) 0.720 3.532 ( 1.505 2.607 0.000) 3.010 5.655 ( -1.629 -2.821 0.000) 3.257 5.681 ( 2.108 3.652 0.000) 4.217 5.730 ( -1.769 -3.065 0.000) 3.539 6.146 ( -2.302 -3.988 0.000) 4.605 6.282 ( -2.657 -4.602 0.000) 5.314 6.341 ( 0.168 0.291 0.000) 0.336 6.529 ( -0.064 -0.111 0.000) 0.128 6.834 ( -2.644 -4.579 0.000) 5.288 6.894 ( -1.976 -3.423 0.000) 3.952 7.226 ( -2.420 -4.192 0.000) 4.841 7.336 ( -1.389 -2.405 0.000) 2.777 7.548 ( 4.344 7.525 0.000) 8.689 7.797 ( 2.517 4.359 0.000) 5.034 7.869 ( 5.268 9.125 0.000) 10.536 7.882 ( -5.756 -9.969 0.000) 11.512 8.152 ( -9.121 -15.799 0.000) 18.243 8.648 ( -3.850 -6.669 0.000) 7.700 8.656 ( -3.545 -6.141 0.000) 7.091 8.756 ( -4.328 -7.496 0.000) 8.656 8.796 ( -5.601 -9.702 0.000) 11.203 8.937 ( -3.190 -5.525 0.000) 6.380 9.011 ( -2.209 -3.826 0.000) 4.417 9.081 ( -5.798 -10.043 0.000) 11.597 9.475 ( -1.919 -3.324 0.000) 3.838 9.482 ( -0.547 -0.947 0.000) 1.094 9.631 ( 0.451 0.781 0.000) 0.901 9.651 ( -1.013 -1.754 0.000) 2.025 9.708 ( -3.667 -6.352 0.000) 7.334 9.746 ( 1.609 2.788 0.000) 3.219 9.963 ( 1.364 2.362 0.000) 2.728 10.271 ( 0.985 1.706 0.000) 1.970 10.284 ( 1.275 2.209 0.000) 2.550 10.557 ( -2.437 -4.221 0.000) 4.874 10.558 ( -2.156 -3.734 0.000) 4.311 10.735 ( 0.268 0.464 0.000) 0.536 10.920 ( 1.127 1.951 0.000) 2.253 10.934 ( 0.098 0.170 0.000) 0.197 11.095 ( -2.324 -4.025 0.000) 4.648 11.252 ( -6.283 -10.882 0.000) 12.566 11.441 ( 3.570 6.184 0.000) 7.140 11.582 ( -1.183 -2.049 0.000) 2.366 11.632 ( 6.660 11.535 0.000) 13.319 11.668 ( -1.303 -2.258 0.000) 2.607 11.682 ( 4.752 8.231 0.000) 9.504 11.852 ( -0.576 -0.998 0.000) 1.152 11.908 ( 3.892 6.741 0.000) 7.784 12.129 ( 0.686 1.188 0.000) 1.372 12.272 ( 0.342 0.592 0.000) 0.684 12.511 ( 0.247 0.429 0.000) 0.495 12.527 ( -0.782 -1.355 0.000) 1.565 12.971 ( 5.061 8.766 0.000) 10.122 12.997 ( 4.352 7.537 0.000) 8.703 13.129 ( 4.152 7.191 0.000) 8.303 13.438 ( 0.186 0.321 0.000) 0.371 13.572 ( -2.344 -4.059 0.000) 4.687 13.681 ( -6.858 -11.878 0.000) 13.715 14.265 ( 1.893 3.279 0.000) 3.786 14.314 ( 1.561 2.704 0.000) 3.122 15.657 ( 9.701 16.802 0.000) 19.402 16.038 ( 0.948 1.642 0.000) 1.896 16.813 ( -7.973 -13.809 0.000) 15.946 16.973 ( -9.278 -16.070 0.000) 18.556 17.025 ( -1.605 -2.780 0.000) 3.210 17.082 ( 0.070 0.122 0.000) 0.141 17.466 ( -11.225 -19.442 0.000) 22.449 17.843 ( -5.937 -10.282 0.000) 11.873 18.528 ( -7.346 -12.723 0.000) 14.691 18.574 ( -3.162 -5.477 0.000) 6.325 18.771 ( 1.893 3.278 0.000) 3.785 18.820 ( 2.779 4.813 0.000) 5.558 20.054 ( -0.667 -1.154 0.000) 1.333 20.067 ( 0.394 0.683 0.000) 0.789 20.327 ( 6.446 11.165 0.000) 12.892 20.347 ( 7.429 12.867 0.000) 14.857 21.561 ( 16.674 28.880 0.000) 33.348 22.700 ( 2.641 4.574 0.000) 5.281 23.380 ( -2.434 -4.217 0.000) 4.869 23.839 ( -4.742 -8.213 0.000) 9.483 23.873 ( -1.360 -2.355 0.000) 2.720 24.032 ( -1.647 -2.853 0.000) 3.294 ======================= Grid point 13 (8/58) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 21.938 16.209 2.963) 27.437 1.953 ( 17.262 27.924 3.350) 32.999 2.480 ( 1.876 11.691 -12.714) 17.374 2.705 ( 14.492 5.171 8.395) 17.528 2.958 ( 7.308 8.802 6.691) 13.253 3.194 ( 15.590 14.575 -5.628) 22.072 3.288 ( 10.605 13.754 -5.041) 18.085 3.362 ( 6.459 11.406 -6.433) 14.601 3.433 ( 6.110 4.665 5.820) 9.642 3.580 ( 1.197 1.340 3.739) 4.148 5.572 ( -4.025 -3.851 -1.496) 5.768 5.669 ( -0.839 -2.140 1.859) 2.957 5.761 ( 1.946 2.376 1.924) 3.624 6.036 ( -4.732 -5.674 1.672) 7.575 6.174 ( -4.105 -4.008 -1.847) 6.027 6.357 ( 1.362 -0.921 -4.192) 4.503 6.487 ( -2.939 -6.294 4.600) 8.332 6.731 ( -4.807 -1.848 2.277) 5.631 6.791 ( -2.656 -6.885 -6.950) 10.137 7.139 ( -6.062 0.525 4.943) 7.839 7.307 ( 3.051 -6.351 -0.983) 7.114 7.589 ( -10.181 -9.486 -0.472) 13.923 7.687 ( -0.253 6.960 -2.727) 7.479 7.776 ( -12.156 -13.901 0.685) 18.479 7.929 ( 7.020 -0.094 -2.246) 7.371 8.080 ( 6.614 10.211 0.334) 12.171 8.449 ( -5.524 -10.551 -0.629) 11.926 8.472 ( -7.138 -11.044 2.013) 13.303 8.631 ( -5.785 -2.412 0.434) 6.282 8.674 ( -3.656 0.096 -1.811) 4.081 8.738 ( -7.052 -5.112 -2.101) 8.960 8.872 ( -7.448 -4.395 5.413) 10.203 9.032 ( 2.241 -0.976 -0.719) 2.548 9.322 ( -4.249 -14.316 -2.545) 15.149 9.445 ( -1.411 -4.411 4.115) 6.195 9.467 ( -5.901 -2.710 -0.241) 6.498 9.650 ( 4.959 -7.269 1.548) 8.934 9.693 ( -0.477 2.474 -0.601) 2.590 9.874 ( -0.513 12.123 4.222) 12.847 10.042 ( -1.326 5.328 -5.406) 7.705 10.203 ( -3.812 4.350 1.600) 6.001 10.415 ( 2.495 0.132 0.884) 2.650 10.496 ( 3.281 -1.902 -0.867) 3.890 10.575 ( 6.935 -3.067 -2.884) 8.113 10.709 ( -2.236 -0.685 0.215) 2.348 10.897 ( -9.353 2.137 4.480) 10.589 10.928 ( -2.752 9.060 -0.938) 9.515 11.013 ( -1.925 -7.787 -2.448) 8.386 11.176 ( 11.011 -8.339 -2.074) 13.968 11.469 ( -3.074 -7.206 2.306) 8.166 11.560 ( 2.838 3.343 -5.194) 6.797 11.586 ( -2.290 -4.630 1.794) 5.468 11.742 ( -6.164 5.505 -0.559) 8.283 11.810 ( -4.106 7.741 0.054) 8.763 11.901 ( 8.757 5.079 1.682) 10.263 12.016 ( 7.092 -4.539 -0.604) 8.441 12.232 ( 3.490 4.001 0.318) 5.319 12.303 ( 0.759 4.000 2.292) 4.672 12.486 ( -3.116 7.845 1.746) 8.620 12.584 ( 1.344 4.030 -1.778) 4.606 12.993 ( 0.995 -3.753 0.751) 3.955 13.155 ( 6.675 5.343 -2.673) 8.958 13.255 ( -4.085 -2.681 -1.105) 5.010 13.386 ( -4.237 1.840 4.178) 6.228 13.503 ( 2.975 -1.951 0.607) 3.609 13.660 ( 6.396 4.102 -2.451) 7.984 14.351 ( 4.260 2.061 -0.263) 4.740 14.382 ( 3.228 3.039 0.225) 4.439 15.839 ( 2.244 -2.998 -1.855) 4.179 16.037 ( -9.275 1.519 3.518) 10.035 16.394 ( -9.253 -27.502 -3.027) 29.174 16.580 ( -12.677 -12.255 1.085) 17.665 16.999 ( 0.913 0.781 1.307) 1.775 17.084 ( -2.960 5.896 -1.414) 6.747 17.352 ( 2.501 -0.406 1.963) 3.205 17.610 ( -10.272 -3.862 -1.440) 11.068 18.256 ( -8.769 -10.457 -0.299) 13.651 18.436 ( -5.459 -6.359 -0.007) 8.381 18.895 ( 9.106 1.339 -0.219) 9.206 18.967 ( 8.508 4.403 0.370) 9.587 20.019 ( -1.094 -2.626 -0.518) 2.892 20.087 ( 1.351 -1.585 0.608) 2.169 20.574 ( 6.208 15.143 -1.461) 16.432 20.636 ( 7.872 16.174 1.328) 18.037 22.062 ( 14.196 14.728 0.386) 20.459 22.802 ( 3.482 4.322 0.011) 5.550 23.267 ( -4.237 -6.113 -0.614) 7.463 23.619 ( -9.194 -10.498 0.442) 13.961 23.835 ( -0.803 -1.056 -0.271) 1.354 23.962 ( -2.671 -3.133 0.081) 4.118 ======================= Grid point 14 (9/58) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( 22.466 12.210 3.187) 25.768 2.495 ( 14.460 22.319 4.526) 26.976 2.658 ( 5.159 10.782 -8.691) 14.778 2.976 ( 9.872 4.233 2.168) 10.958 3.150 ( 6.265 4.132 7.410) 10.547 3.246 ( 0.758 -3.189 -4.425) 5.507 3.419 ( -1.508 3.241 -1.058) 3.728 3.537 ( 5.246 6.719 -12.505) 15.134 3.617 ( 4.388 2.816 10.318) 11.560 3.975 ( 16.963 13.205 -0.133) 21.498 5.440 ( -6.091 -3.664 -3.469) 7.909 5.678 ( 3.658 -1.498 3.244) 5.114 5.755 ( -4.027 -3.020 4.054) 6.463 5.874 ( -5.067 -5.665 2.628) 8.042 6.071 ( -4.032 -2.013 -4.028) 6.045 6.248 ( -5.647 -17.039 0.825) 17.970 6.374 ( 1.133 -4.699 2.238) 5.327 6.563 ( -6.253 -10.342 -6.231) 13.597 6.766 ( -0.453 3.784 -5.383) 6.596 6.942 ( -16.682 -2.096 6.969) 18.201 7.273 ( -4.091 -2.378 2.507) 5.355 7.392 ( 2.781 -8.956 -3.115) 9.882 7.514 ( -3.485 -4.660 0.624) 5.853 7.762 ( 0.835 6.040 -2.517) 6.596 8.065 ( 4.891 1.511 -2.062) 5.519 8.201 ( -7.720 -8.451 -4.410) 12.267 8.270 ( 3.010 -1.108 12.361) 12.770 8.326 ( 0.525 1.283 -5.145) 5.328 8.491 ( -5.687 -0.824 -0.926) 5.820 8.599 ( -5.649 -0.297 0.202) 5.661 8.663 ( -1.717 7.048 -3.928) 8.249 8.798 ( -0.799 2.463 6.336) 6.844 9.019 ( -0.564 -3.997 0.579) 4.078 9.138 ( 0.042 -14.927 -5.314) 15.845 9.327 ( -6.476 -4.279 4.095) 8.776 9.392 ( 1.954 -4.538 0.256) 4.948 9.645 ( -2.306 2.729 2.818) 4.550 9.749 ( 6.947 -4.490 -3.981) 9.180 9.941 ( -7.028 12.654 2.513) 14.692 9.989 ( -7.752 7.765 3.288) 11.454 10.177 ( -1.507 -6.181 -2.691) 6.908 10.421 ( -11.503 -8.095 3.167) 14.419 10.478 ( 2.731 0.313 0.558) 2.805 10.652 ( 8.603 2.804 -4.873) 10.277 10.754 ( 6.228 1.679 0.667) 6.485 10.852 ( -0.228 3.502 -2.377) 4.239 10.917 ( -3.141 -0.317 2.028) 3.752 11.019 ( 2.209 7.593 -0.882) 7.957 11.247 ( 3.274 -4.379 -1.965) 5.810 11.374 ( -0.981 -4.206 0.187) 4.322 11.506 ( -0.502 -4.762 2.148) 5.249 11.589 ( -2.558 2.519 -2.049) 4.133 11.694 ( -1.532 0.970 -1.821) 2.570 11.820 ( -3.360 6.290 -0.319) 7.139 12.050 ( 6.296 -6.760 1.303) 9.329 12.073 ( 4.684 -0.478 -1.871) 5.066 12.295 ( 1.555 2.355 0.250) 2.833 12.347 ( -2.701 8.083 5.180) 9.973 12.579 ( 1.220 9.686 2.688) 10.126 12.618 ( -2.895 6.304 -2.413) 7.345 13.002 ( 2.943 -1.741 -1.227) 3.633 13.082 ( -7.110 -1.559 0.995) 7.347 13.271 ( -4.738 -1.147 1.565) 5.120 13.399 ( 10.053 2.306 -6.333) 12.104 13.560 ( 3.351 -0.784 3.902) 5.203 13.836 ( 6.473 2.658 -0.401) 7.009 14.448 ( 4.891 1.827 -0.066) 5.222 14.497 ( 5.791 3.398 -0.332) 6.723 15.644 ( -14.368 -16.193 1.760) 21.720 15.778 ( -5.051 -6.765 -1.610) 8.595 16.102 ( -3.429 -19.530 -1.537) 19.888 16.244 ( -12.367 -9.349 1.568) 15.582 17.067 ( 2.902 3.802 2.619) 5.453 17.101 ( -4.236 9.614 -2.241) 10.742 17.439 ( 2.657 2.648 2.615) 4.572 17.449 ( -3.004 -0.751 -2.252) 3.829 18.039 ( -6.052 -5.862 -0.938) 8.477 18.266 ( -6.239 -5.982 -0.056) 8.644 19.095 ( 11.964 0.574 0.171) 11.979 19.200 ( 12.663 3.893 0.240) 13.250 19.953 ( -2.280 -4.803 -0.783) 5.374 20.066 ( -1.231 -3.187 0.951) 3.547 20.838 ( 4.857 16.883 -2.346) 17.723 20.936 ( 6.037 17.996 2.028) 19.089 22.367 ( 9.393 5.814 0.641) 11.065 22.897 ( 2.624 3.085 0.208) 4.055 23.115 ( -4.775 -7.627 -1.355) 9.100 23.321 ( -11.547 -10.748 0.602) 15.787 23.818 ( -0.195 -1.617 -0.151) 1.636 23.888 ( -2.339 -1.680 0.099) 2.882 ======================= Grid point 15 (10/58) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 18.301 9.358 2.525) 20.710 2.819 ( 6.007 6.915 -1.832) 9.342 2.928 ( 9.155 13.714 0.882) 16.513 3.119 ( 1.644 2.334 -0.184) 2.861 3.192 ( 0.921 -3.847 -1.514) 4.235 3.296 ( 3.369 1.062 2.732) 4.466 3.400 ( -4.088 3.215 -0.351) 5.212 3.583 ( 0.151 1.671 -1.575) 2.301 3.786 ( 5.025 4.527 -0.722) 6.802 4.220 ( 5.686 -0.191 0.824) 5.749 5.312 ( -4.939 -0.999 -3.257) 6.000 5.534 ( -9.375 -6.806 3.950) 12.240 5.712 ( 2.854 -8.901 -0.307) 9.353 5.859 ( 4.816 2.176 4.406) 6.881 5.987 ( -2.303 -2.752 -2.691) 4.485 6.008 ( -0.921 -15.358 1.653) 15.474 6.277 ( -5.493 -10.908 -6.965) 14.060 6.417 ( 1.191 -4.714 1.412) 5.063 6.598 ( -12.765 -5.656 4.037) 14.533 6.803 ( 1.801 -1.628 -4.720) 5.308 7.183 ( -6.665 5.846 3.812) 9.650 7.424 ( 3.899 -2.358 -5.151) 6.877 7.473 ( -0.811 0.909 2.721) 2.981 7.834 ( 1.284 0.045 1.315) 1.838 8.013 ( -6.754 2.253 -4.483) 8.414 8.095 ( 0.372 -1.413 6.837) 6.992 8.293 ( 1.759 -1.581 -5.964) 6.416 8.359 ( 0.637 1.143 0.388) 1.364 8.486 ( -2.917 5.918 1.086) 6.687 8.611 ( 9.618 1.726 3.222) 10.289 8.764 ( 1.096 10.670 -5.749) 12.169 8.816 ( -1.127 2.141 4.319) 4.950 8.956 ( 1.999 -10.351 -1.322) 10.625 9.004 ( -3.784 -3.752 -2.704) 5.975 9.144 ( -8.205 -6.028 3.899) 10.903 9.444 ( 6.614 -0.833 -1.074) 6.752 9.643 ( -2.727 5.374 0.463) 6.044 9.812 ( 4.491 -3.336 -3.324) 6.507 9.904 ( -3.766 3.868 2.925) 6.140 9.947 ( -7.288 0.464 3.585) 8.136 10.033 ( -4.012 -4.930 -1.744) 6.591 10.133 ( -11.114 -3.017 1.850) 11.664 10.540 ( 1.649 2.011 0.338) 2.622 10.730 ( -6.821 5.089 -0.073) 8.511 10.793 ( -0.526 0.935 -5.031) 5.144 10.891 ( 4.022 4.565 1.726) 6.324 11.039 ( 7.351 2.624 3.073) 8.388 11.150 ( 5.380 4.672 -2.161) 7.445 11.231 ( -1.645 -2.059 -0.338) 2.657 11.326 ( 2.734 -3.636 -2.750) 5.316 11.476 ( -0.507 -0.778 4.118) 4.221 11.600 ( 1.281 2.856 -0.400) 3.155 11.684 ( -0.775 0.447 -0.956) 1.309 11.779 ( -4.884 -1.504 -2.439) 5.663 12.061 ( 0.575 -0.657 -5.035) 5.110 12.086 ( -0.277 -4.790 4.303) 6.445 12.350 ( 0.010 6.435 -1.217) 6.549 12.418 ( 2.308 4.827 4.101) 6.741 12.587 ( -5.403 5.214 1.386) 7.636 12.714 ( 4.105 4.576 0.733) 6.191 12.928 ( -7.052 -0.441 -0.917) 7.125 13.059 ( -1.537 4.744 -1.052) 5.097 13.220 ( 1.332 -1.948 0.318) 2.382 13.555 ( 5.957 -0.870 5.963) 8.473 13.612 ( 4.103 -1.788 -7.246) 8.517 13.911 ( 1.763 -1.247 0.991) 2.376 14.558 ( 3.976 3.341 -0.172) 5.196 14.637 ( 5.636 3.054 -0.327) 6.419 15.301 ( -4.367 -16.381 0.592) 16.964 15.609 ( -5.494 -7.061 -0.940) 8.995 15.865 ( 0.224 -17.935 1.291) 17.983 15.972 ( -8.338 -6.949 -0.411) 10.862 17.122 ( -3.464 7.485 -1.209) 8.336 17.153 ( 0.548 6.413 2.625) 6.951 17.385 ( -1.063 -1.110 -3.314) 3.653 17.545 ( 2.687 2.912 2.344) 4.604 17.922 ( -3.025 -2.024 -0.863) 3.740 18.116 ( -4.489 -3.670 0.060) 5.798 19.307 ( 11.400 -0.663 0.445) 11.428 19.467 ( 13.199 2.153 -0.168) 13.374 19.844 ( -3.516 -5.681 -0.790) 6.728 19.976 ( -4.214 -4.786 0.974) 6.451 21.065 ( 0.722 16.414 -1.906) 16.540 21.186 ( 0.817 17.642 1.589) 17.733 22.540 ( 7.251 0.693 0.650) 7.313 22.926 ( -1.678 -4.100 0.825) 4.507 22.965 ( -2.602 -7.988 -1.335) 8.506 23.053 ( -7.288 -2.275 -0.115) 7.636 23.782 ( -0.206 -3.703 0.062) 3.709 23.862 ( -0.725 1.083 -0.025) 1.303 ======================= Grid point 16 (11/58) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -1.442 2.498 -0.000) 2.884 2.990 ( 1.814 -3.141 0.000) 3.627 3.005 ( 1.773 -3.071 -0.000) 3.545 3.104 ( -0.697 1.208 0.000) 1.395 3.222 ( -2.927 5.070 0.000) 5.855 3.295 ( -1.005 1.741 0.000) 2.010 3.390 ( -1.720 2.979 -0.000) 3.439 3.596 ( -0.615 1.066 -0.000) 1.231 3.849 ( -0.662 1.147 0.000) 1.324 4.256 ( 2.310 -4.001 0.000) 4.619 5.264 ( -1.596 2.764 0.000) 3.192 5.401 ( 1.061 -1.837 0.000) 2.121 5.681 ( 4.756 -8.237 -0.000) 9.512 5.899 ( 6.842 -11.851 0.000) 13.684 5.931 ( -0.076 0.132 0.000) 0.153 6.020 ( 2.372 -4.109 -0.000) 4.745 6.099 ( 2.268 -3.929 0.000) 4.536 6.414 ( 2.649 -4.589 -0.000) 5.298 6.446 ( -0.532 0.921 -0.000) 1.064 6.810 ( 4.316 -7.476 0.000) 8.633 7.157 ( -6.943 12.025 -0.000) 13.886 7.438 ( -2.206 3.821 0.000) 4.412 7.481 ( 3.299 -5.714 -0.000) 6.598 7.817 ( 0.426 -0.738 0.000) 0.852 7.987 ( -5.549 9.611 0.000) 11.098 8.100 ( 1.902 -3.295 -0.000) 3.805 8.311 ( -0.625 1.082 0.000) 1.250 8.340 ( 1.603 -2.777 -0.000) 3.207 8.538 ( -4.051 7.017 0.000) 8.103 8.752 ( 1.082 -1.874 -0.000) 2.163 8.814 ( 2.794 -4.839 -0.000) 5.587 8.857 ( 1.137 -1.969 0.000) 2.274 8.924 ( -0.282 0.489 0.000) 0.564 8.945 ( -2.484 4.302 0.000) 4.968 8.967 ( -1.275 2.209 -0.000) 2.550 9.548 ( 2.728 -4.725 -0.000) 5.456 9.647 ( -3.303 5.720 -0.000) 6.605 9.765 ( 1.340 -2.321 0.000) 2.680 9.866 ( 3.584 -6.207 0.000) 7.168 9.930 ( -0.484 0.838 -0.000) 0.968 9.967 ( 2.179 -3.774 0.000) 4.358 10.009 ( -7.460 12.921 0.000) 14.920 10.565 ( -1.759 3.047 0.000) 3.519 10.678 ( -4.135 7.161 -0.000) 8.269 10.801 ( -0.794 1.374 -0.000) 1.587 10.961 ( -2.251 3.899 0.000) 4.503 11.116 ( 0.225 -0.389 0.000) 0.449 11.145 ( -0.006 0.010 0.000) 0.012 11.291 ( 0.174 -0.302 0.000) 0.348 11.363 ( 4.205 -7.283 -0.000) 8.410 11.466 ( 0.082 -0.143 -0.000) 0.165 11.648 ( -2.034 3.523 0.000) 4.068 11.668 ( 0.321 -0.556 -0.000) 0.642 11.695 ( -0.191 0.331 -0.000) 0.382 12.022 ( 0.681 -1.180 0.000) 1.362 12.080 ( -0.245 0.425 -0.000) 0.491 12.394 ( -2.240 3.879 -0.000) 4.479 12.474 ( -0.022 0.038 0.000) 0.043 12.552 ( -4.023 6.967 -0.000) 8.045 12.819 ( -2.386 4.133 -0.000) 4.772 12.822 ( 0.620 -1.074 0.000) 1.240 13.055 ( -3.701 6.410 -0.000) 7.401 13.239 ( 1.356 -2.349 0.000) 2.712 13.601 ( 1.907 -3.303 0.000) 3.814 13.642 ( 1.925 -3.334 -0.000) 3.850 13.911 ( 1.165 -2.018 -0.000) 2.330 14.619 ( -1.243 2.153 0.000) 2.486 14.715 ( -0.293 0.508 0.000) 0.587 15.176 ( 7.378 -12.779 -0.000) 14.756 15.508 ( 2.987 -5.174 -0.000) 5.974 15.774 ( 7.787 -13.487 -0.000) 15.574 15.855 ( 0.297 -0.514 0.000) 0.594 17.129 ( -3.399 5.887 0.000) 6.798 17.196 ( -3.733 6.465 -0.000) 7.465 17.372 ( 0.764 -1.324 0.000) 1.529 17.584 ( -0.484 0.837 -0.000) 0.967 17.885 ( 0.052 -0.090 0.000) 0.104 18.055 ( -0.041 0.071 -0.000) 0.082 19.427 ( 3.502 -6.066 0.000) 7.004 19.634 ( 3.255 -5.639 0.000) 6.511 19.766 ( 1.337 -2.315 -0.000) 2.673 19.873 ( 0.369 -0.640 0.000) 0.739 21.161 ( -7.350 12.730 -0.000) 14.699 21.289 ( -8.024 13.898 0.000) 16.048 22.632 ( 3.053 -5.288 -0.000) 6.106 22.813 ( 1.465 -2.538 0.000) 2.931 22.896 ( 3.171 -5.492 -0.000) 6.341 23.019 ( -1.996 3.457 0.000) 3.992 23.759 ( 1.668 -2.889 -0.000) 3.336 23.863 ( -0.687 1.190 0.000) 1.374 ======================= Grid point 25 (12/58) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 12.213 21.154 0.000) 24.427 2.490 ( 13.948 24.159 0.000) 27.897 2.706 ( 5.207 9.019 0.000) 10.414 2.862 ( 6.075 10.523 0.000) 12.151 3.118 ( 3.881 6.721 0.000) 7.761 3.220 ( -1.426 -2.471 0.000) 2.853 3.453 ( 1.158 2.006 0.000) 2.316 3.519 ( 6.812 11.799 0.000) 13.624 3.596 ( 0.307 0.532 0.000) 0.614 3.882 ( 11.677 20.224 0.000) 23.353 5.482 ( -2.900 -5.023 0.000) 5.801 5.627 ( -1.146 -1.985 0.000) 2.292 5.768 ( -1.168 -2.022 0.000) 2.335 5.902 ( -3.989 -6.909 0.000) 7.978 6.114 ( -1.032 -1.788 0.000) 2.064 6.193 ( -9.279 -16.072 0.000) 18.558 6.334 ( -3.448 -5.973 0.000) 6.897 6.564 ( -6.582 -11.401 0.000) 13.164 6.782 ( 0.151 0.262 0.000) 0.302 7.147 ( -7.609 -13.179 0.000) 15.218 7.215 ( 2.371 4.107 0.000) 4.742 7.331 ( -4.124 -7.143 0.000) 8.248 7.519 ( -3.720 -6.443 0.000) 7.440 7.881 ( 4.640 8.037 0.000) 9.281 7.927 ( 0.637 1.103 0.000) 1.274 8.222 ( -2.565 -4.442 0.000) 5.129 8.231 ( -5.910 -10.236 0.000) 11.819 8.340 ( 3.951 6.844 0.000) 7.903 8.571 ( -2.857 -4.948 0.000) 5.714 8.653 ( -1.053 -1.824 0.000) 2.107 8.725 ( 1.866 3.233 0.000) 3.733 8.836 ( 0.607 1.052 0.000) 1.214 9.002 ( -1.370 -2.373 0.000) 2.740 9.039 ( -6.607 -11.444 0.000) 13.214 9.331 ( -2.653 -4.596 0.000) 5.307 9.397 ( -4.151 -7.190 0.000) 8.303 9.587 ( 0.929 1.609 0.000) 1.858 9.703 ( 0.182 0.316 0.000) 0.365 10.057 ( -1.040 -1.802 0.000) 2.080 10.109 ( 3.473 6.015 0.000) 6.945 10.354 ( 1.718 2.975 0.000) 3.436 10.410 ( 3.342 5.789 0.000) 6.684 10.458 ( -4.259 -7.377 0.000) 8.519 10.484 ( -0.981 -1.700 0.000) 1.963 10.684 ( 0.378 0.655 0.000) 0.756 10.900 ( 0.805 1.395 0.000) 1.610 10.960 ( -0.151 -0.261 0.000) 0.301 11.060 ( 2.386 4.133 0.000) 4.772 11.161 ( 2.109 3.653 0.000) 4.219 11.352 ( -0.934 -1.618 0.000) 1.869 11.468 ( -3.522 -6.101 0.000) 7.045 11.635 ( 1.610 2.789 0.000) 3.221 11.792 ( -1.739 -3.011 0.000) 3.477 11.871 ( -0.044 -0.076 0.000) 0.087 11.949 ( 0.404 0.700 0.000) 0.809 11.981 ( 2.257 3.910 0.000) 4.514 12.284 ( 1.570 2.719 0.000) 3.140 12.475 ( 4.995 8.651 0.000) 9.990 12.569 ( 0.466 0.808 0.000) 0.933 12.758 ( 5.990 10.374 0.000) 11.979 12.905 ( -2.302 -3.987 0.000) 4.604 13.187 ( -0.210 -0.364 0.000) 0.421 13.270 ( 2.430 4.210 0.000) 4.861 13.344 ( -3.555 -6.157 0.000) 7.110 13.502 ( 1.003 1.738 0.000) 2.007 13.781 ( 3.561 6.168 0.000) 7.122 14.406 ( 2.133 3.694 0.000) 4.266 14.458 ( 2.650 4.590 0.000) 5.300 15.718 ( -4.917 -8.516 0.000) 9.834 15.790 ( -14.463 -25.050 0.000) 28.925 15.976 ( -6.948 -12.035 0.000) 13.897 16.322 ( -7.685 -13.311 0.000) 15.370 17.052 ( 2.487 4.308 0.000) 4.974 17.245 ( 4.288 7.427 0.000) 8.576 17.373 ( 1.478 2.561 0.000) 2.957 17.505 ( -3.150 -5.457 0.000) 6.301 18.065 ( -4.361 -7.554 0.000) 8.722 18.291 ( -4.356 -7.545 0.000) 8.712 18.971 ( 3.723 6.448 0.000) 7.446 19.093 ( 4.735 8.201 0.000) 9.469 19.952 ( -2.485 -4.305 0.000) 4.970 20.051 ( -1.264 -2.190 0.000) 2.528 20.899 ( 9.357 16.207 0.000) 18.714 20.991 ( 10.399 18.012 0.000) 20.799 22.306 ( 5.280 9.146 0.000) 10.561 22.890 ( 2.212 3.832 0.000) 4.425 23.114 ( -5.088 -8.812 0.000) 10.176 23.369 ( -7.768 -13.454 0.000) 15.535 23.811 ( -1.028 -1.781 0.000) 2.057 23.900 ( -1.386 -2.401 0.000) 2.772 ======================= Grid point 26 (13/58) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.363 ( 15.602 15.779 1.299) 22.228 2.844 ( 1.942 9.587 -0.813) 9.816 2.912 ( 9.091 13.595 -1.058) 16.388 3.078 ( 7.289 6.239 0.804) 9.628 3.167 ( -1.632 -1.935 -0.237) 2.543 3.233 ( 3.925 1.753 1.622) 4.594 3.482 ( -0.897 3.102 -0.467) 3.263 3.612 ( 0.017 3.115 -1.423) 3.425 3.738 ( 6.385 6.854 0.413) 9.376 4.126 ( 4.461 1.609 0.156) 4.744 5.376 ( -3.970 -2.730 -1.207) 4.967 5.554 ( -1.296 -10.126 0.135) 10.209 5.665 ( -8.443 -4.938 2.098) 10.004 5.814 ( 0.856 -0.072 2.752) 2.883 5.866 ( -3.276 -18.463 -0.377) 18.755 6.066 ( -5.457 0.928 -5.502) 7.805 6.229 ( -0.486 -8.590 3.413) 9.256 6.351 ( -3.525 -10.045 -2.143) 10.859 6.659 ( -6.788 -13.584 0.243) 15.187 6.794 ( -8.543 -12.286 1.164) 15.009 7.270 ( -1.114 -0.116 2.316) 2.572 7.313 ( 3.983 -0.453 -2.918) 4.959 7.585 ( 1.843 13.245 -0.943) 13.406 7.883 ( -4.245 5.914 1.063) 7.357 8.067 ( -3.115 -4.647 -0.599) 5.626 8.122 ( 9.125 4.912 -3.387) 10.902 8.142 ( 1.817 -3.791 3.357) 5.380 8.434 ( -5.063 -1.109 -2.020) 5.563 8.508 ( 3.831 3.033 1.929) 5.253 8.602 ( -3.449 0.574 0.513) 3.534 8.830 ( 0.703 6.602 0.716) 6.678 8.858 ( -2.584 2.663 0.364) 3.729 8.891 ( -0.502 -2.127 -1.234) 2.510 8.979 ( 4.413 -2.557 -0.405) 5.117 9.206 ( -7.527 -5.513 0.947) 9.378 9.314 ( 4.462 -4.365 0.651) 6.276 9.654 ( 4.492 -0.879 1.188) 4.729 9.713 ( -0.143 0.626 -3.727) 3.782 9.980 ( -3.107 -7.678 -2.759) 8.730 10.022 ( -7.401 -8.543 4.497) 12.165 10.196 ( -13.028 2.863 0.075) 13.339 10.383 ( -9.452 11.472 0.943) 14.894 10.501 ( 4.662 1.059 3.404) 5.869 10.684 ( 14.274 1.731 -6.114) 15.624 10.770 ( 5.519 1.992 0.407) 5.882 10.922 ( -3.283 1.936 0.781) 3.890 10.981 ( 3.073 5.337 2.478) 6.639 11.145 ( 0.814 2.221 1.572) 2.840 11.183 ( 3.197 -1.465 -4.105) 5.405 11.327 ( -5.096 -0.098 -1.133) 5.221 11.454 ( 5.648 1.356 1.930) 6.120 11.654 ( -2.510 2.419 -0.924) 3.606 11.696 ( -3.665 -0.274 -1.040) 3.819 11.854 ( -3.541 -4.004 -1.308) 5.503 11.968 ( 4.386 -0.470 5.423) 6.990 12.059 ( 1.772 -0.030 -4.196) 4.555 12.371 ( 3.521 5.099 -0.665) 6.232 12.517 ( -4.882 6.714 5.184) 9.787 12.662 ( 5.583 1.832 -3.535) 6.857 12.783 ( -6.983 5.520 2.980) 9.387 13.003 ( 6.775 5.021 -3.243) 9.035 13.120 ( -7.793 1.295 -0.246) 7.904 13.225 ( -1.673 -1.640 2.934) 3.755 13.410 ( 7.934 -0.459 -1.827) 8.155 13.524 ( 2.125 -2.527 -0.226) 3.309 13.863 ( 1.849 -0.315 0.340) 1.907 14.511 ( 5.041 4.675 0.062) 6.876 14.571 ( 5.041 4.161 -0.200) 6.540 15.315 ( -14.043 -14.903 0.240) 20.478 15.542 ( -1.662 -15.741 0.260) 15.831 15.686 ( -5.727 -20.160 -0.503) 20.964 16.052 ( -8.670 -9.848 0.046) 13.121 17.162 ( 3.649 5.543 2.072) 6.952 17.300 ( -5.248 8.576 -1.924) 10.237 17.417 ( -2.580 -1.371 -2.178) 3.644 17.477 ( 6.499 -0.173 2.291) 6.893 17.954 ( -2.890 -2.735 -0.258) 3.987 18.149 ( -3.876 -4.765 -0.043) 6.142 19.139 ( 8.196 4.423 0.201) 9.315 19.294 ( 9.332 5.970 -0.046) 11.079 19.844 ( -3.537 -6.296 -0.396) 7.233 19.981 ( -2.683 -4.988 0.469) 5.683 21.213 ( 5.314 19.119 -0.906) 19.864 21.343 ( 6.259 21.012 0.752) 21.938 22.437 ( 4.120 0.691 0.374) 4.194 22.918 ( -2.218 -4.511 4.290) 6.608 22.922 ( -4.053 -10.068 -4.692) 11.824 23.129 ( -5.419 -5.354 0.057) 7.618 23.755 ( -1.422 -3.975 0.024) 4.222 23.878 ( -0.244 0.373 -0.005) 0.446 ======================= Grid point 27 (14/58) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.760 ( 12.601 10.765 1.476) 16.638 2.933 ( 0.355 4.521 -0.952) 4.634 3.039 ( -4.250 -2.821 -1.111) 5.221 3.120 ( 0.012 1.247 -0.203) 1.263 3.219 ( 3.948 0.071 0.432) 3.972 3.304 ( 1.889 0.476 1.460) 2.434 3.509 ( -2.632 8.881 -0.177) 9.265 3.646 ( -1.377 4.799 -0.535) 5.021 3.857 ( 1.740 1.986 -0.516) 2.691 4.148 ( 3.045 -6.241 0.256) 6.949 5.316 ( -0.347 -0.271 0.198) 0.483 5.387 ( -4.665 -7.235 0.537) 8.625 5.504 ( 0.526 -8.529 -0.915) 8.594 5.715 ( 1.758 -9.605 -0.163) 9.766 5.907 ( 6.658 0.642 4.938) 8.314 5.970 ( -3.817 0.742 -2.798) 4.790 6.079 ( -5.375 -8.307 -3.440) 10.475 6.288 ( 4.063 -7.377 0.949) 8.475 6.407 ( -2.410 -11.344 1.248) 11.664 6.639 ( 2.494 -11.310 -0.509) 11.593 7.263 ( -0.238 0.203 1.293) 1.331 7.353 ( 3.651 -4.174 -1.529) 5.752 7.679 ( -8.309 16.698 -1.895) 18.747 7.878 ( -3.921 4.601 3.940) 7.216 8.035 ( 2.007 -0.912 -0.390) 2.239 8.155 ( 0.298 3.872 -0.983) 4.005 8.286 ( 2.139 2.202 -2.587) 4.015 8.362 ( -3.524 0.278 0.206) 3.541 8.589 ( 7.536 -1.242 1.904) 7.871 8.622 ( 2.356 2.225 0.517) 3.281 8.769 ( -3.507 -1.585 0.687) 3.910 8.838 ( -1.800 -0.312 -0.564) 1.912 8.968 ( -0.449 7.136 -2.907) 7.718 9.026 ( -6.352 -2.895 2.481) 7.408 9.094 ( 2.149 7.913 0.476) 8.213 9.390 ( 7.804 -4.829 -0.231) 9.180 9.683 ( 0.161 -1.158 1.052) 1.573 9.709 ( 1.333 -5.518 -8.173) 9.952 9.775 ( -3.206 -7.957 5.934) 10.431 9.864 ( -0.070 -11.600 0.779) 11.627 10.056 ( -8.898 8.699 -0.006) 12.444 10.364 ( -10.100 17.817 0.237) 20.482 10.584 ( 2.621 0.698 1.247) 2.986 10.806 ( -2.593 2.221 -0.705) 3.486 10.819 ( 0.799 2.172 -1.484) 2.750 10.997 ( 3.225 3.997 -0.644) 5.176 11.089 ( 4.179 1.015 3.357) 5.455 11.138 ( 0.473 -5.192 2.423) 5.749 11.231 ( 4.086 1.611 -3.960) 5.914 11.308 ( -2.090 5.293 -1.725) 5.947 11.521 ( -1.446 3.340 2.228) 4.268 11.650 ( 1.161 -0.777 0.018) 1.397 11.668 ( 0.136 -0.405 -4.758) 4.777 11.719 ( -5.155 -2.246 2.789) 6.277 12.004 ( 0.595 -3.613 2.684) 4.540 12.059 ( 1.229 -1.236 -2.553) 3.092 12.477 ( 1.225 5.236 -1.728) 5.648 12.513 ( -3.406 5.792 2.857) 7.302 12.732 ( -5.000 7.932 -0.907) 9.420 12.771 ( 3.736 1.193 2.848) 4.847 12.951 ( -7.603 1.218 -2.433) 8.075 13.169 ( -0.797 5.494 -2.801) 6.218 13.208 ( 0.491 2.596 2.809) 3.857 13.500 ( 4.346 -4.491 8.002) 10.154 13.545 ( 4.343 -4.157 -8.452) 10.372 13.852 ( 1.150 -4.847 0.548) 5.012 14.654 ( 3.220 6.226 0.339) 7.018 14.704 ( 3.956 4.012 0.082) 5.635 15.012 ( -4.496 -11.306 -1.040) 12.212 15.341 ( -0.213 -16.207 0.532) 16.217 15.470 ( 5.339 -19.595 0.494) 20.315 15.863 ( -2.817 -5.437 -0.370) 6.135 17.253 ( -1.461 5.529 1.138) 5.831 17.306 ( -1.694 7.230 1.141) 7.513 17.374 ( -1.984 0.102 -2.814) 3.445 17.552 ( 3.200 -2.003 0.544) 3.814 17.887 ( -1.434 -2.252 -0.032) 2.670 18.078 ( -1.799 0.376 -0.010) 1.838 19.311 ( 5.936 2.012 0.235) 6.272 19.504 ( 7.718 2.463 -0.188) 8.104 19.720 ( -1.629 -6.769 -0.324) 6.970 19.866 ( -2.813 -5.783 0.403) 6.444 21.439 ( -3.455 19.356 -0.628) 19.671 21.594 ( -3.812 21.364 0.513) 21.708 22.474 ( 4.939 -8.090 0.430) 9.488 22.756 ( 1.011 -12.382 -0.660) 12.441 22.794 ( -2.479 -5.320 0.340) 5.878 23.087 ( -1.457 2.945 -0.083) 3.286 23.704 ( 0.432 -3.654 0.024) 3.679 23.882 ( -0.260 0.838 -0.003) 0.878 ======================= Grid point 37 (15/58) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.692 ( 9.163 15.871 0.000) 18.326 2.973 ( 2.328 4.032 0.000) 4.655 3.067 ( 1.486 2.573 0.000) 2.971 3.127 ( -1.279 -2.216 0.000) 2.558 3.163 ( 0.118 0.204 0.000) 0.236 3.282 ( 1.113 1.928 0.000) 2.226 3.587 ( 4.680 8.106 0.000) 9.360 3.699 ( 2.883 4.993 0.000) 5.765 3.841 ( 1.570 2.720 0.000) 3.141 4.076 ( -2.981 -5.164 0.000) 5.963 5.305 ( -2.781 -4.816 0.000) 5.561 5.353 ( -4.702 -8.145 0.000) 9.405 5.554 ( -4.113 -7.124 0.000) 8.226 5.608 ( -1.958 -3.391 0.000) 3.915 5.845 ( 1.722 2.983 0.000) 3.445 6.057 ( -3.720 -6.443 0.000) 7.440 6.071 ( -2.113 -3.660 0.000) 4.226 6.181 ( -2.770 -4.797 0.000) 5.539 6.361 ( -7.485 -12.965 0.000) 14.971 6.550 ( -5.540 -9.596 0.000) 11.081 7.261 ( -0.262 -0.453 0.000) 0.523 7.297 ( -0.688 -1.191 0.000) 1.376 7.879 ( 5.780 10.011 0.000) 11.560 7.958 ( 1.936 3.353 0.000) 3.872 8.057 ( 1.479 2.562 0.000) 2.959 8.074 ( -1.064 -1.843 0.000) 2.128 8.286 ( 1.990 3.447 0.000) 3.981 8.362 ( -0.225 -0.390 0.000) 0.450 8.563 ( 2.891 5.008 0.000) 5.783 8.599 ( 0.193 0.335 0.000) 0.386 8.824 ( -2.351 -4.072 0.000) 4.701 8.871 ( -0.136 -0.236 0.000) 0.272 9.016 ( 1.413 2.448 0.000) 2.826 9.018 ( 3.947 6.836 0.000) 7.894 9.172 ( 1.157 2.004 0.000) 2.314 9.237 ( 0.311 0.539 0.000) 0.622 9.651 ( -0.145 -0.250 0.000) 0.289 9.684 ( -2.360 -4.088 0.000) 4.721 9.777 ( -6.543 -11.333 0.000) 13.087 9.786 ( -6.318 -10.943 0.000) 12.636 10.262 ( 1.678 2.906 0.000) 3.356 10.462 ( 1.080 1.870 0.000) 2.160 10.667 ( 1.636 2.834 0.000) 3.272 10.772 ( 5.665 9.812 0.000) 11.330 10.835 ( 2.211 3.830 0.000) 4.422 10.957 ( 1.800 3.118 0.000) 3.600 11.049 ( 0.352 0.609 0.000) 0.704 11.084 ( -3.520 -6.096 0.000) 7.039 11.225 ( 4.148 7.184 0.000) 8.295 11.402 ( 2.301 3.985 0.000) 4.601 11.505 ( 1.206 2.088 0.000) 2.412 11.634 ( -1.497 -2.592 0.000) 2.993 11.681 ( -1.823 -3.157 0.000) 3.646 11.817 ( 0.095 0.165 0.000) 0.190 11.914 ( -1.524 -2.639 0.000) 3.047 12.050 ( -1.395 -2.416 0.000) 2.790 12.496 ( 3.809 6.598 0.000) 7.619 12.588 ( 0.769 1.333 0.000) 1.539 12.723 ( 1.767 3.061 0.000) 3.534 12.835 ( 0.877 1.520 0.000) 1.755 13.053 ( -1.881 -3.258 0.000) 3.762 13.203 ( 6.187 10.717 0.000) 12.375 13.236 ( -0.273 -0.473 0.000) 0.547 13.421 ( 1.421 2.461 0.000) 2.842 13.458 ( -2.151 -3.726 0.000) 4.303 13.807 ( -3.041 -5.267 0.000) 6.082 14.640 ( 4.460 7.724 0.000) 8.919 14.687 ( 4.399 7.619 0.000) 8.798 15.056 ( -6.344 -10.988 0.000) 12.687 15.218 ( -8.134 -14.088 0.000) 16.267 15.311 ( -9.245 -16.013 0.000) 18.491 15.851 ( -5.057 -8.758 0.000) 10.113 17.278 ( 3.004 5.204 0.000) 6.009 17.396 ( -0.510 -0.883 0.000) 1.020 17.415 ( 0.969 1.678 0.000) 1.938 17.468 ( 0.768 1.331 0.000) 1.536 17.888 ( -2.287 -3.961 0.000) 4.574 18.100 ( -0.171 -0.296 0.000) 0.341 19.271 ( 4.538 7.860 0.000) 9.075 19.446 ( 4.917 8.516 0.000) 9.833 19.697 ( -4.492 -7.780 0.000) 8.983 19.860 ( -4.007 -6.940 0.000) 8.014 21.589 ( 9.876 17.106 0.000) 19.752 21.759 ( 11.013 19.075 0.000) 22.026 22.371 ( -4.348 -7.531 0.000) 8.696 22.664 ( -7.762 -13.444 0.000) 15.524 22.791 ( -3.174 -5.498 0.000) 6.348 23.117 ( 0.792 1.371 0.000) 1.584 23.680 ( -1.721 -2.981 0.000) 3.442 23.889 ( 0.286 0.496 0.000) 0.573 ======================= Grid point 38 (16/58) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( -2.547 4.412 0.000) 5.095 2.995 ( -1.567 2.714 0.000) 3.134 3.018 ( -2.280 3.950 -0.000) 4.561 3.114 ( 1.557 -2.698 -0.000) 3.115 3.150 ( 2.687 -4.655 0.000) 5.375 3.291 ( 0.708 -1.226 -0.000) 1.416 3.716 ( -4.969 8.606 0.000) 9.937 3.769 ( -4.028 6.976 -0.000) 8.056 3.853 ( 1.303 -2.256 -0.000) 2.605 3.993 ( 4.707 -8.153 0.000) 9.415 5.236 ( 2.142 -3.710 0.000) 4.284 5.263 ( 2.503 -4.336 -0.000) 5.006 5.490 ( -2.403 4.162 0.000) 4.806 5.589 ( 2.390 -4.139 0.000) 4.779 5.935 ( -0.124 0.214 -0.000) 0.247 5.939 ( 0.612 -1.060 0.000) 1.225 5.991 ( 0.731 -1.266 -0.000) 1.462 6.156 ( 2.430 -4.210 0.000) 4.861 6.216 ( 3.335 -5.777 -0.000) 6.670 6.448 ( 3.299 -5.714 0.000) 6.598 7.256 ( 0.036 -0.062 0.000) 0.071 7.282 ( 1.344 -2.329 -0.000) 2.689 7.955 ( -3.889 6.736 -0.000) 7.778 7.986 ( -2.847 4.932 -0.000) 5.694 8.073 ( -3.554 6.155 0.000) 7.108 8.110 ( 2.854 -4.943 -0.000) 5.707 8.262 ( 3.595 -6.227 -0.000) 7.190 8.387 ( -0.972 1.683 -0.000) 1.943 8.649 ( -0.720 1.246 0.000) 1.439 8.669 ( -2.641 4.574 -0.000) 5.282 8.753 ( -1.086 1.881 -0.000) 2.172 8.870 ( -1.749 3.029 -0.000) 3.498 8.972 ( 0.954 -1.653 0.000) 1.908 9.069 ( 1.245 -2.157 -0.000) 2.491 9.269 ( -4.869 8.434 -0.000) 9.739 9.318 ( -0.982 1.701 0.000) 1.964 9.563 ( 4.100 -7.101 0.000) 8.200 9.603 ( 6.319 -10.945 0.000) 12.638 9.663 ( 0.375 -0.650 -0.000) 0.750 9.682 ( 1.665 -2.884 -0.000) 3.330 10.288 ( -7.076 12.255 -0.000) 14.151 10.523 ( 3.531 -6.116 0.000) 7.063 10.647 ( -3.292 5.701 0.000) 6.583 10.856 ( -0.656 1.136 0.000) 1.311 10.895 ( -4.910 8.505 -0.000) 9.821 11.001 ( 2.663 -4.612 0.000) 5.325 11.033 ( -0.116 0.202 0.000) 0.233 11.077 ( 1.920 -3.325 -0.000) 3.840 11.366 ( -3.325 5.759 0.000) 6.650 11.396 ( -2.651 4.591 -0.000) 5.302 11.530 ( 2.048 -3.548 0.000) 4.097 11.579 ( 2.325 -4.026 -0.000) 4.649 11.634 ( 0.361 -0.625 -0.000) 0.722 11.797 ( -4.439 7.688 -0.000) 8.878 11.942 ( 1.872 -3.242 -0.000) 3.744 11.980 ( 3.039 -5.264 0.000) 6.078 12.575 ( -2.649 4.588 0.000) 5.298 12.613 ( -1.332 2.307 -0.000) 2.664 12.739 ( 1.989 -3.445 -0.000) 3.978 12.858 ( -1.917 3.320 0.000) 3.833 13.032 ( -4.454 7.714 -0.000) 8.907 13.212 ( 1.425 -2.468 0.000) 2.850 13.339 ( -3.147 5.451 -0.000) 6.294 13.395 ( 2.042 -3.537 0.000) 4.085 13.493 ( -0.885 1.532 -0.000) 1.770 13.709 ( 4.881 -8.453 -0.000) 9.761 14.794 ( -3.212 5.564 0.000) 6.425 14.825 ( -4.487 7.771 -0.000) 8.974 14.863 ( 0.866 -1.500 -0.000) 1.732 15.043 ( 6.882 -11.920 -0.000) 13.764 15.116 ( 8.027 -13.903 0.000) 16.054 15.752 ( 2.290 -3.966 0.000) 4.580 17.341 ( -1.565 2.711 -0.000) 3.130 17.377 ( -0.182 0.316 0.000) 0.365 17.426 ( -2.234 3.870 0.000) 4.469 17.496 ( 1.664 -2.882 -0.000) 3.328 17.836 ( 1.076 -1.864 0.000) 2.152 18.103 ( -0.598 1.037 -0.000) 1.197 19.392 ( -2.976 5.154 0.000) 5.951 19.561 ( 1.385 -2.398 -0.000) 2.769 19.596 ( -0.171 0.297 0.000) 0.343 19.746 ( 3.173 -5.495 -0.000) 6.345 21.817 ( -9.558 16.555 0.000) 19.116 22.013 ( -10.563 18.296 0.000) 21.127 22.232 ( 7.899 -13.681 -0.000) 15.798 22.468 ( 8.564 -14.834 -0.000) 17.129 22.740 ( 0.514 -0.890 0.000) 1.028 23.134 ( -0.756 1.310 0.000) 1.512 23.648 ( 0.899 -1.557 -0.000) 1.798 23.895 ( -0.184 0.319 0.000) 0.369 ======================= Grid point 133 (17/58) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 0.000 0.000 33.996) 33.996 0.609 ( -0.000 -0.000 33.996) 33.996 1.170 ( 0.000 -0.000 64.072) 64.072 1.783 ( 0.000 0.000 -31.128) 31.128 1.783 ( 0.000 -0.000 -31.128) 31.128 2.794 ( 0.000 -0.000 23.137) 23.137 2.794 ( 0.000 -0.000 23.137) 23.137 3.108 ( 0.000 0.000 -37.512) 37.512 3.375 ( 0.000 0.000 -8.466) 8.466 3.375 ( 0.000 -0.000 -8.466) 8.466 5.659 ( 0.000 0.000 4.811) 4.811 5.719 ( 0.000 -0.000 0.845) 0.845 5.845 ( 0.000 0.000 3.483) 3.483 6.101 ( 0.000 -0.000 -9.641) 9.641 6.401 ( 0.000 0.000 6.044) 6.044 6.401 ( 0.000 -0.000 6.044) 6.044 6.719 ( 0.000 0.000 16.563) 16.563 6.791 ( 0.000 0.000 -13.283) 13.283 6.791 ( 0.000 -0.000 -13.283) 13.283 7.234 ( 0.000 -0.000 -8.455) 8.455 7.492 ( 0.000 0.000 9.606) 9.606 7.492 ( 0.000 -0.000 9.606) 9.606 7.688 ( 0.000 0.000 0.499) 0.499 7.688 ( 0.000 -0.000 0.499) 0.499 8.203 ( 0.000 0.000 12.451) 12.451 8.701 ( 0.000 0.000 0.593) 0.593 8.701 ( 0.000 -0.000 0.593) 0.593 8.872 ( 0.000 0.000 -6.425) 6.425 8.872 ( 0.000 -0.000 -6.425) 6.425 8.920 ( 0.000 -0.000 -23.619) 23.619 8.985 ( 0.000 0.000 4.584) 4.584 8.985 ( -0.000 -0.000 4.584) 4.584 9.256 ( 0.000 0.000 -8.513) 8.513 9.256 ( 0.000 -0.000 -8.513) 8.513 9.672 ( 0.000 0.000 7.714) 7.714 9.672 ( 0.000 -0.000 7.714) 7.714 9.791 ( 0.000 0.000 18.842) 18.842 9.845 ( 0.000 0.000 -1.174) 1.174 9.845 ( -0.000 -0.000 -1.174) 1.174 10.306 ( 0.000 -0.000 -8.547) 8.547 10.620 ( 0.000 0.000 2.669) 2.669 10.667 ( 0.000 0.000 1.078) 1.078 10.667 ( 0.000 -0.000 1.078) 1.078 10.686 ( 0.000 0.000 0.939) 0.939 10.686 ( 0.000 -0.000 0.939) 0.939 10.780 ( 0.000 -0.000 -6.369) 6.369 11.048 ( 0.000 0.000 7.811) 7.811 11.233 ( 0.000 0.000 -0.854) 0.854 11.233 ( 0.000 -0.000 -0.854) 0.854 11.259 ( 0.000 0.000 -2.109) 2.109 11.259 ( -0.000 -0.000 -2.109) 2.109 11.288 ( 0.000 -0.000 -4.940) 4.940 11.835 ( 0.000 0.000 4.276) 4.276 11.835 ( 0.000 -0.000 4.276) 4.276 12.044 ( 0.000 0.000 5.789) 5.789 12.056 ( 0.000 0.000 -7.055) 7.055 12.056 ( -0.000 -0.000 -7.055) 7.055 12.258 ( 0.000 -0.000 -4.054) 4.054 12.372 ( 0.000 0.000 7.193) 7.193 12.372 ( 0.000 -0.000 7.193) 7.193 12.579 ( 0.000 0.000 -3.351) 3.351 12.579 ( 0.000 -0.000 -3.351) 3.351 13.346 ( 0.000 -0.000 4.794) 4.794 13.593 ( 0.000 0.000 -6.309) 6.309 14.205 ( 0.000 0.000 0.648) 0.648 14.205 ( 0.000 -0.000 0.648) 0.648 14.235 ( 0.000 0.000 -0.642) 0.642 14.235 ( 0.000 -0.000 -0.642) 0.642 15.043 ( 0.000 -0.000 7.135) 7.135 15.331 ( 0.000 0.000 -5.804) 5.804 17.093 ( 0.000 0.000 0.193) 0.193 17.093 ( 0.000 -0.000 0.193) 0.193 17.102 ( 0.000 0.000 -0.195) 0.195 17.102 ( -0.000 -0.000 -0.195) 0.195 18.677 ( 0.000 0.000 1.128) 1.128 18.677 ( 0.000 -0.000 1.128) 1.128 18.727 ( 0.000 0.000 2.174) 2.174 18.729 ( 0.000 0.000 -1.156) 1.156 18.729 ( 0.000 -0.000 -1.156) 1.156 18.822 ( 0.000 -0.000 -1.993) 1.993 20.048 ( 0.000 0.000 0.619) 0.619 20.048 ( -0.000 -0.000 0.619) 0.619 20.075 ( 0.000 0.000 -0.580) 0.580 20.075 ( 0.000 -0.000 -0.580) 0.580 20.417 ( 0.000 0.000 0.248) 0.248 20.428 ( 0.000 -0.000 -0.246) 0.246 23.867 ( 0.000 0.000 0.948) 0.948 23.925 ( 0.000 0.000 -1.987) 1.987 24.028 ( 0.000 0.000 1.966) 1.966 24.085 ( 0.000 -0.000 -0.927) 0.927 ======================= Grid point 134 (18/58) ======================= q-point: ( 0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 24.700 14.261 23.735) 37.106 1.077 ( 24.863 14.355 25.372) 38.314 1.618 ( 37.541 21.675 35.316) 55.914 1.768 ( 4.174 2.410 -27.804) 28.219 2.097 ( 17.569 10.144 -26.548) 33.412 2.788 ( 4.334 2.502 19.620) 20.248 2.938 ( 7.050 4.070 20.368) 21.935 3.191 ( 7.466 4.310 -31.195) 32.365 3.307 ( -3.263 -1.884 -10.492) 11.148 3.421 ( 1.612 0.931 -4.415) 4.791 5.653 ( -0.156 -0.090 2.002) 2.010 5.689 ( -2.538 -1.465 -0.355) 2.952 5.823 ( -1.603 -0.925 4.575) 4.935 6.082 ( -1.488 -0.859 -8.670) 8.839 6.354 ( -3.028 -1.748 3.900) 5.238 6.462 ( 2.643 1.526 8.605) 9.131 6.684 ( -2.380 -1.374 13.587) 13.863 6.741 ( -1.426 -0.823 -13.104) 13.207 6.836 ( 0.873 0.504 -8.622) 8.681 7.212 ( -1.588 -0.917 -9.327) 9.505 7.483 ( -0.527 -0.304 8.802) 8.823 7.511 ( 0.601 0.347 9.426) 9.452 7.683 ( 1.810 1.045 -2.254) 3.074 7.763 ( 3.915 2.260 -0.400) 4.538 8.103 ( -8.169 -4.716 9.554) 13.426 8.512 ( -11.911 -6.877 -0.032) 13.754 8.687 ( -1.852 -1.069 1.030) 2.374 8.730 ( -8.939 -5.161 2.745) 10.681 8.849 ( -3.394 -1.959 -6.244) 7.372 8.906 ( -2.671 -1.542 -5.013) 5.885 8.964 ( -2.547 -1.470 3.909) 4.891 9.048 ( -2.268 -1.309 -12.992) 13.253 9.164 ( -2.174 -1.255 -4.217) 4.907 9.228 ( -1.866 -1.077 -7.957) 8.244 9.561 ( -2.373 -1.370 3.557) 4.490 9.617 ( -1.999 -1.154 7.066) 7.434 9.772 ( -6.452 -3.725 -4.227) 8.565 9.852 ( 0.852 0.492 4.823) 4.923 9.926 ( 5.296 3.058 9.591) 11.374 10.194 ( -9.058 -5.230 -4.336) 11.323 10.346 ( -11.207 -6.471 18.903) 22.909 10.368 ( -6.306 -3.641 0.875) 7.334 10.597 ( -8.845 -5.107 3.907) 10.935 10.655 ( -4.752 -2.744 8.148) 9.823 10.752 ( 0.402 0.232 1.060) 1.158 10.888 ( -2.904 -1.677 -0.334) 3.370 10.991 ( 8.687 5.015 3.934) 10.774 11.180 ( -3.562 -2.057 -7.395) 8.462 11.217 ( 2.945 1.700 -0.272) 3.412 11.268 ( 4.505 2.601 -6.128) 8.038 11.443 ( 9.232 5.330 -0.445) 10.669 11.516 ( 7.888 4.554 -4.679) 10.240 11.655 ( -6.504 -3.755 3.067) 8.112 11.736 ( -1.240 -0.716 2.815) 3.158 11.827 ( -6.172 -3.563 0.057) 7.126 11.926 ( -0.453 -0.262 6.337) 6.358 12.226 ( 3.013 1.739 4.317) 5.544 12.272 ( -2.498 -1.442 2.855) 4.058 12.466 ( 1.376 0.794 -5.962) 6.170 12.517 ( -2.813 -1.624 -1.382) 3.530 12.704 ( 19.671 11.357 0.518) 22.720 12.804 ( 12.997 7.504 -2.903) 15.286 13.291 ( -5.917 -3.416 7.596) 10.216 13.571 ( -1.816 -1.049 -6.363) 6.700 13.585 ( -10.151 -5.861 17.888) 21.386 13.894 ( -20.938 -12.089 -4.606) 24.612 14.239 ( 2.393 1.381 0.692) 2.848 14.256 ( 1.994 1.151 -0.753) 2.422 15.408 ( 22.299 12.874 9.286) 27.372 15.844 ( 12.025 6.942 -15.329) 20.683 17.013 ( -8.526 -4.923 2.257) 10.101 17.062 ( -2.774 -1.602 -0.043) 3.204 17.079 ( -2.024 -1.169 -0.084) 2.339 17.097 ( -0.611 -0.353 0.051) 0.708 17.965 ( -20.587 -11.886 1.451) 23.816 18.057 ( -36.851 -21.276 -1.601) 42.583 18.688 ( -4.841 -2.795 2.392) 6.080 18.711 ( -7.583 -4.378 -0.357) 8.763 18.717 ( 2.339 1.351 -0.410) 2.732 18.772 ( 2.199 1.270 0.030) 2.540 20.063 ( 1.239 0.715 0.297) 1.461 20.068 ( 0.314 0.181 -0.701) 0.789 20.133 ( 5.360 3.095 -1.611) 6.396 20.165 ( 8.430 4.867 0.562) 9.750 21.059 ( 37.284 21.526 6.327) 43.514 21.805 ( 44.907 25.927 -48.081) 70.715 23.696 ( -9.843 -5.683 10.491) 15.467 23.876 ( -3.985 -2.301 -3.121) 5.560 23.987 ( -3.367 -1.944 2.603) 4.679 24.060 ( -1.963 -1.134 -1.252) 2.590 ======================= Grid point 135 (19/58) ======================= q-point: ( 0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 20.867 12.048 25.959) 35.419 1.641 ( 26.438 15.264 15.976) 34.455 1.956 ( 11.400 6.582 -19.546) 23.565 2.471 ( 13.521 7.806 -22.755) 27.596 2.620 ( 41.212 23.794 6.877) 48.082 2.968 ( 9.975 5.759 8.827) 14.511 3.110 ( 7.472 4.314 15.448) 17.694 3.222 ( -3.110 -1.796 -10.417) 11.019 3.459 ( 13.215 7.629 -12.389) 19.655 3.462 ( 2.695 1.556 0.883) 3.234 5.605 ( -4.433 -2.559 -1.625) 5.371 5.671 ( 1.999 1.154 -4.302) 4.882 5.784 ( -1.552 -0.896 5.978) 6.241 6.042 ( -1.796 -1.037 -7.184) 7.477 6.257 ( -4.826 -2.786 3.744) 6.714 6.448 ( -4.018 -2.320 9.366) 10.452 6.672 ( 1.453 0.839 9.720) 9.864 6.707 ( -2.628 -1.517 -10.210) 10.651 6.806 ( -4.253 -2.455 -1.149) 5.043 7.170 ( -1.690 -0.976 -8.857) 9.069 7.469 ( 0.203 0.117 3.490) 3.497 7.506 ( -1.151 -0.664 9.073) 9.170 7.747 ( -2.237 -1.291 -1.579) 3.027 7.839 ( 0.518 0.299 -6.655) 6.682 7.867 ( -5.443 -3.143 1.414) 6.443 8.157 ( -14.752 -8.517 5.002) 17.753 8.580 ( -5.523 -3.189 -1.132) 6.477 8.612 ( -5.919 -3.417 -3.776) 7.808 8.709 ( -3.355 -1.937 6.339) 7.429 8.760 ( -9.075 -5.240 -0.451) 10.489 8.817 ( -12.286 -7.093 -4.454) 14.869 8.969 ( 1.422 0.821 -3.112) 3.519 9.098 ( -4.888 -2.822 4.957) 7.512 9.259 ( 2.508 1.448 -9.783) 10.203 9.509 ( -13.037 -7.527 -5.101) 15.895 9.630 ( 1.629 0.941 5.817) 6.113 9.633 ( 6.452 3.725 -8.673) 11.433 9.840 ( -1.618 -0.934 2.478) 3.103 9.938 ( -10.328 -5.963 1.444) 12.013 10.000 ( -2.469 -1.426 16.345) 16.592 10.169 ( -2.394 -1.382 11.584) 11.909 10.422 ( 8.208 4.739 -4.793) 10.621 10.520 ( 1.733 1.001 -0.277) 2.020 10.600 ( -3.107 -1.794 9.260) 9.931 10.702 ( -3.330 -1.923 -2.053) 4.359 10.774 ( -1.112 -0.642 -1.018) 1.639 11.001 ( -10.592 -6.115 -4.070) 12.890 11.069 ( -0.801 -0.462 2.873) 3.018 11.340 ( 0.962 0.555 -10.861) 10.917 11.343 ( 4.160 2.402 0.743) 4.860 11.587 ( 1.460 0.843 -2.652) 3.143 11.618 ( 2.697 1.557 -0.907) 3.244 11.702 ( -2.429 -1.402 3.505) 4.489 11.723 ( -2.501 -1.444 4.309) 5.188 11.798 ( 13.477 7.781 4.687) 16.252 11.989 ( 4.296 2.480 -1.571) 5.203 12.266 ( 2.696 1.557 1.482) 3.448 12.269 ( 1.972 1.138 3.666) 4.315 12.417 ( -4.372 -2.524 -1.388) 5.236 12.485 ( 0.630 0.363 -6.744) 6.783 13.012 ( 5.100 2.944 2.290) 6.318 13.164 ( 14.968 8.642 0.489) 17.291 13.166 ( -2.976 -1.718 6.669) 7.503 13.446 ( -12.680 -7.321 -9.609) 17.513 13.533 ( -2.108 -1.217 -3.186) 4.009 13.565 ( 3.401 1.964 5.904) 7.091 14.314 ( 3.920 2.263 0.443) 4.548 14.325 ( 3.649 2.107 -0.424) 4.235 15.852 ( 13.040 7.528 5.653) 16.083 15.951 ( -1.066 -0.615 -3.211) 3.439 16.761 ( -11.388 -6.575 -0.883) 13.179 16.845 ( -20.446 -11.804 -0.539) 23.615 17.017 ( -2.846 -1.643 -0.347) 3.304 17.051 ( -2.166 -1.250 1.135) 2.746 17.450 ( -8.809 -5.086 2.762) 10.540 17.625 ( -11.212 -6.473 -5.125) 13.924 18.456 ( -12.194 -7.040 1.278) 14.139 18.529 ( -7.684 -4.436 -1.408) 8.984 18.842 ( 7.558 4.363 -0.641) 8.750 18.892 ( 7.180 4.145 -0.129) 8.292 20.067 ( -0.566 -0.327 -0.351) 0.742 20.095 ( 1.179 0.681 0.214) 1.378 20.308 ( 9.108 5.259 -1.728) 10.658 20.412 ( 11.971 6.912 0.915) 13.854 21.822 ( 26.121 15.081 8.597) 31.363 22.431 ( 15.481 8.938 -24.627) 30.431 23.486 ( -8.271 -4.775 9.633) 13.565 23.739 ( -7.989 -4.613 -4.316) 10.185 23.896 ( -3.512 -2.028 3.278) 5.214 23.999 ( -3.111 -1.796 -1.617) 3.940 ======================= Grid point 136 (20/58) ======================= q-point: ( 0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.069 ( 19.473 11.243 17.540) 28.518 2.237 ( 23.867 13.779 11.483) 29.855 2.271 ( 14.688 8.480 -9.217) 19.303 2.752 ( 10.966 6.331 -18.872) 22.726 3.161 ( -1.326 -0.766 -7.835) 7.983 3.211 ( 9.252 5.342 -2.247) 10.917 3.224 ( 7.231 4.175 4.608) 9.537 3.323 ( 8.248 4.762 1.295) 9.612 3.700 ( 20.945 12.092 3.776) 24.478 3.722 ( 8.082 4.666 4.642) 10.423 5.487 ( -5.564 -3.212 0.214) 6.428 5.738 ( 2.792 1.612 -6.734) 7.466 5.766 ( 0.520 0.300 5.054) 5.089 5.980 ( -4.407 -2.544 -4.613) 6.868 6.149 ( -3.954 -2.283 4.613) 6.491 6.337 ( -5.319 -3.071 0.183) 6.144 6.573 ( -8.949 -5.167 -9.286) 13.893 6.625 ( -9.311 -5.376 4.893) 11.813 6.690 ( -0.525 -0.303 7.348) 7.372 7.113 ( -5.016 -2.896 1.633) 6.018 7.446 ( -4.777 -2.758 0.988) 5.603 7.456 ( -7.573 -4.372 3.681) 9.488 7.564 ( 1.610 0.929 -4.928) 5.267 7.629 ( -10.815 -6.244 -3.368) 12.934 7.996 ( 9.071 5.237 -0.817) 10.506 8.070 ( 2.577 1.488 -6.338) 7.002 8.411 ( -8.309 -4.797 3.475) 10.205 8.467 ( -4.898 -2.828 -4.731) 7.374 8.505 ( -8.685 -5.014 2.281) 10.284 8.635 ( -6.622 -3.823 6.381) 9.959 8.654 ( -3.044 -1.757 0.880) 3.623 8.960 ( -2.279 -1.316 4.605) 5.303 9.001 ( -1.497 -0.864 0.267) 1.749 9.263 ( -6.826 -3.941 -6.308) 10.096 9.303 ( 0.792 0.457 -6.875) 6.935 9.577 ( -6.370 -3.678 3.083) 7.975 9.743 ( -2.691 -1.554 -3.360) 4.577 9.791 ( -1.866 -1.077 1.598) 2.683 9.841 ( 1.967 1.135 4.334) 4.893 9.852 ( -2.323 -1.341 5.899) 6.481 10.203 ( 1.212 0.700 -3.422) 3.697 10.482 ( -1.610 -0.930 5.526) 5.831 10.553 ( -5.276 -3.046 -7.657) 9.785 10.615 ( -1.454 -0.839 -2.121) 2.704 10.682 ( 7.838 4.525 6.799) 11.320 10.818 ( -1.416 -0.817 -0.766) 1.805 10.851 ( 5.896 3.404 0.284) 6.814 11.006 ( -2.271 -1.311 5.712) 6.285 11.342 ( -0.820 -0.473 -10.476) 10.519 11.349 ( -2.974 -1.717 0.336) 3.451 11.551 ( -1.184 -0.683 0.126) 1.373 11.642 ( -1.840 -1.062 4.271) 4.770 11.692 ( 1.988 1.148 0.930) 2.477 11.698 ( -1.242 -0.717 2.536) 2.913 12.048 ( 0.620 0.358 -4.146) 4.208 12.092 ( 11.030 6.368 2.938) 13.070 12.294 ( -1.568 -0.905 0.313) 1.838 12.356 ( 1.833 1.058 3.491) 4.083 12.401 ( 4.699 2.713 0.125) 5.428 12.498 ( 1.942 1.121 -5.215) 5.676 13.047 ( -1.203 -0.694 1.217) 1.847 13.126 ( -8.037 -4.640 -4.271) 10.215 13.212 ( 6.598 3.809 -1.419) 7.750 13.332 ( -3.885 -2.243 2.130) 4.966 13.656 ( 3.585 2.070 5.759) 7.093 13.694 ( 11.827 6.829 -4.720) 14.450 14.419 ( 4.214 2.433 0.382) 4.881 14.421 ( 5.145 2.970 -0.326) 5.950 15.827 ( -8.500 -4.908 -1.872) 9.992 15.931 ( -7.549 -4.358 2.397) 9.040 16.338 ( -16.469 -9.509 -1.204) 19.055 16.492 ( -12.037 -6.950 1.152) 13.947 16.976 ( -0.143 -0.083 -0.588) 0.611 17.037 ( 0.965 0.557 0.498) 1.220 17.426 ( -5.382 -3.107 -3.208) 6.994 17.444 ( 3.457 1.996 3.678) 5.428 18.184 ( -10.325 -5.961 2.691) 12.222 18.343 ( -7.898 -4.560 -3.099) 9.632 19.051 ( 9.941 5.740 0.010) 11.479 19.101 ( 10.410 6.010 -0.640) 12.037 20.033 ( -2.563 -1.480 0.313) 2.976 20.105 ( -0.667 -0.385 -0.088) 0.775 20.544 ( 10.747 6.205 -1.285) 12.476 20.702 ( 12.286 7.094 0.897) 14.215 22.289 ( 14.420 8.326 7.351) 18.201 22.687 ( 7.603 4.390 -13.605) 16.192 23.293 ( -8.326 -4.807 6.061) 11.365 23.499 ( -12.097 -6.984 -2.347) 14.164 23.842 ( -1.131 -0.653 1.598) 2.064 23.922 ( -3.265 -1.885 -1.254) 3.974 ======================= Grid point 137 (21/58) ======================= q-point: ( 0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.502 ( 17.437 10.067 9.254) 22.160 2.607 ( 12.986 7.498 -0.718) 15.012 2.736 ( 17.976 10.379 7.570) 22.095 2.990 ( 9.063 5.233 -11.311) 15.410 3.142 ( -0.222 -0.128 -6.480) 6.485 3.308 ( 0.809 0.467 1.692) 1.933 3.388 ( 5.317 3.070 -7.114) 9.397 3.403 ( 0.894 0.516 3.024) 3.195 3.848 ( 3.448 1.991 9.552) 10.349 4.119 ( 11.114 6.417 -3.543) 13.313 5.352 ( -5.283 -3.050 3.093) 6.840 5.754 ( -4.038 -2.331 1.215) 4.818 5.803 ( -7.978 -4.606 -1.684) 9.365 5.822 ( 3.663 2.115 1.302) 4.426 6.091 ( -0.563 -0.325 5.496) 5.535 6.147 ( -9.306 -5.373 -10.048) 14.712 6.318 ( -11.564 -6.676 -8.714) 15.945 6.525 ( 0.149 0.086 3.904) 3.907 6.659 ( -1.168 -0.674 1.096) 1.738 6.845 ( -15.477 -8.936 9.438) 20.210 7.288 ( -5.261 -3.037 5.283) 8.051 7.370 ( 0.122 0.070 -8.066) 8.067 7.534 ( -0.036 -0.021 3.416) 3.417 7.695 ( 6.605 3.814 -7.173) 10.470 8.073 ( -3.773 -2.178 -6.603) 7.911 8.203 ( 5.756 3.323 5.071) 8.360 8.206 ( -5.007 -2.891 5.003) 7.646 8.407 ( -6.391 -3.690 -5.036) 8.934 8.434 ( 0.941 0.543 -1.335) 1.721 8.496 ( 3.669 2.118 2.726) 5.038 8.617 ( 0.985 0.569 4.048) 4.204 8.938 ( -0.637 -0.368 3.180) 3.264 8.954 ( -3.405 -1.966 -1.921) 4.376 9.148 ( -3.862 -2.230 -2.037) 4.902 9.268 ( -4.659 -2.690 -1.518) 5.590 9.482 ( -0.200 -0.116 4.490) 4.496 9.576 ( -6.302 -3.639 -1.014) 7.348 9.749 ( -1.305 -0.754 0.384) 1.555 9.895 ( 1.439 0.831 -0.544) 1.748 9.906 ( 3.075 1.775 -4.693) 5.885 10.138 ( -6.113 -3.530 -3.299) 7.792 10.284 ( -12.509 -7.222 0.094) 14.444 10.515 ( 2.384 1.376 0.403) 2.782 10.651 ( 2.465 1.423 2.285) 3.650 10.737 ( -4.786 -2.763 -2.742) 6.169 10.871 ( 7.188 4.150 5.009) 9.695 10.999 ( 6.020 3.475 -0.712) 6.987 11.063 ( 4.156 2.400 5.212) 7.085 11.292 ( 0.060 0.034 -1.160) 1.162 11.309 ( -2.332 -1.346 -3.050) 4.068 11.548 ( 0.206 0.119 -1.379) 1.400 11.628 ( 1.576 0.910 5.745) 6.026 11.656 ( -0.718 -0.415 1.557) 1.764 11.713 ( -1.649 -0.952 -2.121) 2.850 12.024 ( -2.354 -1.359 -3.489) 4.423 12.227 ( 0.376 0.217 -1.121) 1.203 12.301 ( -4.065 -2.347 5.718) 7.398 12.347 ( 6.249 3.608 -0.335) 7.223 12.521 ( 4.273 2.467 0.219) 4.939 12.612 ( 5.962 3.442 -2.528) 7.334 12.969 ( -5.619 -3.244 -0.467) 6.505 13.009 ( -1.933 -1.116 -0.938) 2.421 13.255 ( -1.482 -0.856 1.900) 2.557 13.394 ( 7.440 4.295 -7.425) 11.354 13.717 ( 1.750 1.010 6.667) 6.966 13.899 ( 4.926 2.844 -1.588) 5.906 14.516 ( 3.912 2.258 1.050) 4.637 14.550 ( 5.592 3.229 -1.339) 6.595 15.614 ( -8.458 -4.883 -1.785) 9.928 15.642 ( -11.948 -6.898 2.004) 13.941 16.071 ( -9.065 -5.234 -2.309) 10.719 16.197 ( -12.314 -7.109 2.485) 14.434 17.007 ( 2.286 1.320 0.287) 2.655 17.076 ( 1.806 1.043 -0.444) 2.133 17.370 ( 0.098 0.057 -1.116) 1.122 17.524 ( 2.662 1.537 1.462) 3.404 17.991 ( -5.941 -3.430 2.773) 7.399 18.168 ( -6.728 -3.884 -3.122) 8.373 19.292 ( 10.274 5.932 1.569) 11.967 19.363 ( 11.514 6.648 -1.636) 13.396 19.944 ( -4.911 -2.835 0.900) 5.742 20.052 ( -4.011 -2.316 -0.638) 4.676 20.795 ( 10.129 5.848 -0.452) 11.705 20.964 ( 9.376 5.413 0.376) 10.833 22.540 ( 7.882 4.551 5.896) 10.844 22.820 ( 4.154 2.398 -9.284) 10.450 23.104 ( -7.336 -4.236 2.683) 8.886 23.198 ( -12.868 -7.429 0.019) 14.858 23.833 ( 0.057 0.033 0.167) 0.180 23.853 ( -2.468 -1.425 -0.174) 2.855 ======================= Grid point 138 (22/58) ======================= q-point: ( 0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 4.924 2.843 7.488) 9.402 2.891 ( 14.219 8.210 -0.411) 16.424 3.040 ( 6.825 3.940 0.736) 7.915 3.103 ( -2.083 -1.203 -0.417) 2.441 3.181 ( 5.291 3.055 -4.921) 7.845 3.249 ( -5.992 -3.459 2.489) 7.352 3.390 ( -1.852 -1.069 1.766) 2.773 3.477 ( 2.938 1.696 -8.566) 9.214 3.909 ( 1.985 1.146 8.274) 8.585 4.238 ( 0.693 0.400 -6.053) 6.106 5.285 ( 0.301 0.174 5.543) 5.554 5.515 ( -8.767 -5.062 4.065) 10.909 5.761 ( 0.043 0.025 -0.338) 0.342 5.875 ( 0.481 0.278 -3.931) 3.970 5.988 ( -3.732 -2.155 -9.931) 10.825 6.034 ( -7.670 -4.428 -8.931) 12.577 6.203 ( 5.868 3.388 8.989) 11.256 6.506 ( -2.296 -1.326 1.932) 3.280 6.536 ( -9.164 -5.291 8.283) 13.438 6.697 ( 4.570 2.638 -7.726) 9.356 7.181 ( -4.500 -2.598 8.950) 10.349 7.390 ( 1.000 0.578 -4.042) 4.204 7.563 ( 1.163 0.672 3.698) 3.934 7.808 ( 2.272 1.311 -5.496) 6.090 7.960 ( -2.801 -1.617 5.128) 6.062 8.158 ( -4.719 -2.725 -0.483) 5.470 8.201 ( 2.198 1.269 -2.459) 3.534 8.351 ( 0.775 0.447 -7.088) 7.144 8.507 ( -1.198 -0.691 6.944) 7.080 8.656 ( 13.174 7.606 1.092) 15.251 8.764 ( 9.079 5.242 -0.312) 10.489 8.825 ( -6.610 -3.816 -4.062) 8.646 8.905 ( -2.402 -1.387 2.559) 3.774 9.073 ( -11.196 -6.464 0.426) 12.935 9.094 ( -0.590 -0.340 2.911) 2.989 9.485 ( -2.343 -1.353 -6.816) 7.333 9.559 ( 6.047 3.491 3.281) 7.714 9.736 ( 0.115 0.066 -3.288) 3.291 9.909 ( 0.216 0.125 -4.502) 4.509 9.938 ( -4.850 -2.800 -4.021) 6.895 10.007 ( -10.787 -6.228 7.003) 14.289 10.025 ( 2.321 1.340 -0.229) 2.690 10.537 ( 0.082 0.047 1.466) 1.469 10.610 ( -2.607 -1.505 0.354) 3.031 10.784 ( 5.222 3.015 3.052) 6.758 10.943 ( -0.406 -0.234 2.990) 3.027 11.124 ( 1.322 0.763 2.303) 2.763 11.177 ( 8.143 4.702 -5.376) 10.831 11.212 ( -5.249 -3.030 2.139) 6.427 11.335 ( 1.745 1.007 -5.486) 5.844 11.557 ( 0.700 0.404 -1.360) 1.582 11.597 ( -6.581 -3.800 -0.913) 7.654 11.681 ( 1.807 1.043 2.809) 3.499 11.743 ( 7.314 4.223 8.483) 11.970 11.944 ( -4.265 -2.462 -4.550) 6.705 12.229 ( -1.794 -1.036 8.660) 8.904 12.239 ( 0.626 0.362 -7.107) 7.144 12.442 ( 1.774 1.024 -2.805) 3.473 12.569 ( -0.610 -0.352 3.751) 3.817 12.728 ( 3.051 1.762 -3.194) 4.755 12.874 ( -1.812 -1.046 2.110) 2.971 12.961 ( -1.683 -0.972 -1.598) 2.516 13.269 ( 1.872 1.081 1.864) 2.854 13.499 ( 0.850 0.491 -8.975) 9.029 13.767 ( 2.883 1.665 6.727) 7.506 13.937 ( -0.761 -0.439 -0.480) 1.001 14.591 ( 2.102 1.214 1.001) 2.626 14.661 ( 3.140 1.813 -2.447) 4.374 15.462 ( -3.449 -1.991 0.885) 4.080 15.465 ( -3.818 -2.204 0.352) 4.422 15.904 ( -3.902 -2.253 -0.362) 4.520 15.965 ( -6.413 -3.703 0.335) 7.413 17.059 ( 1.705 0.985 0.381) 2.005 17.103 ( 0.274 0.158 -0.562) 0.645 17.401 ( 1.964 1.134 1.816) 2.906 17.554 ( -0.264 -0.152 -1.159) 1.198 17.907 ( -1.238 -0.715 2.069) 2.515 18.046 ( -3.170 -1.830 -2.999) 4.732 19.506 ( 6.614 3.819 3.282) 8.313 19.615 ( 8.965 5.176 -2.652) 10.686 19.820 ( -4.424 -2.554 0.944) 5.195 19.919 ( -6.645 -3.836 -1.152) 7.759 20.990 ( 5.687 3.284 0.876) 6.625 21.111 ( 2.604 1.504 -0.924) 3.146 22.691 ( 5.237 3.023 4.693) 7.654 22.897 ( 2.672 1.542 -5.957) 6.709 22.928 ( -9.116 -5.263 1.574) 10.644 22.970 ( -3.735 -2.156 -0.718) 4.372 23.812 ( -0.984 -0.568 0.760) 1.367 23.837 ( 0.187 0.108 -0.545) 0.586 ======================= Grid point 139 (23/58) ======================= q-point: (-0.45 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.772 ( -9.137 -5.276 6.762) 12.532 2.907 ( -12.515 -7.226 -3.142) 14.789 3.031 ( -7.532 -4.349 4.802) 9.935 3.117 ( -1.496 -0.863 -2.096) 2.716 3.188 ( 5.691 3.286 0.032) 6.571 3.287 ( 3.691 2.131 -0.843) 4.345 3.318 ( -3.692 -2.132 -1.805) 4.630 3.517 ( -0.177 -0.102 -5.380) 5.384 3.933 ( -0.594 -0.343 8.966) 8.993 4.214 ( -2.251 -1.300 -6.834) 7.311 5.363 ( 5.572 3.217 9.268) 11.282 5.433 ( 1.989 1.148 -0.329) 2.320 5.795 ( 2.672 1.543 1.866) 3.606 5.843 ( -5.331 -3.078 -4.465) 7.605 5.933 ( 2.568 1.483 -6.101) 6.783 5.984 ( 3.398 1.962 -8.762) 9.601 6.406 ( 9.828 5.674 7.240) 13.461 6.446 ( -2.240 -1.293 -2.082) 3.320 6.447 ( 1.754 1.012 5.355) 5.725 6.855 ( 8.765 5.060 -8.279) 13.075 7.066 ( -5.221 -3.014 11.335) 12.838 7.422 ( 1.750 1.010 -2.284) 3.050 7.539 ( -3.089 -1.783 3.059) 4.699 7.826 ( 0.416 0.240 -4.804) 4.828 7.983 ( 4.604 2.658 8.403) 9.944 8.055 ( -5.445 -3.144 -4.784) 7.900 8.276 ( 4.338 2.505 -3.961) 6.386 8.349 ( -0.596 -0.344 -5.159) 5.205 8.488 ( -0.419 -0.242 9.603) 9.615 8.696 ( -3.601 -2.079 -3.810) 5.640 8.780 ( -13.012 -7.512 -1.520) 15.102 8.826 ( -4.234 -2.444 1.165) 5.026 8.962 ( 10.625 6.134 3.858) 12.861 8.975 ( 8.408 4.854 -2.745) 10.089 9.127 ( 4.619 2.667 5.502) 7.663 9.436 ( -1.968 -1.136 -8.760) 9.050 9.662 ( -2.899 -1.674 7.473) 8.189 9.744 ( 0.122 0.071 -7.466) 7.468 9.814 ( -3.360 -1.940 -1.488) 4.155 9.869 ( 3.717 2.146 -0.940) 4.394 9.922 ( 1.734 1.001 -1.493) 2.497 10.146 ( 5.762 3.327 2.433) 7.085 10.566 ( 2.805 1.620 2.320) 3.985 10.587 ( 0.135 0.078 -0.499) 0.523 10.869 ( 1.494 0.863 6.860) 7.074 10.891 ( -3.925 -2.266 -1.024) 4.647 11.081 ( -3.872 -2.235 -0.670) 4.520 11.196 ( 4.138 2.389 1.432) 4.988 11.238 ( -3.670 -2.119 -2.813) 5.087 11.356 ( -1.197 -0.691 -6.192) 6.344 11.485 ( -1.638 -0.946 2.559) 3.182 11.576 ( 0.882 0.509 -0.089) 1.023 11.708 ( 0.551 0.318 4.314) 4.361 11.809 ( -2.064 -1.192 0.874) 2.539 11.987 ( 8.727 5.039 0.640) 10.098 12.201 ( -1.028 -0.593 8.655) 8.736 12.222 ( -2.707 -1.563 -11.461) 11.879 12.471 ( 1.357 0.783 -2.685) 3.108 12.500 ( -4.671 -2.697 6.051) 8.105 12.710 ( -4.309 -2.488 -3.240) 5.937 12.889 ( 2.710 1.565 2.014) 3.721 12.966 ( 1.714 0.989 -1.605) 2.548 13.291 ( -0.670 -0.387 2.741) 2.848 13.465 ( -2.438 -1.408 -8.585) 9.035 13.815 ( 0.017 0.010 6.813) 6.813 13.910 ( -1.013 -0.585 -1.802) 2.149 14.594 ( -2.030 -1.172 0.901) 2.511 14.670 ( -2.445 -1.412 -2.360) 3.680 15.454 ( 2.469 1.425 0.781) 2.956 15.465 ( 4.515 2.607 0.479) 5.236 15.923 ( 2.702 1.560 -1.345) 3.397 15.939 ( 6.963 4.020 1.317) 8.147 17.070 ( -0.886 -0.512 0.875) 1.346 17.091 ( -1.130 -0.653 -1.054) 1.678 17.442 ( 1.393 0.804 3.658) 3.996 17.509 ( -3.462 -1.999 -2.995) 4.995 17.927 ( 2.719 1.570 2.587) 4.068 18.040 ( 2.763 1.595 -3.529) 4.758 19.493 ( -6.999 -4.041 2.759) 8.540 19.625 ( -9.184 -5.302 -2.125) 10.816 19.843 ( 5.624 3.247 2.057) 6.812 19.892 ( 5.482 3.165 -2.265) 6.723 21.032 ( -2.335 -1.348 2.617) 3.758 21.074 ( -5.566 -3.213 -2.666) 6.958 22.679 ( -6.073 -3.506 4.238) 8.193 22.896 ( -2.136 -1.233 -4.942) 5.524 22.918 ( 8.172 4.718 1.023) 9.492 22.993 ( 4.963 2.865 -0.728) 5.777 23.809 ( 0.771 0.445 0.666) 1.112 23.839 ( -0.010 -0.006 -0.449) 0.449 ======================= Grid point 140 (24/58) ======================= q-point: (-0.36 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -18.720 -10.808 10.166) 23.887 2.528 ( -19.328 -11.159 -2.756) 22.487 2.855 ( -7.063 -4.078 8.472) 11.759 3.004 ( -7.842 -4.528 -6.719) 11.276 3.090 ( -10.380 -5.993 -8.679) 14.798 3.339 ( 1.553 0.897 -0.988) 2.048 3.356 ( 2.147 1.239 -0.102) 2.481 3.470 ( -3.339 -1.928 -4.613) 6.012 3.852 ( -6.504 -3.755 11.453) 13.695 4.101 ( -9.174 -5.296 -4.242) 11.411 5.507 ( 5.982 3.454 10.879) 12.886 5.561 ( 6.733 3.887 -5.755) 9.673 5.701 ( -5.680 -3.280 -1.819) 6.807 5.851 ( 1.655 0.955 -0.645) 2.017 6.064 ( 6.810 3.932 1.043) 7.932 6.135 ( 8.883 5.129 -6.034) 11.900 6.431 ( 1.410 0.814 -3.432) 3.799 6.588 ( 10.299 5.946 -3.582) 12.420 6.660 ( 10.658 6.153 5.603) 13.522 6.931 ( -5.770 -3.331 13.034) 14.638 7.112 ( 12.327 7.117 -4.470) 14.919 7.453 ( 0.851 0.491 -3.156) 3.305 7.490 ( 0.731 0.422 1.778) 1.968 7.855 ( 1.477 0.853 -4.451) 4.766 7.888 ( -6.826 -3.941 -5.207) 9.446 8.149 ( 8.846 5.107 6.302) 12.002 8.373 ( 3.053 1.763 -0.736) 3.601 8.379 ( -7.951 -4.590 -2.539) 9.526 8.439 ( 5.764 3.328 2.468) 7.099 8.581 ( -0.366 -0.211 6.281) 6.295 8.647 ( -0.863 -0.498 -5.446) 5.537 8.712 ( -5.050 -2.916 1.431) 6.005 9.077 ( 1.619 0.935 4.948) 5.289 9.150 ( 6.406 3.698 -4.904) 8.875 9.360 ( 12.425 7.173 5.996) 15.549 9.400 ( -0.772 -0.446 -9.295) 9.337 9.533 ( -4.854 -2.803 8.937) 10.549 9.737 ( -0.272 -0.157 -9.437) 9.442 9.795 ( 1.007 0.582 1.975) 2.292 9.890 ( -1.689 -0.975 -0.398) 1.990 10.149 ( 13.162 7.599 -5.297) 16.095 10.256 ( 3.245 1.873 2.410) 4.455 10.586 ( 0.116 0.067 -2.095) 2.099 10.621 ( -0.549 -0.317 4.263) 4.310 10.799 ( -2.305 -1.331 -3.682) 4.543 10.896 ( 0.470 0.271 2.952) 3.001 11.010 ( -1.531 -0.884 1.469) 2.298 11.080 ( -9.498 -5.484 6.873) 12.943 11.277 ( -1.860 -1.074 -4.252) 4.763 11.315 ( 4.808 2.776 -1.460) 5.740 11.495 ( 1.302 0.752 0.328) 1.539 11.602 ( 1.618 0.934 2.173) 2.865 11.727 ( 1.277 0.737 3.403) 3.709 11.788 ( -0.821 -0.474 -1.874) 2.100 12.110 ( -6.491 -3.747 -8.748) 11.519 12.172 ( 2.792 1.612 3.197) 4.540 12.180 ( 2.562 1.479 3.044) 4.245 12.374 ( -5.576 -3.219 5.563) 8.509 12.488 ( -0.776 -0.448 -2.256) 2.427 12.578 ( -5.940 -3.429 -2.496) 7.299 12.991 ( 5.819 3.360 0.234) 6.723 12.994 ( 0.431 0.249 -1.550) 1.629 13.255 ( -1.303 -0.752 1.295) 1.986 13.429 ( -0.367 -0.212 -7.117) 7.129 13.730 ( -7.622 -4.400 7.781) 11.747 13.879 ( -2.369 -1.368 -2.353) 3.608 14.513 ( -4.266 -2.463 0.666) 4.971 14.568 ( -5.571 -3.217 -0.961) 6.505 15.585 ( 8.900 5.139 -0.482) 10.288 15.675 ( 12.154 7.017 0.738) 14.054 16.069 ( 9.469 5.467 -2.736) 11.270 16.179 ( 11.794 6.809 2.876) 13.919 17.032 ( -1.756 -1.014 1.459) 2.499 17.049 ( -2.625 -1.515 -1.613) 3.433 17.412 ( -3.981 -2.298 -3.124) 5.558 17.471 ( 1.257 0.726 3.485) 3.775 18.028 ( 5.891 3.401 3.684) 7.736 18.161 ( 6.923 3.997 -4.055) 8.964 19.286 ( -9.615 -5.551 1.601) 11.217 19.358 ( -12.301 -7.102 -1.656) 14.300 19.977 ( 4.914 2.837 2.455) 6.183 20.013 ( 3.964 2.288 -2.200) 5.078 20.875 ( -10.664 -6.157 -3.719) 12.863 20.893 ( -8.816 -5.090 3.649) 10.814 22.517 ( -8.042 -4.643 5.005) 10.549 22.828 ( -3.936 -2.272 -7.970) 9.175 23.144 ( 7.472 4.314 3.528) 9.321 23.172 ( 12.571 7.258 -1.248) 14.569 23.839 ( 0.173 0.100 0.460) 0.502 23.847 ( 2.365 1.366 -0.468) 2.771 ======================= Grid point 141 (25/58) ======================= q-point: (-0.27 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.949 ( -21.141 -12.206 15.651) 28.998 2.018 ( -23.826 -13.756 0.251) 27.513 2.674 ( -10.028 -5.790 0.888) 11.613 2.750 ( -13.902 -8.026 -11.385) 19.680 2.828 ( -9.522 -5.498 -3.130) 11.432 3.336 ( -1.181 -0.682 -3.856) 4.090 3.374 ( -4.225 -2.439 -9.650) 10.814 3.393 ( 0.426 0.246 2.564) 2.611 3.636 ( -11.487 -6.632 9.589) 16.367 3.683 ( -27.642 -15.959 4.428) 32.224 5.574 ( -0.127 -0.073 1.553) 1.560 5.639 ( -0.234 -0.135 -8.335) 8.339 5.678 ( 4.177 2.412 5.792) 7.537 5.923 ( 4.895 2.826 -3.758) 6.787 6.219 ( 6.302 3.639 6.543) 9.786 6.346 ( 7.491 4.325 -5.051) 10.017 6.505 ( 4.443 2.565 0.033) 5.131 6.778 ( -6.913 -3.991 9.766) 12.613 6.827 ( 6.931 4.002 -4.733) 9.298 6.898 ( 10.218 5.899 0.034) 11.799 7.405 ( 10.408 6.009 3.220) 12.442 7.488 ( 0.279 0.161 -0.699) 0.770 7.617 ( 12.218 7.054 -4.310) 14.752 7.777 ( -0.082 -0.047 7.895) 7.895 7.926 ( 3.365 1.943 -13.354) 13.908 8.092 ( -12.094 -6.982 -3.462) 14.387 8.382 ( 10.334 5.967 0.034) 11.933 8.469 ( 3.592 2.074 4.550) 6.157 8.628 ( -0.219 -0.126 0.149) 0.293 8.650 ( 4.952 2.859 7.385) 9.340 8.672 ( 3.703 2.138 -6.173) 7.510 8.680 ( 11.624 6.711 4.900) 14.289 9.096 ( -0.092 -0.053 3.232) 3.234 9.252 ( 1.735 1.002 -7.737) 7.992 9.415 ( 1.784 1.030 -9.274) 9.500 9.468 ( -0.247 -0.143 4.672) 4.681 9.631 ( 9.051 5.226 5.542) 11.830 9.742 ( 1.485 0.858 -3.479) 3.878 9.839 ( -0.768 -0.443 5.202) 5.277 9.850 ( 3.170 1.830 2.715) 4.557 10.297 ( 0.730 0.422 1.621) 1.827 10.422 ( 9.010 5.202 -9.422) 14.036 10.502 ( -9.018 -5.207 5.356) 11.710 10.644 ( 4.717 2.723 -1.245) 5.587 10.758 ( -1.373 -0.793 3.591) 3.925 10.824 ( -5.510 -3.181 -1.717) 6.590 10.913 ( -2.969 -1.714 7.661) 8.393 11.027 ( 1.680 0.970 -1.239) 2.302 11.296 ( 2.123 1.226 -4.677) 5.280 11.418 ( 4.046 2.336 -4.399) 6.417 11.528 ( 1.306 0.754 -0.576) 1.614 11.651 ( 1.909 1.102 4.415) 4.934 11.743 ( -0.775 -0.447 3.053) 3.181 11.744 ( -2.296 -1.326 1.847) 3.231 11.945 ( -6.952 -4.014 -1.951) 8.261 12.128 ( -4.181 -2.414 0.284) 4.836 12.262 ( -3.539 -2.043 1.609) 4.392 12.271 ( 1.936 1.118 -0.239) 2.248 12.431 ( -3.036 -1.753 0.120) 3.508 12.476 ( -2.083 -1.203 -3.233) 4.030 13.008 ( 1.477 0.853 0.292) 1.730 13.141 ( 5.641 3.257 -2.878) 7.121 13.267 ( 2.833 1.636 -2.313) 4.007 13.426 ( -3.706 -2.140 2.473) 4.943 13.478 ( -9.819 -5.669 1.376) 11.422 13.781 ( -5.505 -3.178 -0.355) 6.366 14.415 ( -3.932 -2.270 0.067) 4.541 14.431 ( -5.773 -3.333 -0.010) 6.666 15.833 ( 9.135 5.274 -2.058) 10.747 15.927 ( 7.321 4.227 2.558) 8.833 16.387 ( 17.640 10.184 -3.435) 20.656 16.437 ( 10.755 6.209 3.402) 12.876 16.984 ( -1.619 -0.935 -1.358) 2.311 17.011 ( 0.212 0.122 1.288) 1.311 17.362 ( 0.168 0.097 -0.219) 0.292 17.516 ( 2.981 1.721 0.669) 3.507 18.207 ( 9.410 5.433 3.317) 11.361 18.340 ( 7.939 4.584 -3.734) 9.899 19.064 ( -9.067 -5.235 0.816) 10.501 19.080 ( -10.930 -6.310 -1.430) 12.701 20.061 ( 2.169 1.252 1.640) 2.994 20.072 ( 1.119 0.646 -1.438) 1.933 20.603 ( -12.047 -6.955 -3.639) 14.379 20.651 ( -11.210 -6.472 3.269) 13.351 22.266 ( -14.234 -8.218 6.481) 17.667 22.697 ( -7.628 -4.404 -12.478) 15.273 23.325 ( 7.675 4.431 6.919) 11.244 23.473 ( 12.333 7.121 -3.433) 14.649 23.854 ( 1.275 0.736 1.940) 2.436 23.916 ( 3.354 1.936 -1.626) 4.200 ======================= Grid point 142 (26/58) ======================= q-point: (-0.18 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( -25.764 -14.875 5.920) 30.333 1.459 ( -20.067 -11.585 24.520) 33.736 2.354 ( -19.381 -11.190 -15.778) 27.382 2.355 ( -15.402 -8.893 -19.934) 26.715 2.705 ( -2.236 -1.291 15.916) 16.124 2.826 ( -43.261 -24.977 14.924) 52.135 3.229 ( -8.352 -4.822 0.430) 9.653 3.316 ( -0.307 -0.177 -6.611) 6.620 3.354 ( -10.539 -6.085 -7.986) 14.556 3.408 ( 0.013 0.007 -1.763) 1.763 5.612 ( 3.127 1.805 -1.343) 3.852 5.628 ( 0.185 0.107 -4.284) 4.289 5.771 ( 3.165 1.827 6.210) 7.206 6.029 ( 3.468 2.002 -6.613) 7.731 6.355 ( 4.912 2.836 7.973) 9.785 6.432 ( -0.341 -0.197 -0.884) 0.968 6.614 ( 4.171 2.408 10.114) 11.202 6.667 ( -0.902 -0.521 -2.759) 2.949 6.899 ( 0.227 0.131 -5.800) 5.806 7.109 ( 6.962 4.019 -4.808) 9.367 7.475 ( -1.063 -0.613 1.457) 1.905 7.522 ( 1.094 0.631 6.530) 6.651 7.823 ( -0.011 -0.007 1.167) 1.167 7.834 ( -7.794 -4.500 -4.231) 9.945 8.004 ( 17.280 9.977 -2.724) 20.139 8.028 ( 4.790 2.765 5.094) 7.519 8.577 ( 8.053 4.649 2.647) 9.668 8.630 ( 10.518 6.073 -5.661) 13.400 8.695 ( 5.310 3.066 -0.746) 6.177 8.776 ( 5.130 2.962 5.821) 8.305 8.850 ( 10.023 5.787 -6.802) 13.424 8.944 ( 9.691 5.595 -0.240) 11.193 9.052 ( -3.683 -2.127 1.943) 4.676 9.253 ( -0.841 -0.486 -6.014) 6.092 9.441 ( 0.776 0.448 -8.569) 8.616 9.553 ( 7.478 4.317 -1.740) 8.808 9.677 ( -1.541 -0.890 8.043) 8.238 9.817 ( 3.278 1.892 9.088) 9.845 9.891 ( -0.662 -0.382 -1.014) 1.269 9.991 ( 11.026 6.366 3.319) 13.158 10.285 ( -5.574 -3.218 13.460) 14.919 10.369 ( 6.522 3.766 -0.251) 7.536 10.518 ( -3.745 -2.162 -0.929) 4.423 10.703 ( -0.434 -0.250 -0.838) 0.976 10.752 ( 3.152 1.820 -6.779) 7.695 10.758 ( -0.131 -0.075 6.238) 6.240 10.910 ( 2.537 1.465 9.607) 10.044 11.116 ( 5.556 3.208 -10.326) 12.157 11.310 ( -1.721 -0.994 -3.487) 4.013 11.427 ( -4.284 -2.473 -3.890) 6.293 11.542 ( 0.057 0.033 -1.984) 1.985 11.608 ( -5.398 -3.116 0.265) 6.238 11.730 ( 0.977 0.564 1.859) 2.174 11.736 ( -4.252 -2.455 3.763) 6.186 11.823 ( 2.037 1.176 7.510) 7.869 11.954 ( -9.689 -5.594 -2.884) 11.554 12.209 ( -1.363 -0.787 0.597) 1.684 12.308 ( 1.732 1.000 3.861) 4.349 12.417 ( 2.458 1.419 -1.417) 3.173 12.463 ( 0.145 0.083 -6.073) 6.075 13.075 ( -2.703 -1.561 6.151) 6.898 13.107 ( -10.414 -6.013 -2.321) 12.247 13.110 ( -7.232 -4.176 3.408) 9.020 13.415 ( 8.189 4.728 -5.958) 11.176 13.457 ( 0.407 0.235 0.278) 0.546 13.715 ( 2.871 1.658 0.446) 3.345 14.309 ( -4.498 -2.597 0.259) 5.200 14.329 ( -3.345 -1.931 -0.230) 3.870 15.798 ( -12.639 -7.297 3.408) 14.987 16.003 ( -0.569 -0.328 -0.995) 1.192 16.810 ( 19.696 11.372 -2.770) 22.911 16.812 ( 16.115 9.304 1.274) 18.651 17.008 ( 2.841 1.640 -0.202) 3.287 17.041 ( 2.076 1.198 1.063) 2.622 17.453 ( 10.310 5.953 2.793) 12.228 17.637 ( 8.183 4.725 -5.131) 10.752 18.462 ( 11.788 6.806 1.537) 13.698 18.519 ( 7.152 4.129 -1.655) 8.423 18.864 ( -7.143 -4.124 -1.419) 8.369 18.875 ( -6.738 -3.890 0.644) 7.807 20.075 ( -0.550 -0.317 -0.612) 0.882 20.084 ( 0.021 0.012 0.416) 0.417 20.331 ( -10.725 -6.192 -2.660) 12.666 20.390 ( -10.632 -6.139 1.893) 12.422 21.806 ( -25.799 -14.895 7.965) 30.837 22.439 ( -15.617 -9.016 -23.812) 29.870 23.502 ( 7.575 4.373 9.963) 13.257 23.723 ( 8.615 4.974 -4.556) 10.941 23.906 ( 3.193 1.844 3.219) 4.894 23.996 ( 3.270 1.888 -1.830) 4.196 ======================= Grid point 143 (27/58) ======================= q-point: (-0.09 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -21.580 -12.459 18.011) 30.746 1.029 ( -16.883 -9.747 33.945) 39.145 1.746 ( -44.301 -25.577 33.741) 61.279 1.915 ( -15.195 -8.773 -24.785) 30.367 2.010 ( -13.076 -7.549 -28.127) 31.923 2.712 ( 2.083 1.203 21.900) 22.032 2.989 ( -10.632 -6.139 18.773) 22.431 3.171 ( -5.155 -2.976 -32.496) 33.037 3.330 ( 1.444 0.834 -9.239) 9.388 3.406 ( -0.558 -0.322 -5.109) 5.149 5.647 ( 0.991 0.572 1.899) 2.217 5.687 ( 2.630 1.518 -0.219) 3.045 5.825 ( 1.566 0.904 4.525) 4.873 6.083 ( 1.402 0.809 -8.707) 8.856 6.396 ( -1.149 -0.663 4.705) 4.889 6.425 ( 0.659 0.381 7.164) 7.204 6.689 ( 2.310 1.334 15.295) 15.526 6.713 ( 3.396 1.961 -12.648) 13.242 6.866 ( -2.765 -1.597 -11.023) 11.477 7.211 ( 1.972 1.139 -8.460) 8.761 7.466 ( 0.827 0.477 7.937) 7.994 7.519 ( -0.971 -0.561 9.240) 9.308 7.700 ( -3.015 -1.741 -1.334) 3.729 7.760 ( -3.912 -2.259 -0.399) 4.535 8.131 ( 4.505 2.601 11.258) 12.402 8.419 ( 17.009 9.820 -0.518) 19.647 8.681 ( 1.523 0.879 1.254) 2.160 8.827 ( 4.288 2.476 -4.914) 6.976 8.897 ( 6.378 3.682 -2.810) 7.882 8.912 ( 0.277 0.160 -2.953) 2.970 8.954 ( 3.736 2.157 2.249) 4.865 9.031 ( -3.450 -1.992 -9.769) 10.550 9.101 ( 10.396 6.002 -6.381) 13.595 9.246 ( 0.318 0.183 -7.806) 7.814 9.517 ( 6.559 3.787 5.074) 9.116 9.651 ( 1.461 0.843 8.500) 8.666 9.787 ( 7.991 4.614 -3.091) 9.731 9.820 ( -1.182 -0.682 2.782) 3.099 9.866 ( -1.606 -0.927 7.879) 8.095 10.241 ( 7.490 4.324 -2.748) 9.074 10.342 ( 12.702 7.333 18.838) 23.875 10.396 ( 0.201 0.116 2.146) 2.158 10.620 ( 13.261 7.656 6.960) 16.820 10.658 ( -1.725 -0.996 -3.308) 3.861 10.736 ( -0.753 -0.435 7.927) 7.974 10.863 ( -0.010 -0.006 -1.343) 1.343 10.962 ( -1.379 -0.796 5.566) 5.789 11.175 ( -0.242 -0.140 -9.084) 9.088 11.238 ( -2.631 -1.519 -1.759) 3.511 11.291 ( -4.267 -2.463 -3.946) 6.312 11.447 ( -8.278 -4.779 0.513) 9.572 11.521 ( -6.867 -3.965 -6.291) 10.122 11.667 ( 0.092 0.053 1.162) 1.167 11.700 ( 5.853 3.379 5.039) 8.430 11.864 ( 2.949 1.703 2.448) 4.194 11.931 ( 3.564 2.058 3.785) 5.592 12.182 ( -1.007 -0.582 2.577) 2.828 12.352 ( 1.530 0.884 7.076) 7.293 12.453 ( -1.965 -1.135 -7.176) 7.526 12.506 ( 3.390 1.957 -2.549) 4.672 12.708 ( -20.376 -11.764 1.371) 23.568 12.759 ( -12.504 -7.219 -2.608) 14.672 13.281 ( 8.326 4.807 8.881) 13.088 13.528 ( 11.811 6.819 14.387) 19.824 13.558 ( 3.420 1.975 -6.503) 7.609 13.950 ( 15.390 8.886 -2.457) 17.940 14.228 ( -2.236 -1.291 0.384) 2.610 14.263 ( -2.135 -1.233 -0.415) 2.500 15.378 ( -20.303 -11.722 7.954) 24.756 15.874 ( -12.918 -7.458 -13.706) 20.258 17.057 ( 4.559 2.632 0.955) 5.350 17.070 ( 2.132 1.231 0.364) 2.489 17.083 ( 3.235 1.868 -1.032) 3.876 17.090 ( 1.476 0.852 0.883) 1.920 17.959 ( 21.793 12.582 2.260) 25.266 18.040 ( 36.835 21.266 -2.099) 42.585 18.664 ( 4.557 2.631 1.753) 5.546 18.711 ( 6.588 3.804 -0.101) 7.608 18.755 ( -0.652 -0.376 -1.106) 1.338 18.761 ( -2.574 -1.486 1.135) 3.181 20.058 ( -0.657 -0.379 0.035) 0.759 20.070 ( -1.254 -0.724 -0.658) 1.591 20.124 ( -5.992 -3.460 -1.023) 6.994 20.172 ( -7.482 -4.320 0.195) 8.642 21.051 ( -36.878 -21.291 5.986) 43.001 21.810 ( -45.016 -25.990 -47.617) 70.493 23.699 ( 9.509 5.490 10.482) 15.180 23.873 ( 4.307 2.487 -3.146) 5.885 23.988 ( 3.140 1.813 2.584) 4.452 24.060 ( 2.031 1.173 -1.289) 2.676 ======================= Grid point 145 (28/58) ======================= q-point: ( 0.09 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 17.725 15.628 24.650) 34.147 1.461 ( 21.099 23.390 15.426) 35.075 2.019 ( -2.761 19.637 -20.927) 28.830 2.357 ( 11.843 15.015 -21.364) 28.673 2.456 ( 18.709 48.015 15.326) 53.762 2.784 ( 9.269 -0.268 16.259) 18.717 3.138 ( 2.333 11.870 12.067) 17.087 3.273 ( -3.662 -0.440 -9.122) 9.840 3.335 ( 9.327 8.795 -18.715) 22.685 3.435 ( 2.059 0.557 -1.436) 2.571 5.632 ( -1.919 -3.388 -1.413) 4.142 5.648 ( 1.137 -0.462 -2.494) 2.779 5.791 ( -1.133 -2.367 5.700) 6.275 6.049 ( -1.332 -2.607 -7.447) 8.002 6.320 ( -5.421 -2.552 4.446) 7.461 6.465 ( 0.955 -0.878 6.683) 6.808 6.638 ( -0.884 -3.556 11.562) 12.129 6.691 ( 0.988 -2.419 -9.046) 9.416 6.876 ( -2.194 2.019 -4.665) 5.537 7.158 ( -1.281 -4.815 -7.257) 8.802 7.438 ( -0.367 -3.602 8.665) 9.391 7.563 ( -0.073 5.514 3.164) 6.358 7.750 ( 1.892 4.357 -4.070) 6.255 7.832 ( 2.283 2.696 -2.796) 4.505 7.968 ( -11.192 -8.036 6.653) 15.300 8.191 ( -4.306 -18.068 0.321) 18.577 8.600 ( -3.976 -7.060 0.525) 8.119 8.721 ( -5.753 -0.773 -0.358) 5.815 8.781 ( -6.434 -6.318 4.484) 10.071 8.789 ( -1.602 -11.026 -0.866) 11.175 8.888 ( -6.840 -8.436 -5.028) 11.968 8.932 ( 0.435 -1.346 -4.687) 4.896 9.095 ( 0.723 -4.769 0.036) 4.824 9.250 ( 0.064 1.041 -8.234) 8.300 9.499 ( 4.184 -3.261 -3.236) 6.214 9.619 ( -5.003 -10.981 -4.829) 12.998 9.628 ( -0.252 0.532 3.335) 3.386 9.774 ( -4.543 -2.593 -0.626) 5.268 9.941 ( 3.817 -0.137 15.370) 15.837 10.199 ( -4.486 -3.144 18.348) 19.149 10.225 ( 5.906 -2.999 -2.435) 7.057 10.345 ( -8.499 6.762 5.304) 12.086 10.486 ( -0.098 -4.977 -2.627) 5.628 10.643 ( -4.480 -0.870 5.116) 6.855 10.696 ( 0.606 -1.667 -3.849) 4.238 10.909 ( -0.141 1.264 -2.532) 2.833 10.974 ( 3.087 -3.342 4.533) 6.422 11.108 ( -1.499 -3.468 1.881) 4.220 11.173 ( -6.603 -5.567 -6.929) 11.072 11.360 ( 0.269 3.265 -8.193) 8.823 11.566 ( 0.983 1.283 0.687) 1.756 11.641 ( 6.832 7.253 -1.640) 10.098 11.692 ( 5.822 6.295 3.885) 9.414 11.753 ( -0.666 6.938 3.142) 7.646 11.835 ( -4.936 1.304 1.177) 5.239 11.933 ( 5.351 -1.138 0.395) 5.485 12.159 ( -0.050 0.399 3.580) 3.603 12.299 ( -1.003 -0.840 2.110) 2.482 12.441 ( 3.767 -1.679 -4.862) 6.376 12.514 ( -3.049 1.276 -2.612) 4.213 12.992 ( 5.950 11.273 1.771) 12.869 13.010 ( 6.847 10.578 0.994) 12.640 13.190 ( 2.575 -1.311 6.328) 6.956 13.448 ( -1.492 -7.520 -1.863) 7.890 13.526 ( 2.038 -2.705 -1.050) 3.546 13.667 ( -12.057 -6.469 -2.295) 13.874 14.272 ( 1.771 3.244 0.745) 3.770 14.307 ( 1.822 2.671 -0.810) 3.333 15.721 ( 10.009 14.358 6.665) 18.728 15.992 ( 1.810 4.993 -5.130) 7.384 16.835 ( -11.267 -13.246 2.358) 17.549 16.945 ( -8.159 -16.857 -2.672) 18.917 17.036 ( 0.265 -3.530 0.930) 3.660 17.074 ( -1.916 0.770 -0.887) 2.247 17.505 ( -9.344 -17.587 4.364) 20.387 17.767 ( -6.030 -10.086 -7.606) 13.998 18.538 ( -7.134 -12.011 0.960) 14.002 18.571 ( -3.609 -7.559 -0.421) 8.387 18.775 ( 0.628 4.343 0.541) 4.421 18.812 ( 3.562 4.089 -0.942) 5.504 20.051 ( -1.828 0.209 -0.172) 1.848 20.063 ( 1.798 -0.564 -0.425) 1.932 20.326 ( 4.617 12.673 0.030) 13.488 20.341 ( 9.305 11.525 -0.603) 14.825 21.634 ( 17.436 28.945 8.349) 34.807 22.323 ( 11.097 19.838 -29.582) 37.307 23.543 ( -5.229 -8.079 10.659) 14.361 23.780 ( -3.624 -7.268 -4.393) 9.233 23.924 ( -2.468 -3.595 3.301) 5.469 24.017 ( -1.631 -3.032 -1.645) 3.816 ======================= Grid point 146 (29/58) ======================= q-point: ( 0.18 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 21.146 11.166 21.423) 32.106 2.069 ( 19.939 22.485 9.103) 31.401 2.233 ( 4.457 18.360 -13.316) 23.115 2.657 ( 8.898 10.120 -18.687) 23.039 2.990 ( 12.864 0.337 6.602) 14.463 3.174 ( 6.446 13.631 -0.404) 15.084 3.216 ( 3.157 9.369 -7.207) 12.235 3.310 ( 3.974 11.485 4.627) 13.004 3.538 ( 10.311 9.013 5.027) 14.589 3.615 ( 10.223 7.214 -0.340) 12.517 5.545 ( -4.092 -2.813 -0.638) 5.006 5.698 ( 3.328 1.237 -6.331) 7.259 5.751 ( -0.113 -2.272 5.345) 5.809 5.986 ( -1.568 -4.743 -5.831) 7.679 6.182 ( -5.454 -5.115 3.282) 8.166 6.384 ( -5.266 -5.593 1.661) 7.860 6.597 ( 0.202 -6.226 5.998) 8.647 6.682 ( -2.076 -1.794 -2.121) 3.468 6.770 ( -9.193 -1.241 2.959) 9.737 7.138 ( 2.610 -0.213 -5.833) 6.394 7.376 ( -0.972 -7.367 8.841) 11.549 7.604 ( -7.051 2.852 -0.920) 7.661 7.629 ( -8.530 -7.150 -1.161) 11.191 7.744 ( -9.813 -9.897 -3.559) 14.384 7.860 ( 6.268 0.334 -3.177) 7.035 8.041 ( 2.480 0.644 -5.335) 5.918 8.451 ( -5.192 -4.848 4.455) 8.385 8.559 ( -6.324 -11.006 4.244) 13.384 8.617 ( -8.046 0.003 -3.520) 8.782 8.702 ( -3.312 -0.949 5.414) 6.417 8.707 ( -3.444 -2.537 -1.215) 4.447 8.945 ( 1.800 -3.994 -4.021) 5.947 9.013 ( -2.237 -3.756 5.103) 6.720 9.208 ( -3.170 -8.889 -7.853) 12.277 9.406 ( -6.157 0.550 -3.760) 7.235 9.533 ( -2.750 -7.743 4.285) 9.267 9.617 ( 9.176 -4.822 -2.918) 10.769 9.785 ( 1.582 -4.054 -3.335) 5.483 9.930 ( -3.050 4.598 7.878) 9.618 10.077 ( -9.584 6.117 10.209) 15.281 10.238 ( -8.399 6.778 0.517) 10.805 10.383 ( 10.269 -4.700 -2.762) 11.626 10.533 ( 3.989 -0.284 2.361) 4.644 10.582 ( 0.355 -2.749 2.853) 3.978 10.668 ( -0.839 0.043 -2.251) 2.402 10.901 ( -1.737 5.174 -3.462) 6.463 10.923 ( -9.483 1.707 -1.607) 9.768 11.031 ( -0.070 -0.722 6.013) 6.057 11.157 ( 9.149 -8.520 -0.089) 12.502 11.353 ( 0.184 -3.496 -9.785) 10.392 11.575 ( -2.081 2.398 2.562) 4.080 11.650 ( -0.670 -5.177 4.012) 6.584 11.762 ( -5.537 2.782 2.451) 6.664 11.801 ( -4.772 10.595 -0.612) 11.636 11.940 ( 8.413 3.610 1.524) 9.280 12.000 ( 6.579 -4.408 -0.581) 7.941 12.229 ( 3.491 1.603 -0.461) 3.869 12.339 ( 4.685 3.354 0.341) 5.772 12.477 ( -3.091 5.528 -3.044) 7.027 12.533 ( 1.483 7.140 -1.984) 7.558 13.029 ( 0.395 -5.576 3.155) 6.419 13.132 ( 2.811 4.286 -0.290) 5.134 13.222 ( -6.963 -3.064 -2.063) 7.882 13.448 ( -7.851 -0.065 1.644) 8.022 13.501 ( 13.389 3.158 -0.935) 13.788 13.620 ( 4.664 3.927 -0.745) 6.142 14.351 ( 3.875 2.373 0.280) 4.553 14.381 ( 3.533 2.720 -0.253) 4.465 15.835 ( -2.474 -3.941 1.313) 4.835 16.062 ( -1.808 2.841 -1.356) 3.631 16.381 ( -14.764 -26.956 1.975) 30.798 16.577 ( -10.439 -13.472 -1.301) 17.092 17.028 ( -0.210 2.266 1.068) 2.514 17.061 ( -0.894 3.304 -0.559) 3.468 17.414 ( 3.027 0.368 4.785) 5.674 17.546 ( -10.502 -2.960 -5.363) 12.158 18.276 ( -8.731 -9.762 2.485) 13.331 18.408 ( -5.882 -6.972 -2.876) 9.564 18.898 ( 8.839 2.490 0.603) 9.203 18.961 ( 8.849 3.598 -1.044) 9.610 20.017 ( -1.250 -2.110 0.303) 2.471 20.088 ( 1.819 -2.077 -0.478) 2.802 20.557 ( 4.616 16.656 -0.266) 17.286 20.647 ( 9.390 14.877 -0.052) 17.593 22.136 ( 14.194 14.135 7.879) 21.525 22.614 ( 7.156 8.211 -16.540) 19.804 23.362 ( -6.583 -7.238 7.830) 12.531 23.590 ( -7.944 -9.956 -3.448) 13.196 23.857 ( -1.708 -1.623 2.329) 3.313 23.948 ( -2.427 -3.060 -1.572) 4.210 ======================= Grid point 147 (30/58) ======================= q-point: ( 0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 20.219 9.278 14.529) 26.570 2.515 ( 8.647 14.106 -6.698) 17.850 2.603 ( 15.579 18.761 7.150) 25.413 2.901 ( 8.373 8.075 -12.787) 17.286 3.148 ( -1.073 -0.330 -5.468) 5.582 3.199 ( 9.287 -0.564 0.164) 9.306 3.386 ( 0.698 5.997 -1.957) 6.347 3.434 ( 1.052 5.844 0.817) 5.994 3.794 ( 5.244 2.677 8.845) 10.625 3.965 ( 14.632 11.208 -1.224) 18.472 5.430 ( -5.948 -2.118 2.309) 6.723 5.734 ( 2.656 -3.276 1.938) 4.641 5.770 ( 0.920 -0.185 -2.562) 2.729 5.894 ( -3.343 -5.073 -3.041) 6.793 6.034 ( -3.510 -7.564 2.140) 8.609 6.177 ( -6.847 -13.168 -3.400) 15.226 6.426 ( -11.885 -9.217 -5.798) 16.118 6.534 ( -0.108 -7.356 8.939) 11.577 6.715 ( -4.261 5.624 -0.692) 7.089 7.086 ( -15.334 -4.417 8.795) 18.220 7.282 ( 4.517 -8.154 -7.675) 12.074 7.326 ( -4.378 -4.529 1.894) 6.578 7.544 ( -2.021 -3.409 3.059) 5.006 7.681 ( 0.032 7.542 -6.528) 9.974 7.998 ( 7.883 -1.472 -5.085) 9.495 8.096 ( 2.698 -2.087 -4.053) 5.298 8.329 ( -4.554 -0.314 4.443) 6.370 8.456 ( 1.103 1.602 6.890) 7.159 8.509 ( -6.546 1.808 -1.445) 6.943 8.546 ( -9.757 -1.878 -0.464) 9.947 8.663 ( -2.139 2.709 2.289) 4.141 8.926 ( 1.273 -1.426 3.628) 4.101 8.979 ( -0.736 -1.741 -2.265) 2.950 9.048 ( -0.887 -11.802 -3.034) 12.218 9.344 ( -3.263 0.092 -2.542) 4.137 9.450 ( 0.508 -6.395 5.992) 8.778 9.642 ( -3.757 -6.496 -3.909) 8.461 9.721 ( 6.006 -4.977 -0.092) 7.801 9.974 ( -9.361 12.793 0.833) 15.874 9.992 ( -4.609 6.438 -0.871) 7.965 10.154 ( -3.929 -2.936 -0.024) 4.905 10.401 ( -8.754 -9.083 -5.579) 13.793 10.508 ( 2.171 3.059 1.528) 4.051 10.587 ( 6.810 -1.542 -0.884) 7.038 10.789 ( 6.781 0.307 3.637) 7.701 10.847 ( -2.858 5.810 1.983) 6.772 10.969 ( -0.745 5.156 0.721) 5.259 11.039 ( 1.962 5.406 4.795) 7.488 11.209 ( 4.373 -5.412 -1.814) 7.190 11.338 ( 0.744 -0.996 -4.025) 4.212 11.540 ( -2.009 -0.674 0.661) 2.219 11.604 ( -0.270 -2.881 3.979) 4.920 11.692 ( -2.488 0.630 1.670) 3.062 11.803 ( -5.503 6.641 -1.424) 8.742 11.998 ( 2.221 -3.969 -3.333) 5.639 12.113 ( 7.291 -4.354 2.597) 8.881 12.291 ( 2.523 1.747 -1.257) 3.317 12.420 ( -3.359 9.236 3.103) 10.306 12.543 ( 3.789 1.816 -5.799) 7.161 12.626 ( -1.844 13.422 2.023) 13.698 12.978 ( 0.723 -5.274 -1.102) 5.436 13.095 ( -6.519 1.898 0.316) 6.797 13.257 ( 5.432 1.688 -4.011) 6.960 13.315 ( -2.729 -1.807 -0.077) 3.274 13.663 ( 4.529 -1.063 6.252) 7.793 13.807 ( 8.333 3.855 -2.897) 9.628 14.451 ( 4.972 1.810 0.370) 5.304 14.489 ( 5.276 3.252 -0.455) 6.214 15.653 ( -8.474 -11.815 -0.852) 14.564 15.805 ( -15.231 -8.743 4.333) 18.089 16.053 ( -0.493 -17.961 -3.395) 18.286 16.262 ( -10.385 -13.326 0.162) 16.895 17.058 ( -2.345 7.997 -1.974) 8.564 17.125 ( 1.646 5.844 2.961) 6.755 17.383 ( -4.848 -1.068 -3.325) 5.975 17.500 ( 3.727 2.101 2.432) 4.922 18.061 ( -6.608 -5.298 3.336) 9.103 18.235 ( -6.147 -5.737 -3.154) 8.981 19.110 ( 12.322 1.440 1.355) 12.480 19.187 ( 12.538 3.113 -1.593) 13.017 19.953 ( -2.365 -4.397 0.799) 5.056 20.069 ( -0.985 -3.748 -0.711) 3.939 20.815 ( 4.105 18.342 -0.053) 18.796 20.955 ( 6.728 16.732 -0.007) 18.034 22.434 ( 9.123 5.415 6.572) 12.480 22.771 ( 4.374 3.415 -11.172) 12.474 23.168 ( -6.756 -7.400 4.722) 11.077 23.316 ( -10.552 -10.572 -1.261) 14.990 23.827 ( -0.512 -1.314 1.064) 1.767 23.880 ( -2.060 -1.797 -0.933) 2.889 ======================= Grid point 148 (31/58) ======================= q-point: ( 0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.668 ( 17.097 7.656 8.716) 20.661 2.776 ( 7.179 8.241 -1.239) 10.999 2.968 ( 8.201 8.902 1.306) 12.174 3.103 ( 3.659 4.301 -2.141) 6.039 3.133 ( 1.757 1.487 -3.680) 4.341 3.297 ( 1.836 -0.725 -1.778) 2.656 3.409 ( -1.537 2.250 -0.028) 2.725 3.497 ( -0.555 5.150 -3.503) 6.253 3.881 ( 2.774 1.447 8.222) 8.797 4.182 ( 5.081 -0.501 -4.839) 7.035 5.325 ( -3.821 0.642 4.270) 5.766 5.623 ( -9.719 -8.540 5.081) 13.900 5.722 ( 1.437 -7.161 1.669) 7.492 5.832 ( -0.310 -2.158 -6.788) 7.130 5.908 ( 0.493 -12.436 -7.796) 14.686 6.032 ( 1.622 -3.865 2.184) 4.726 6.165 ( -5.793 -7.150 -2.766) 9.609 6.459 ( 0.170 -8.143 2.588) 8.546 6.689 ( -4.255 -2.485 0.821) 4.996 6.746 ( -9.229 -2.929 2.517) 10.005 7.258 ( -3.273 3.353 2.919) 5.521 7.326 ( 2.935 -2.737 -3.808) 5.532 7.544 ( 1.202 1.134 5.299) 5.551 7.778 ( 3.913 3.590 -8.226) 9.791 7.991 ( -2.842 -2.227 0.403) 3.633 8.186 ( 2.607 5.007 4.867) 7.453 8.247 ( -9.045 -5.492 0.463) 10.592 8.367 ( 6.086 2.788 -0.091) 6.695 8.477 ( -5.126 4.006 -2.237) 6.880 8.630 ( 7.746 6.666 0.033) 10.219 8.709 ( 1.450 8.012 0.708) 8.173 8.904 ( -4.305 -3.744 1.041) 5.800 8.933 ( 0.311 -5.974 -0.147) 5.984 8.948 ( 0.119 -2.743 -1.092) 2.955 9.228 ( -7.416 -5.278 5.470) 10.620 9.427 ( 3.671 -3.447 -3.538) 6.154 9.589 ( -0.105 2.410 -3.802) 4.502 9.755 ( 4.212 -6.088 -1.986) 7.665 9.914 ( -8.233 8.188 -0.779) 11.638 9.981 ( -2.057 1.210 -1.122) 2.637 10.023 ( -4.797 -5.692 0.174) 7.445 10.151 ( -10.559 -2.827 0.103) 10.931 10.573 ( 0.324 4.686 2.931) 5.537 10.717 ( 0.913 1.352 -2.649) 3.111 10.742 ( -2.342 4.759 1.010) 5.399 10.943 ( 2.943 2.120 3.719) 5.195 11.087 ( 7.303 5.874 -1.225) 9.452 11.121 ( 0.702 2.581 1.992) 3.336 11.232 ( 2.032 -1.284 0.409) 2.438 11.302 ( -1.933 -3.011 -0.197) 3.583 11.525 ( 0.529 -0.826 0.363) 1.046 11.606 ( 1.678 -1.736 1.648) 2.924 11.694 ( 0.846 0.844 2.486) 2.758 11.739 ( -4.054 3.275 -1.964) 5.569 11.971 ( -1.641 -3.009 -3.446) 4.860 12.148 ( 2.725 -4.409 0.578) 5.215 12.338 ( -1.965 5.581 1.290) 6.056 12.457 ( -0.270 4.396 -0.912) 4.498 12.603 ( -0.723 4.679 0.517) 4.762 12.730 ( 1.365 7.402 0.545) 7.546 12.926 ( -4.920 -0.724 0.365) 4.987 13.024 ( -2.709 2.292 -1.695) 3.933 13.237 ( 0.515 -0.853 1.582) 1.870 13.429 ( 6.655 -0.690 -8.750) 11.015 13.707 ( 3.460 -1.922 6.977) 8.022 13.912 ( 2.416 -1.413 -0.931) 2.949 14.560 ( 4.229 2.917 0.347) 5.150 14.619 ( 4.775 3.477 -1.263) 6.040 15.360 ( -4.887 -14.970 5.345) 16.630 15.573 ( -5.480 -5.619 -3.140) 8.454 15.867 ( 0.503 -15.999 -1.012) 16.039 15.965 ( -7.420 -11.776 -0.223) 13.921 17.102 ( -1.972 7.629 -0.906) 7.931 17.186 ( -2.933 7.033 0.470) 7.635 17.360 ( 2.431 -0.140 1.020) 2.640 17.562 ( 1.277 1.020 -0.560) 1.728 17.939 ( -3.523 -1.359 2.759) 4.677 18.089 ( -4.526 -3.434 -2.783) 6.326 19.338 ( 11.954 -0.192 2.688) 12.254 19.442 ( 12.851 1.566 -2.462) 13.178 19.847 ( -3.559 -5.334 1.072) 6.502 19.974 ( -4.281 -5.420 -1.173) 7.006 21.053 ( 1.143 17.788 0.682) 17.838 21.195 ( 0.393 16.431 -0.643) 16.448 22.597 ( 6.736 0.511 5.437) 8.672 22.843 ( 2.663 -1.653 -7.632) 8.250 22.986 ( -5.691 -7.925 2.031) 9.966 23.050 ( -7.874 -4.858 -0.547) 9.268 23.797 ( -0.246 -2.719 1.491) 3.111 23.852 ( -0.671 0.588 -1.077) 1.398 ======================= Grid point 149 (32/58) ======================= q-point: ( 0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.856 ( -3.896 0.277 5.614) 6.839 2.991 ( -4.933 -5.809 -0.713) 7.654 3.005 ( 11.136 3.469 0.972) 11.705 3.110 ( -0.153 0.437 -0.351) 0.580 3.232 ( -4.555 1.477 0.785) 4.852 3.257 ( 0.265 1.696 -3.026) 3.479 3.401 ( -3.693 3.594 1.252) 5.303 3.535 ( -0.160 3.777 -5.256) 6.474 3.927 ( 1.175 0.454 7.213) 7.322 4.200 ( 0.970 -3.761 -5.859) 7.029 5.334 ( 1.607 4.211 7.147) 8.450 5.434 ( -2.524 -2.997 3.220) 5.072 5.687 ( 5.281 -9.169 0.206) 10.583 5.811 ( 6.298 -9.848 -8.385) 14.386 5.874 ( 3.267 0.483 -4.932) 5.935 5.914 ( -6.157 -4.744 -5.913) 9.766 6.217 ( 10.827 -2.086 7.489) 13.328 6.385 ( 0.617 -6.338 -2.109) 6.708 6.530 ( -3.018 -2.140 6.865) 7.798 6.762 ( 6.052 -1.881 -4.862) 7.988 7.210 ( -7.624 6.218 4.923) 11.001 7.371 ( 3.324 0.659 -4.307) 5.480 7.550 ( -0.642 -1.618 5.507) 5.775 7.851 ( -0.582 1.872 -3.715) 4.201 7.925 ( -0.407 -1.227 1.649) 2.096 8.133 ( -3.126 2.043 -0.830) 3.825 8.255 ( 0.729 4.516 0.451) 4.597 8.434 ( -3.534 3.132 1.134) 4.857 8.489 ( 0.856 3.940 0.964) 4.145 8.728 ( -5.145 -7.430 -4.150) 9.945 8.826 ( 3.176 -1.524 1.504) 3.831 8.858 ( 7.807 3.605 -1.687) 8.763 8.875 ( 1.034 -3.505 0.058) 3.655 8.949 ( -2.728 7.549 -0.573) 8.047 9.058 ( -4.386 -2.806 7.941) 9.496 9.467 ( 1.957 -0.320 -10.204) 10.394 9.653 ( 2.772 -0.046 1.544) 3.173 9.731 ( 1.142 -5.254 -2.911) 6.114 9.844 ( -0.773 -1.475 0.394) 1.711 9.914 ( -3.021 -0.781 -2.381) 3.925 9.988 ( -5.263 9.274 1.544) 10.774 10.031 ( 0.817 0.570 1.312) 1.647 10.593 ( -3.068 3.682 3.089) 5.702 10.684 ( -3.265 7.423 -0.253) 8.113 10.836 ( 3.004 1.411 3.792) 5.039 10.967 ( -2.936 2.026 -0.333) 3.583 11.111 ( -2.146 -2.938 0.408) 3.661 11.168 ( -1.683 -0.888 1.734) 2.575 11.255 ( 2.848 2.828 -2.844) 4.918 11.341 ( 4.250 1.296 -3.501) 5.657 11.472 ( -3.863 -5.609 2.152) 7.142 11.583 ( 1.415 2.123 -2.866) 3.837 11.703 ( 0.258 -0.692 2.578) 2.681 11.825 ( 0.996 0.783 10.004) 10.083 11.902 ( 1.893 0.090 -7.521) 7.756 12.145 ( 1.811 -3.523 -0.844) 4.050 12.337 ( -5.006 5.751 -0.740) 7.661 12.485 ( -0.198 2.210 -2.942) 3.685 12.591 ( -5.533 3.983 5.939) 9.042 12.789 ( -4.298 2.750 -2.584) 5.720 12.871 ( 1.809 2.363 3.726) 4.768 13.016 ( -2.185 4.752 -3.775) 6.450 13.261 ( 1.753 -1.643 2.381) 3.382 13.456 ( 0.186 -4.241 -8.686) 9.668 13.766 ( 4.272 -1.835 6.593) 8.067 13.900 ( 0.161 -3.055 -1.340) 3.340 14.624 ( -1.003 2.041 0.667) 2.370 14.688 ( -0.262 0.703 -2.445) 2.557 15.244 ( 6.316 -10.288 6.790) 13.851 15.478 ( 2.469 -5.211 -3.558) 6.776 15.778 ( 6.078 -13.328 0.590) 14.660 15.835 ( 3.131 -3.068 -1.987) 4.813 17.133 ( -2.590 6.114 0.449) 6.656 17.174 ( -4.812 4.679 -1.803) 6.950 17.418 ( 2.374 1.164 4.310) 5.056 17.562 ( -2.030 -0.117 -2.457) 3.189 17.907 ( 0.431 0.485 2.365) 2.452 18.027 ( -0.328 0.211 -2.957) 2.982 19.461 ( 2.859 -6.499 3.522) 7.926 19.606 ( 4.067 -5.373 -2.938) 7.351 19.780 ( 2.182 -1.554 1.459) 3.050 19.855 ( -0.729 -1.671 -1.873) 2.614 21.180 ( -5.949 13.813 1.976) 15.169 21.271 ( -9.258 12.982 -1.985) 16.068 22.674 ( 2.297 -5.784 4.404) 7.624 22.836 ( 1.466 -1.700 2.494) 3.355 22.861 ( 3.085 -5.367 -3.738) 7.232 22.981 ( -0.956 2.602 -3.868) 4.758 23.779 ( 1.102 -2.044 1.995) 3.062 23.852 ( -0.419 0.792 -1.316) 1.593 ======================= Grid point 151 (33/58) ======================= q-point: (-0.45 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -16.135 -10.825 5.974) 20.328 2.817 ( -13.703 -1.077 -0.503) 13.754 2.975 ( -9.541 -1.124 4.900) 10.784 3.098 ( -5.649 -0.751 -4.296) 7.137 3.171 ( -4.937 -4.895 -3.749) 7.899 3.242 ( 3.068 -2.371 -0.765) 3.952 3.406 ( -0.786 5.486 -0.529) 5.567 3.535 ( -3.406 1.833 -3.413) 5.158 3.906 ( -3.199 -2.445 9.201) 10.043 4.157 ( -2.235 -3.804 -5.722) 7.226 5.429 ( 5.494 2.110 8.334) 10.203 5.493 ( 6.169 4.717 -0.408) 7.776 5.723 ( 3.712 -6.418 0.214) 7.417 5.781 ( -0.559 -2.976 -2.627) 4.008 5.908 ( 12.163 -5.296 -7.424) 15.202 6.004 ( 6.875 5.536 -1.039) 8.888 6.330 ( 4.421 -6.855 -2.403) 8.504 6.438 ( 12.841 -1.974 3.687) 13.505 6.579 ( 5.829 7.117 1.445) 9.312 6.877 ( 9.333 -4.810 2.205) 10.728 7.151 ( -5.792 8.405 0.984) 10.255 7.407 ( -0.591 -1.723 -3.121) 3.613 7.517 ( -1.777 2.212 3.944) 4.859 7.833 ( 0.469 -1.725 -0.493) 1.854 7.923 ( -0.023 -2.920 -7.562) 8.106 8.139 ( -0.819 7.804 7.139) 10.609 8.329 ( 1.371 -0.077 -1.772) 2.242 8.408 ( -1.269 4.279 0.835) 4.541 8.475 ( -4.604 -0.526 1.561) 4.890 8.549 ( -1.755 -4.760 -0.891) 5.151 8.771 ( -5.928 2.122 -1.211) 6.412 8.811 ( -5.550 0.285 -0.789) 5.613 9.019 ( 4.179 -4.952 4.315) 7.785 9.043 ( 8.565 -1.238 1.064) 8.719 9.079 ( 7.455 3.626 -1.266) 8.386 9.468 ( -0.352 -2.509 -1.410) 2.899 9.596 ( -1.762 -1.650 -1.625) 2.910 9.770 ( 2.437 -0.615 -5.477) 6.026 9.896 ( -3.684 6.638 -1.349) 7.711 9.910 ( -0.086 6.796 2.867) 7.377 10.026 ( 4.519 9.810 -3.017) 11.215 10.135 ( 8.553 -1.782 2.069) 8.978 10.556 ( -2.502 -1.439 1.864) 3.436 10.737 ( -1.658 8.987 0.136) 9.139 10.832 ( -3.638 -2.710 -3.039) 5.460 10.904 ( -1.560 0.097 4.695) 4.949 11.018 ( -3.600 -3.850 0.602) 5.305 11.175 ( -1.121 -2.043 0.781) 2.458 11.248 ( -2.373 0.871 0.979) 2.711 11.367 ( -3.297 1.875 -1.532) 4.090 11.425 ( 4.166 -2.225 1.706) 5.022 11.623 ( -1.756 2.579 2.343) 3.902 11.695 ( 1.985 -1.168 0.036) 2.303 11.800 ( 0.439 0.807 -1.500) 1.758 12.013 ( 6.202 -4.130 -1.178) 7.544 12.151 ( 1.949 -0.853 0.466) 2.178 12.277 ( -7.197 4.599 -2.639) 8.940 12.448 ( -5.335 -2.307 3.796) 6.943 12.554 ( -3.454 6.769 -1.358) 7.720 12.710 ( -6.386 2.627 0.183) 6.908 12.950 ( 2.466 4.500 0.785) 5.191 13.045 ( -1.911 5.371 -2.030) 6.052 13.236 ( 0.016 -4.462 2.273) 5.007 13.409 ( 0.381 -3.751 -8.045) 8.884 13.764 ( -1.501 -4.998 7.334) 9.001 13.880 ( 0.032 -2.237 -2.417) 3.294 14.564 ( -4.652 -2.214 0.377) 5.166 14.626 ( -4.753 -2.804 -1.343) 5.680 15.344 ( 12.730 -3.640 4.917) 14.124 15.598 ( 11.260 3.659 -2.646) 12.131 15.837 ( 13.279 -9.010 -1.034) 16.081 15.974 ( 12.681 0.434 -0.216) 12.691 17.110 ( -5.281 1.606 -1.717) 5.780 17.147 ( -4.118 7.597 1.404) 8.755 17.457 ( 0.925 0.899 4.038) 4.239 17.488 ( -4.960 -1.413 -3.660) 6.324 17.962 ( 4.200 1.790 3.252) 5.605 18.085 ( 5.006 2.513 -3.327) 6.515 19.325 ( -5.654 -10.263 2.310) 11.943 19.448 ( -8.347 -10.546 -2.080) 13.610 19.871 ( 6.852 0.216 1.846) 7.099 19.946 ( 6.341 1.253 -1.945) 6.750 21.112 ( -13.508 7.477 3.097) 15.747 21.143 ( -16.656 8.254 -3.060) 18.839 22.577 ( -4.086 -5.667 4.683) 8.411 22.850 ( -0.097 -2.808 -6.417) 7.005 22.994 ( 11.745 1.784 1.432) 11.966 23.054 ( 6.568 3.311 -0.411) 7.367 23.795 ( 2.497 -1.087 1.448) 3.084 23.853 ( -0.176 0.820 -1.029) 1.328 ======================= Grid point 152 (34/58) ======================= q-point: (-0.36 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.151 ( -20.130 -10.973 10.523) 25.226 2.457 ( -25.719 0.712 0.901) 25.745 2.789 ( -9.870 -4.557 2.867) 11.243 2.910 ( -12.312 -5.032 -4.937) 14.187 2.966 ( -9.483 -2.662 -9.292) 13.541 3.275 ( 2.723 -3.889 -1.035) 4.859 3.430 ( -1.735 2.840 -2.236) 4.009 3.464 ( -5.583 0.477 -3.381) 6.545 3.767 ( -8.482 -3.788 11.242) 14.584 3.968 ( -15.970 -6.640 -1.219) 17.338 5.541 ( 4.209 -0.484 6.851) 8.056 5.648 ( 0.305 2.150 -6.290) 6.654 5.654 ( 1.735 1.578 0.725) 2.455 5.842 ( 5.874 -0.456 -1.611) 6.108 6.084 ( 9.935 -1.340 -1.920) 10.207 6.209 ( 11.378 2.647 0.016) 11.682 6.387 ( 7.796 -1.795 -0.513) 8.016 6.650 ( 12.797 -4.049 3.103) 13.776 6.828 ( 6.523 13.495 -5.754) 16.055 6.909 ( -1.393 -1.894 10.053) 10.325 7.246 ( 7.884 5.172 -0.735) 9.457 7.400 ( 7.389 -4.023 -1.221) 8.502 7.513 ( 0.855 0.796 0.318) 1.211 7.804 ( -2.394 -1.789 2.793) 4.091 7.930 ( 1.354 4.278 -14.915) 15.575 8.151 ( -6.487 -12.218 -2.266) 14.017 8.280 ( 6.938 5.211 5.465) 10.254 8.432 ( 0.484 2.077 4.425) 4.912 8.566 ( 5.775 4.759 5.423) 9.242 8.585 ( 5.481 4.986 -0.786) 7.451 8.708 ( -5.103 2.182 -0.472) 5.570 8.720 ( -3.539 3.607 -1.033) 5.158 9.027 ( 2.790 -4.571 1.796) 5.648 9.162 ( 10.327 -9.200 -2.678) 14.087 9.252 ( 6.641 6.294 -2.733) 9.549 9.437 ( 1.491 -4.151 5.215) 6.830 9.604 ( 3.596 -1.048 -1.395) 3.997 9.768 ( -2.327 -1.954 -5.079) 5.919 9.918 ( -3.768 11.098 1.596) 11.829 9.947 ( -3.984 12.265 2.119) 13.069 10.230 ( 6.306 0.009 2.559) 6.805 10.314 ( 10.761 6.445 -7.822) 14.782 10.483 ( -0.710 -5.825 0.664) 5.906 10.696 ( -5.326 -2.115 -1.983) 6.064 10.769 ( -2.767 -1.811 3.478) 4.799 10.897 ( -4.448 0.918 2.567) 5.217 10.934 ( 2.854 -3.594 2.200) 5.090 11.054 ( -7.815 1.429 3.261) 8.588 11.243 ( 1.602 -1.880 -2.867) 3.784 11.355 ( 0.066 -2.079 -2.288) 3.092 11.491 ( 4.528 0.455 1.159) 4.697 11.647 ( 1.712 3.552 3.524) 5.288 11.733 ( 1.321 0.374 1.763) 2.235 11.810 ( -2.067 3.749 -1.554) 4.555 12.000 ( -0.344 -6.995 -2.825) 7.552 12.138 ( -2.171 -4.099 3.682) 5.922 12.246 ( -1.375 4.843 -4.732) 6.909 12.315 ( -5.490 -2.717 2.965) 6.806 12.524 ( -7.829 5.475 -3.119) 10.049 12.649 ( -5.945 6.408 1.038) 8.803 13.008 ( -2.118 0.436 -1.026) 2.393 13.069 ( 5.228 1.525 0.168) 5.449 13.236 ( 2.026 1.739 -1.994) 3.332 13.404 ( 1.693 -2.442 -3.802) 4.826 13.611 ( -8.398 -6.029 7.242) 12.622 13.821 ( -3.725 -4.015 -2.038) 5.844 14.452 ( -4.168 -3.230 0.329) 5.283 14.497 ( -5.588 -3.526 -0.424) 6.621 15.621 ( 17.896 4.270 -0.317) 18.401 15.835 ( 9.014 0.757 3.877) 9.841 16.081 ( 20.747 -0.337 -3.945) 21.121 16.232 ( 14.957 0.045 0.634) 14.971 17.031 ( -4.320 0.710 -1.075) 4.508 17.144 ( -6.588 8.982 2.126) 11.340 17.374 ( -3.516 -2.305 -3.145) 5.250 17.500 ( 2.366 1.741 2.210) 3.676 18.086 ( 7.836 2.004 3.881) 8.971 18.232 ( 8.074 2.751 -3.725) 9.308 19.107 ( -6.776 -9.864 1.466) 12.057 19.181 ( -9.665 -9.125 -1.692) 13.399 19.976 ( 4.873 -0.585 1.344) 5.089 20.042 ( 3.831 -0.431 -1.258) 4.055 20.885 ( -18.531 4.153 -0.403) 18.995 20.893 ( -17.264 3.723 0.344) 17.664 22.414 ( -9.314 -4.609 5.840) 11.920 22.779 ( -5.045 -2.291 -10.138) 11.553 23.197 ( 9.959 1.080 5.347) 11.355 23.296 ( 14.060 4.555 -2.186) 14.940 23.831 ( 1.911 -0.375 1.233) 2.305 23.876 ( 2.258 1.043 -1.104) 2.721 ======================= Grid point 153 (35/58) ======================= q-point: (-0.27 0.09 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -22.101 -5.488 17.400) 28.659 1.968 ( -30.955 2.829 5.893) 31.638 2.453 ( -16.050 -14.128 -12.599) 24.818 2.649 ( -14.471 -1.792 -12.920) 19.482 2.818 ( -7.658 4.706 6.758) 11.246 3.269 ( 1.348 -4.437 -3.929) 6.078 3.314 ( -18.304 -7.796 0.874) 19.914 3.363 ( -13.537 -3.663 -2.802) 14.301 3.481 ( -14.922 0.730 5.501) 15.920 3.554 ( -13.438 -0.469 2.833) 13.741 5.569 ( 2.534 -0.427 -0.472) 2.612 5.654 ( -1.868 1.688 -6.642) 7.103 5.724 ( 3.602 1.745 5.889) 7.120 5.964 ( 5.892 1.332 -5.210) 7.977 6.227 ( 8.169 -1.757 4.131) 9.322 6.401 ( 7.236 0.631 -3.784) 8.190 6.531 ( 6.801 2.105 7.687) 10.477 6.706 ( -2.718 -2.044 2.078) 3.985 6.878 ( 3.293 -1.889 2.266) 4.422 7.034 ( 4.051 7.045 -6.218) 10.233 7.370 ( 4.850 -2.659 5.957) 8.128 7.603 ( 7.852 6.123 0.379) 9.964 7.716 ( 16.988 3.123 -6.091) 18.315 7.744 ( 2.264 -4.169 4.193) 6.332 7.916 ( -6.357 -8.329 -2.100) 10.686 7.993 ( 0.956 3.054 -9.850) 10.357 8.477 ( 5.219 0.437 5.995) 7.961 8.512 ( 10.559 4.394 2.973) 11.817 8.675 ( 3.794 3.243 0.516) 5.018 8.679 ( 4.064 0.717 0.491) 4.156 8.741 ( 4.295 0.571 -0.377) 4.350 8.833 ( 7.946 7.257 -0.516) 10.774 9.025 ( 1.879 -3.184 0.821) 3.788 9.237 ( 5.626 -3.692 -7.186) 9.845 9.418 ( 2.623 5.269 -1.579) 6.094 9.452 ( 5.005 0.500 -0.171) 5.033 9.658 ( 5.088 -9.465 1.952) 10.922 9.715 ( 0.302 2.337 -3.049) 3.854 9.938 ( -2.813 5.434 13.227) 14.574 10.063 ( -0.157 15.239 -2.768) 15.489 10.277 ( 0.389 -6.544 8.682) 10.879 10.375 ( -2.453 3.144 -2.616) 4.769 10.517 ( 0.144 -1.174 -2.550) 2.811 10.614 ( 4.218 -7.666 -1.003) 8.807 10.695 ( -1.097 -1.729 3.234) 3.827 10.874 ( -1.587 7.115 1.339) 7.412 10.953 ( -1.558 2.399 0.236) 2.870 11.005 ( 3.365 0.034 -1.222) 3.580 11.199 ( 0.860 -11.609 -0.616) 11.658 11.360 ( 3.735 -2.940 -7.477) 8.860 11.579 ( 2.067 2.942 1.423) 3.867 11.681 ( 0.196 -4.551 4.369) 6.311 11.770 ( -1.910 10.777 2.106) 11.146 11.812 ( -2.991 4.556 0.876) 5.520 11.896 ( -5.149 -2.613 0.998) 5.860 12.015 ( -4.214 -8.706 -0.560) 9.688 12.222 ( -3.381 -0.916 -0.256) 3.512 12.270 ( 0.474 1.283 -1.661) 2.152 12.444 ( -6.343 5.913 -1.828) 8.862 12.583 ( -6.297 1.857 -1.636) 6.766 13.007 ( 3.138 -0.779 2.407) 4.031 13.175 ( 3.303 -3.522 -1.735) 5.130 13.282 ( -7.271 4.741 -0.101) 8.681 13.330 ( -0.278 -2.291 0.925) 2.486 13.490 ( -1.216 2.652 -0.544) 2.967 13.681 ( -4.003 -6.503 -0.428) 7.648 14.359 ( -3.653 -2.546 0.545) 4.486 14.374 ( -4.642 -1.504 -0.514) 4.907 15.894 ( -0.349 -3.138 3.664) 4.836 15.967 ( 8.646 6.018 -3.506) 11.102 16.462 ( 23.680 -3.627 3.862) 24.265 16.537 ( 18.849 5.377 -3.403) 19.894 16.992 ( -0.879 1.753 0.546) 2.035 17.099 ( -4.282 3.284 -0.015) 5.396 17.354 ( 1.813 0.884 2.491) 3.205 17.594 ( 5.561 3.558 -3.066) 7.279 18.284 ( 12.448 1.869 2.730) 12.880 18.406 ( 8.768 1.755 -3.142) 9.478 18.906 ( -5.816 -6.975 1.032) 9.140 18.949 ( -7.951 -4.986 -1.458) 9.498 20.031 ( 2.208 -0.401 0.594) 2.322 20.072 ( 1.122 -1.977 -0.775) 2.402 20.594 ( -17.747 2.702 -0.672) 17.964 20.613 ( -16.657 0.649 0.356) 16.673 22.124 ( -19.342 -4.216 7.436) 21.146 22.620 ( -10.656 -2.555 -15.968) 19.366 23.377 ( 9.333 0.756 8.195) 12.444 23.577 ( 12.608 3.019 -3.892) 13.536 23.864 ( 2.408 0.104 2.455) 3.441 23.945 ( 3.879 0.847 -1.749) 4.338 ======================= Grid point 158 (36/58) ======================= q-point: ( 0.18 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 13.463 16.773 14.764) 26.088 2.509 ( 15.357 19.640 1.089) 24.955 2.621 ( 0.958 18.478 -6.245) 19.529 2.868 ( 6.076 10.468 -8.121) 14.576 3.022 ( 9.851 2.996 -0.558) 10.311 3.199 ( -3.687 0.261 -3.413) 5.031 3.443 ( 0.506 5.710 -0.605) 5.765 3.462 ( 2.459 4.819 -1.876) 5.726 3.739 ( 4.868 5.724 9.088) 11.792 3.888 ( 9.406 16.692 0.097) 19.160 5.503 ( -4.236 -1.634 2.707) 5.286 5.667 ( 0.389 -3.680 3.372) 5.006 5.732 ( 2.900 -1.134 -5.260) 6.112 5.855 ( -2.180 -7.323 -3.180) 8.276 6.061 ( -5.332 -7.144 -1.354) 9.016 6.192 ( -9.143 -10.654 -1.714) 14.143 6.432 ( 0.038 -10.126 7.009) 12.315 6.548 ( -12.000 -9.182 -1.266) 15.163 6.833 ( -4.160 2.261 5.347) 7.142 7.082 ( 5.181 -13.178 -6.572) 15.610 7.252 ( -6.611 -0.832 4.728) 8.171 7.354 ( -5.138 -7.894 1.031) 9.475 7.524 ( -0.961 -3.867 0.974) 4.102 7.801 ( 1.053 5.823 -9.021) 10.788 7.910 ( -2.721 3.990 -1.407) 5.030 8.035 ( 2.497 -1.347 -7.647) 8.156 8.350 ( -1.977 -6.129 6.201) 8.940 8.452 ( 1.158 1.623 7.482) 7.743 8.622 ( -1.979 -5.568 2.037) 6.251 8.641 ( -3.676 0.580 -1.310) 3.946 8.715 ( -0.734 2.337 1.626) 2.940 8.837 ( 5.975 -3.673 -2.678) 7.507 8.963 ( -2.767 -2.584 -0.090) 3.787 9.035 ( -6.348 -5.882 -2.162) 8.920 9.382 ( -1.200 -6.348 2.656) 6.985 9.414 ( -3.063 -7.128 4.167) 8.807 9.498 ( 1.132 0.029 -5.151) 5.274 9.721 ( -3.005 -0.446 -3.749) 4.826 10.034 ( 2.453 1.966 3.079) 4.400 10.175 ( -3.414 2.024 2.880) 4.903 10.287 ( 11.855 -2.253 -3.274) 12.503 10.420 ( -6.688 -7.467 -2.942) 10.447 10.450 ( -6.185 7.410 0.899) 9.694 10.500 ( 3.842 -2.536 -1.369) 4.803 10.698 ( -0.576 3.934 4.529) 6.027 10.897 ( -0.348 0.195 -1.714) 1.759 10.990 ( 5.212 0.014 3.201) 6.117 11.100 ( 4.131 2.284 2.537) 5.359 11.143 ( -4.058 7.660 -0.413) 8.678 11.312 ( 0.815 1.477 -4.001) 4.342 11.521 ( -1.272 -6.743 4.820) 8.386 11.637 ( -2.423 1.969 -0.311) 3.138 11.798 ( -7.488 0.345 0.830) 7.542 11.856 ( 5.563 -6.050 -1.478) 8.350 11.959 ( 5.946 -1.104 1.457) 6.221 11.999 ( -5.222 7.804 1.426) 9.498 12.276 ( 1.566 4.018 -0.593) 4.353 12.400 ( 10.565 0.803 -6.947) 12.670 12.598 ( -0.994 6.846 2.929) 7.512 12.730 ( 7.192 7.217 -3.006) 10.623 12.937 ( -5.061 -0.340 3.394) 6.103 13.118 ( 3.778 -1.890 -5.613) 7.025 13.293 ( -5.323 3.134 1.458) 6.347 13.339 ( -1.171 -5.609 -0.641) 5.765 13.563 ( 4.499 2.265 5.783) 7.669 13.752 ( 2.487 6.589 -3.189) 7.731 14.413 ( 2.114 3.823 0.829) 4.446 14.451 ( 2.455 4.493 -0.811) 5.184 15.726 ( -11.561 -7.416 1.371) 13.803 15.796 ( -0.308 -23.682 -0.417) 23.687 16.017 ( -15.862 -11.938 4.834) 20.432 16.267 ( -6.509 -16.064 -5.825) 18.285 17.077 ( 5.697 2.959 2.634) 6.939 17.206 ( -0.991 9.504 -3.536) 10.189 17.403 ( 6.599 -1.776 2.647) 7.329 17.490 ( -5.767 -2.383 -1.650) 6.454 18.101 ( -4.675 -6.823 3.844) 9.121 18.262 ( -4.163 -7.192 -3.205) 8.907 18.988 ( 3.962 6.668 1.772) 7.956 19.074 ( 4.754 7.839 -1.999) 9.383 19.966 ( -3.103 -3.502 1.508) 4.916 20.036 ( -0.540 -3.006 -1.539) 3.420 20.912 ( 7.809 17.532 1.380) 19.242 20.977 ( 11.839 16.901 -1.459) 20.687 22.367 ( 5.557 8.440 6.654) 12.099 22.750 ( 2.530 4.854 -11.937) 13.132 23.197 ( -6.074 -8.868 6.113) 12.365 23.349 ( -6.900 -13.067 -2.221) 14.943 23.826 ( -1.187 -1.797 1.522) 2.637 23.888 ( -1.244 -2.326 -1.260) 2.923 ======================= Grid point 159 (37/58) ======================= q-point: ( 0.27 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.475 ( 15.200 12.684 10.304) 22.318 2.778 ( 3.613 10.695 -6.024) 12.795 2.930 ( 8.156 12.313 2.002) 14.904 3.081 ( 6.291 9.129 -1.820) 11.235 3.146 ( -1.677 0.052 -1.688) 2.380 3.196 ( 6.965 0.167 -3.411) 7.757 3.481 ( -1.100 4.335 0.410) 4.491 3.554 ( 1.083 5.778 -2.344) 6.329 3.846 ( 3.120 2.576 8.194) 9.138 4.091 ( 4.155 1.186 -3.872) 5.802 5.402 ( -4.306 -1.158 4.016) 6.002 5.579 ( -2.186 -10.858 2.553) 11.366 5.715 ( -3.852 -5.003 1.166) 6.421 5.746 ( -1.998 -11.606 -7.151) 13.778 5.924 ( 2.372 -6.812 3.959) 8.228 5.957 ( -8.128 -0.098 -3.544) 8.868 6.243 ( -10.937 -8.306 -3.916) 14.281 6.339 ( 1.719 -10.985 2.350) 11.364 6.687 ( -5.524 -10.816 2.069) 12.320 6.802 ( -8.322 -17.324 -0.469) 19.225 7.267 ( 0.766 4.472 -1.254) 4.707 7.327 ( 1.698 0.142 3.844) 4.205 7.591 ( 1.203 9.346 1.071) 9.484 7.787 ( -3.039 1.581 -10.414) 10.963 7.989 ( 3.407 1.802 -1.708) 4.216 8.121 ( 8.761 6.561 1.726) 11.080 8.308 ( -1.976 -2.175 8.781) 9.260 8.417 ( -8.889 -2.166 1.032) 9.207 8.557 ( 5.255 2.535 2.530) 6.360 8.610 ( -2.670 2.288 -1.005) 3.657 8.771 ( 1.296 5.837 -2.856) 6.626 8.852 ( -3.785 -2.435 -0.381) 4.516 8.922 ( 0.785 -0.026 1.637) 1.816 8.958 ( 2.339 -1.272 -2.292) 3.512 9.255 ( -4.439 -6.939 4.643) 9.456 9.342 ( 1.545 -2.798 0.715) 3.275 9.539 ( 4.405 -4.694 -6.460) 9.120 9.650 ( -2.766 -3.068 -6.674) 7.849 9.988 ( -3.223 -5.678 3.437) 7.379 10.084 ( -5.477 -5.712 1.078) 7.987 10.213 ( -12.145 4.322 1.951) 13.038 10.362 ( -8.836 11.307 -3.253) 14.714 10.561 ( 9.591 -0.114 -0.622) 9.612 10.586 ( 8.479 3.986 -1.082) 9.432 10.780 ( 4.574 0.759 1.716) 4.944 10.909 ( 0.445 0.319 -1.074) 1.206 11.070 ( 2.798 4.327 4.534) 6.864 11.124 ( 0.572 -1.243 -1.948) 2.381 11.212 ( 0.935 7.147 5.144) 8.856 11.341 ( -3.997 0.607 1.737) 4.400 11.493 ( 5.594 -0.722 3.095) 6.434 11.611 ( -3.415 1.804 -3.777) 5.402 11.694 ( -2.843 -0.557 0.863) 3.023 11.827 ( -2.159 -4.496 -1.730) 5.279 11.978 ( -2.839 2.473 -3.981) 5.479 12.044 ( 4.943 -3.230 2.662) 6.477 12.371 ( 3.009 6.284 0.205) 6.970 12.547 ( 1.866 1.101 -3.466) 4.088 12.619 ( -0.138 8.074 1.147) 8.156 12.856 ( -3.623 0.880 4.620) 5.937 12.931 ( 4.674 8.926 -4.446) 11.012 13.128 ( -7.427 -1.504 0.932) 7.635 13.253 ( 0.253 -1.449 0.137) 1.477 13.292 ( 4.984 0.709 -6.606) 8.305 13.625 ( 2.248 -2.088 7.300) 7.919 13.844 ( 3.162 -0.425 -2.487) 4.046 14.517 ( 4.499 5.009 0.461) 6.748 14.561 ( 5.226 4.137 -0.717) 6.704 15.370 ( -12.874 -13.989 4.778) 19.603 15.582 ( -2.615 -14.700 4.200) 15.510 15.665 ( -6.164 -18.523 -1.658) 19.592 15.979 ( -7.929 -13.804 -7.301) 17.513 17.221 ( 4.437 4.908 3.771) 7.615 17.258 ( -2.668 8.989 -2.309) 9.657 17.383 ( -4.681 0.868 -1.530) 5.001 17.497 ( 5.408 -2.173 0.070) 5.828 17.988 ( -3.389 -2.413 3.635) 5.524 18.127 ( -3.914 -4.365 -2.390) 6.331 19.163 ( 8.664 4.521 2.388) 10.060 19.269 ( 9.094 5.640 -2.572) 11.006 19.856 ( -3.961 -5.673 1.681) 7.120 19.969 ( -2.282 -5.822 -1.812) 6.511 21.219 ( 4.557 20.378 1.475) 20.934 21.337 ( 6.934 19.933 -1.379) 21.150 22.495 ( 4.201 0.192 5.881) 7.230 22.787 ( -0.013 -3.345 -9.007) 9.608 22.998 ( -5.803 -9.207 3.853) 11.545 23.112 ( -5.979 -7.277 -1.855) 9.599 23.779 ( -1.094 -2.936 2.358) 3.921 23.864 ( -0.346 -0.007 -1.558) 1.596 ======================= Grid point 160 (38/58) ======================= q-point: ( 0.36 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 12.423 8.744 6.275) 16.436 2.917 ( 2.130 5.754 -1.026) 6.221 3.025 ( -4.431 -1.688 -0.483) 4.767 3.121 ( -0.037 1.264 0.101) 1.269 3.215 ( 2.570 -0.507 -0.814) 2.743 3.287 ( 1.761 -0.246 -2.899) 3.401 3.521 ( -2.033 9.257 1.479) 9.592 3.612 ( -1.663 6.419 -2.464) 7.074 3.904 ( 1.818 0.348 4.971) 5.305 4.114 ( 2.566 -5.590 -3.859) 7.262 5.369 ( 0.671 0.912 5.233) 5.354 5.422 ( -2.742 -9.726 2.987) 10.537 5.502 ( -1.100 -9.876 0.055) 9.937 5.671 ( 0.002 -5.218 -3.977) 6.561 5.869 ( -1.602 1.598 -6.190) 6.590 5.989 ( -4.519 -2.424 -2.148) 5.560 6.020 ( 4.913 -6.253 2.739) 8.410 6.272 ( 2.495 -9.702 -2.292) 10.277 6.479 ( -1.544 -12.673 5.565) 13.927 6.611 ( 2.263 -10.613 -2.780) 11.202 7.288 ( -0.119 -0.716 2.582) 2.683 7.390 ( 2.099 3.849 3.083) 5.359 7.603 ( -5.341 5.225 -3.143) 8.106 7.846 ( 3.329 2.593 -11.172) 11.942 8.022 ( -5.791 3.709 5.688) 8.924 8.160 ( -1.828 0.907 -0.554) 2.115 8.386 ( 6.512 8.246 5.506) 11.863 8.394 ( -2.631 4.662 7.103) 8.895 8.595 ( -1.418 4.840 -0.131) 5.046 8.652 ( 4.802 -4.854 1.334) 6.957 8.783 ( 0.682 -0.180 -0.053) 0.707 8.819 ( -4.038 -0.259 -1.905) 4.472 8.868 ( -2.269 1.333 -3.359) 4.267 9.049 ( 0.580 2.731 -3.941) 4.830 9.144 ( -3.425 2.430 6.955) 8.125 9.386 ( 5.078 -0.751 -2.698) 5.800 9.545 ( 3.416 -8.773 -7.482) 12.026 9.598 ( 3.639 -5.593 -6.672) 9.436 9.849 ( -3.218 -7.400 2.647) 8.492 9.901 ( -3.719 -8.858 1.059) 9.666 10.123 ( -7.834 10.929 6.134) 14.780 10.339 ( -10.181 16.791 -3.046) 19.872 10.656 ( 1.795 1.596 6.576) 7.001 10.779 ( 3.317 4.268 -2.984) 6.174 10.795 ( -0.544 0.813 -0.381) 1.050 10.976 ( 4.839 1.138 -2.315) 5.484 11.107 ( -0.973 -2.461 -0.095) 2.649 11.154 ( 1.806 -6.366 -1.535) 6.793 11.256 ( 1.930 6.924 5.832) 9.256 11.323 ( -1.704 7.383 3.021) 8.157 11.532 ( -3.964 -0.164 -0.060) 3.968 11.583 ( -0.536 1.117 -4.818) 4.974 11.669 ( 0.836 -2.460 1.860) 3.195 11.790 ( 2.717 0.469 4.762) 5.503 11.918 ( -3.722 -2.260 -6.664) 7.961 12.068 ( 2.915 -4.787 -1.139) 5.719 12.475 ( -0.473 7.253 1.223) 7.370 12.545 ( -3.710 5.633 0.191) 6.748 12.728 ( -0.424 7.076 1.678) 7.284 12.850 ( 2.316 2.804 4.284) 5.620 12.924 ( -8.659 -0.523 -0.280) 8.679 13.076 ( 0.258 3.698 -6.252) 7.268 13.250 ( -0.293 2.700 1.243) 2.986 13.391 ( 2.755 -2.106 -7.290) 8.072 13.643 ( 5.145 -4.283 7.007) 9.690 13.843 ( 1.040 -5.595 -1.611) 5.915 14.655 ( 3.045 6.609 -0.247) 7.281 14.696 ( 2.945 4.305 -0.665) 5.258 15.083 ( -2.642 -10.965 7.760) 13.690 15.349 ( -2.794 -15.033 -0.196) 15.292 15.492 ( 5.987 -19.078 2.540) 20.156 15.770 ( -1.345 -8.112 -9.135) 12.291 17.263 ( -3.711 6.772 -0.071) 7.722 17.306 ( -3.792 4.892 -1.435) 6.354 17.382 ( 3.285 1.989 3.711) 5.340 17.543 ( 2.419 -2.551 -1.522) 3.831 17.918 ( -1.822 -1.480 3.270) 4.025 18.053 ( -1.996 0.189 -2.669) 3.339 19.343 ( 6.253 1.762 3.166) 7.227 19.473 ( 7.609 2.447 -3.120) 8.580 19.732 ( -1.644 -6.264 1.716) 6.700 19.849 ( -2.907 -6.558 -2.217) 7.508 21.452 ( -3.081 20.440 2.081) 20.775 21.581 ( -4.196 20.449 -1.952) 20.966 22.524 ( 4.412 -8.751 4.786) 10.907 22.709 ( 2.400 -10.883 -4.423) 11.990 22.832 ( -2.919 -5.094 3.680) 6.929 23.030 ( -1.692 1.179 -5.562) 5.932 23.742 ( 0.239 -2.472 3.651) 4.416 23.864 ( -0.200 0.487 -2.075) 2.141 ======================= Grid point 161 (39/58) ======================= q-point: (-0.55 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.786 ( -14.736 -4.807 3.861) 15.974 2.953 ( -4.061 0.841 1.129) 4.298 3.063 ( 3.134 2.562 1.398) 4.282 3.119 ( 0.435 0.815 -1.175) 1.495 3.206 ( -1.381 -4.060 -0.429) 4.310 3.249 ( -4.483 -0.988 -3.518) 5.783 3.523 ( -6.397 6.316 1.174) 9.065 3.626 ( -3.641 4.625 -2.231) 6.295 3.918 ( -0.300 -1.511 5.366) 5.583 4.105 ( 2.888 -4.871 -4.289) 7.103 5.354 ( 3.546 -2.951 3.839) 6.002 5.413 ( 6.220 -2.348 3.130) 7.348 5.540 ( 7.179 0.603 2.948) 7.784 5.665 ( 5.628 -3.249 -5.655) 8.615 5.821 ( -4.445 -3.595 -3.921) 6.932 5.961 ( 5.537 5.984 -3.002) 8.687 6.133 ( 8.663 -6.096 2.685) 10.927 6.241 ( 5.220 -7.126 -3.805) 9.618 6.444 ( 8.410 -4.771 4.568) 10.694 6.631 ( 10.100 -7.882 -1.589) 12.910 7.262 ( -2.504 0.872 2.169) 3.425 7.430 ( 0.482 -1.965 4.964) 5.360 7.606 ( -2.320 8.557 -6.142) 10.785 7.871 ( 0.804 -3.476 -12.065) 12.581 7.923 ( -8.410 6.944 6.461) 12.677 8.247 ( 2.765 5.095 1.026) 5.888 8.349 ( -5.400 2.729 6.487) 8.871 8.460 ( -3.137 2.176 7.925) 8.796 8.539 ( -5.061 -7.869 -1.906) 9.548 8.627 ( -4.099 5.406 0.019) 6.784 8.782 ( 3.037 0.067 2.944) 4.230 8.820 ( -0.253 -1.974 -2.724) 3.374 8.919 ( 4.379 3.694 -2.797) 6.375 9.014 ( -2.357 -1.205 -5.126) 5.769 9.120 ( -5.005 5.776 5.051) 9.161 9.418 ( 0.403 -8.620 2.603) 9.013 9.529 ( 3.414 -3.345 -12.504) 13.386 9.645 ( 7.121 -4.941 -7.447) 11.428 9.822 ( 6.538 -0.329 4.667) 8.040 9.892 ( 8.807 -2.571 1.265) 9.262 10.127 ( -5.190 12.311 6.798) 14.991 10.328 ( -11.233 17.992 -3.787) 21.546 10.610 ( -4.793 -3.124 3.840) 6.890 10.819 ( 0.091 3.571 0.247) 3.581 10.840 ( 0.752 -0.914 1.436) 1.861 10.958 ( -6.357 -4.284 -6.081) 9.785 11.057 ( -1.839 -1.000 1.763) 2.737 11.121 ( 3.094 -3.043 0.032) 4.340 11.330 ( -1.961 1.821 5.085) 5.747 11.360 ( -1.307 3.684 4.102) 5.666 11.464 ( -3.041 3.454 -3.686) 5.896 11.631 ( 2.760 -2.872 -3.272) 5.155 11.683 ( 0.557 5.373 1.310) 5.558 11.778 ( 0.463 -2.768 4.634) 5.417 11.898 ( 2.427 -3.279 -5.223) 6.628 12.083 ( 3.950 -2.848 -2.164) 5.329 12.472 ( -7.329 7.011 -0.558) 10.158 12.529 ( -4.872 2.595 2.760) 6.172 12.708 ( -5.348 4.170 -0.149) 6.783 12.806 ( -3.427 0.997 3.839) 5.242 12.993 ( 3.422 7.807 1.466) 8.649 13.096 ( 0.154 2.533 -6.845) 7.300 13.235 ( -4.535 -0.328 2.495) 5.187 13.355 ( -0.519 -4.731 -6.968) 8.438 13.690 ( 3.620 -5.473 6.867) 9.498 13.823 ( 3.153 -3.944 -2.634) 5.695 14.647 ( -6.807 -0.447 -0.300) 6.829 14.696 ( -5.171 0.287 -0.506) 5.204 15.114 ( 10.338 -1.382 8.953) 13.746 15.328 ( 14.472 -6.413 -1.459) 15.896 15.475 ( 12.696 -14.776 1.745) 19.559 15.783 ( 8.473 -2.885 -8.379) 12.261 17.239 ( -5.596 3.588 -0.021) 6.648 17.294 ( -3.430 7.227 -0.382) 8.009 17.438 ( 1.511 0.083 3.827) 4.115 17.523 ( -1.379 -3.709 -2.747) 4.817 17.920 ( 2.484 0.664 3.325) 4.203 18.053 ( 0.832 1.861 -2.715) 3.395 19.336 ( -5.120 -4.475 2.862) 7.378 19.479 ( -5.645 -5.481 -2.813) 8.356 19.743 ( 7.059 -1.770 2.190) 7.600 19.836 ( 6.207 -0.620 -2.692) 6.793 21.472 ( -14.418 12.945 2.868) 19.588 21.564 ( -17.127 13.811 -2.740) 22.172 22.510 ( 4.549 -8.345 4.234) 10.405 22.722 ( 8.977 -7.477 -4.034) 12.360 22.829 ( 5.686 0.128 3.809) 6.845 23.032 ( 0.049 1.982 -5.534) 5.878 23.741 ( 1.964 -1.435 3.647) 4.384 23.864 ( -0.302 0.410 -2.065) 2.127 ======================= Grid point 162 (40/58) ======================= q-point: (-0.45 0.18 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( -19.493 -3.232 8.447) 21.489 2.815 ( -11.819 -0.257 -3.561) 12.346 2.955 ( -13.719 -2.454 2.431) 14.147 3.075 ( -9.325 -1.524 0.792) 9.482 3.102 ( -6.617 1.740 -7.554) 10.192 3.195 ( 2.269 -2.468 -0.745) 3.434 3.491 ( -2.552 2.380 0.354) 3.507 3.569 ( -5.491 0.692 -3.036) 6.313 3.850 ( -4.618 -2.127 8.749) 10.119 4.086 ( -2.840 -2.334 -4.110) 5.514 5.438 ( 6.108 -0.757 5.449) 8.220 5.566 ( 10.175 -0.261 0.749) 10.206 5.647 ( 3.113 2.218 -1.362) 4.057 5.763 ( 1.661 -0.591 -1.498) 2.313 5.835 ( 13.844 0.344 -2.581) 14.087 6.099 ( 2.567 -1.836 -1.144) 3.357 6.214 ( 10.601 0.792 0.134) 10.631 6.361 ( 13.077 -5.320 -0.345) 14.122 6.677 ( 17.575 2.206 1.499) 17.776 6.781 ( 12.111 -2.289 0.109) 12.326 7.250 ( 0.024 3.279 0.288) 3.292 7.357 ( -5.123 -3.890 2.276) 6.823 7.602 ( -7.499 2.796 -0.214) 8.006 7.848 ( -1.777 0.965 -10.079) 10.280 7.893 ( 1.114 2.736 -0.654) 3.026 8.174 ( -9.268 -8.359 -0.044) 12.481 8.278 ( -0.992 3.598 9.340) 10.058 8.474 ( 1.456 2.708 1.570) 3.452 8.514 ( 4.118 -0.708 2.711) 4.981 8.601 ( -2.736 5.921 -0.404) 6.535 8.794 ( -1.899 -1.043 -1.097) 2.429 8.820 ( -2.624 3.467 -1.616) 4.638 8.935 ( 0.997 -1.939 1.075) 2.431 8.970 ( 1.713 -4.449 -2.281) 5.285 9.210 ( 5.921 7.077 1.591) 9.363 9.348 ( 2.092 -5.681 4.401) 7.484 9.526 ( 1.254 -4.482 -8.597) 9.776 9.715 ( 4.365 -4.082 -6.221) 8.626 9.994 ( 7.242 0.677 4.048) 8.325 10.052 ( 8.480 3.870 1.993) 9.532 10.209 ( -0.561 13.261 1.764) 13.390 10.334 ( -6.278 15.395 -3.828) 17.061 10.471 ( -4.013 -6.357 0.102) 7.518 10.712 ( -6.131 -11.904 -3.716) 13.896 10.805 ( -3.773 -4.730 4.897) 7.784 10.874 ( 0.872 2.589 -2.398) 3.635 11.013 ( -4.431 3.531 3.348) 6.581 11.140 ( 0.136 -1.608 0.496) 1.689 11.268 ( -5.375 -0.776 4.502) 7.054 11.383 ( -0.886 3.524 2.795) 4.584 11.421 ( -0.748 -2.354 0.206) 2.478 11.640 ( 1.470 -0.209 -2.486) 2.896 11.722 ( 1.945 3.334 1.395) 4.104 11.863 ( 0.292 -5.629 -5.370) 7.785 11.884 ( 3.995 4.704 1.868) 6.448 12.106 ( 0.909 -4.777 0.434) 4.882 12.398 ( -6.993 0.278 0.532) 7.019 12.417 ( -7.386 5.630 -2.838) 9.711 12.695 ( -3.361 3.914 -0.500) 5.184 12.765 ( -3.096 2.770 1.497) 4.416 13.050 ( -4.098 -1.105 1.282) 4.434 13.104 ( -5.735 3.879 -2.701) 7.432 13.186 ( 6.203 1.192 0.247) 6.322 13.334 ( 2.434 -3.292 -5.533) 6.883 13.643 ( -2.231 -5.041 8.065) 9.769 13.832 ( -0.358 -1.753 -3.109) 3.587 14.515 ( -6.134 -1.576 0.395) 6.346 14.566 ( -6.269 -2.579 -0.675) 6.812 15.366 ( 16.158 5.553 5.010) 17.805 15.564 ( 15.471 -7.858 2.260) 17.499 15.689 ( 21.620 -2.265 0.383) 21.742 15.975 ( 14.200 -0.107 -7.627) 16.120 17.155 ( -6.967 3.091 1.254) 7.724 17.324 ( -3.239 7.897 0.708) 8.564 17.419 ( -4.567 -4.584 -3.911) 7.561 17.456 ( 2.135 -1.792 1.989) 3.424 17.994 ( 4.369 1.015 3.721) 5.828 18.127 ( 5.688 1.271 -2.498) 6.341 19.158 ( -8.167 -4.737 2.225) 9.700 19.271 ( -9.665 -5.268 -2.408) 11.268 19.868 ( 7.151 -0.461 2.220) 7.502 19.955 ( 5.891 0.279 -2.350) 6.348 21.247 ( -19.200 3.744 2.625) 19.737 21.312 ( -21.397 6.155 -2.530) 22.408 22.483 ( -2.219 -2.589 5.435) 6.416 22.794 ( 2.538 -2.147 -8.416) 9.048 23.005 ( 11.873 -0.133 3.824) 12.474 23.110 ( 8.606 1.671 -1.974) 8.986 23.778 ( 3.123 -0.466 2.350) 3.936 23.864 ( 0.166 0.275 -1.546) 1.579 ======================= Grid point 170 (41/58) ======================= q-point: ( 0.27 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.747 ( 9.517 13.468 5.609) 17.419 2.948 ( 1.881 6.549 -2.977) 7.436 3.094 ( -0.230 3.815 2.579) 4.610 3.132 ( -1.590 -1.791 0.549) 2.457 3.152 ( 1.779 -1.525 -1.042) 2.565 3.243 ( 2.771 2.320 -3.759) 5.215 3.601 ( 4.667 7.739 1.466) 9.156 3.677 ( 2.734 6.277 -2.071) 7.153 3.887 ( -0.036 0.781 4.331) 4.401 4.047 ( -2.317 -4.543 -3.149) 5.994 5.324 ( -2.602 -6.456 1.972) 7.235 5.365 ( -4.715 -9.169 0.829) 10.343 5.567 ( -6.092 -2.079 1.609) 6.635 5.638 ( 0.317 -2.631 1.808) 3.208 5.834 ( 5.084 -2.333 -0.082) 5.594 5.985 ( -7.578 0.263 -4.266) 8.700 6.083 ( -5.249 -8.287 -1.493) 9.923 6.134 ( -1.297 -6.631 -4.026) 7.865 6.403 ( -5.568 -12.210 3.955) 13.990 6.531 ( -6.216 -9.566 -2.082) 11.597 7.286 ( 1.153 0.600 4.444) 4.630 7.378 ( -0.620 0.974 6.518) 6.620 7.712 ( 0.320 1.407 -11.880) 11.968 7.816 ( 0.533 1.060 -11.919) 11.978 8.073 ( 5.832 4.701 5.236) 9.139 8.261 ( 1.037 3.456 9.937) 10.572 8.317 ( -2.046 3.973 -1.891) 4.853 8.460 ( 2.219 4.092 12.554) 13.389 8.549 ( 6.994 3.763 -1.963) 8.181 8.638 ( -1.899 -0.325 4.697) 5.077 8.798 ( -0.811 0.483 -4.169) 4.275 8.862 ( -0.841 -3.345 -0.205) 3.455 8.970 ( -0.576 4.221 -3.550) 5.545 8.982 ( 5.485 2.845 -3.600) 7.151 9.210 ( -0.970 1.433 3.531) 3.932 9.278 ( 1.985 -2.199 4.031) 5.003 9.476 ( -1.900 -0.334 -11.724) 11.882 9.557 ( -5.171 -4.898 -10.938) 13.052 9.834 ( -5.209 -9.211 4.326) 11.432 9.873 ( -5.200 -11.981 2.954) 13.390 10.341 ( 2.079 5.417 8.178) 10.027 10.501 ( 2.597 3.702 4.034) 6.060 10.654 ( 12.454 2.730 -3.119) 13.126 10.720 ( -3.424 12.332 -6.160) 14.204 10.813 ( -0.796 1.432 0.174) 1.648 10.908 ( 1.749 0.859 -3.444) 3.957 11.074 ( 0.220 -4.124 1.835) 4.519 11.095 ( -0.959 -2.417 0.873) 2.743 11.310 ( 0.804 6.419 7.481) 9.890 11.453 ( -0.990 7.494 4.049) 8.575 11.493 ( 5.294 -1.020 -0.478) 5.412 11.603 ( -0.321 -3.115 -3.676) 4.829 11.700 ( -3.211 0.931 2.027) 3.910 11.779 ( -3.033 1.287 -3.546) 4.841 11.899 ( 4.849 -8.523 -0.849) 9.842 12.010 ( -5.590 -2.065 -4.257) 7.324 12.531 ( 2.994 8.595 3.377) 9.708 12.601 ( 5.770 4.074 0.775) 7.106 12.740 ( 1.789 2.349 2.277) 3.728 12.837 ( 1.927 0.889 -0.315) 2.146 13.048 ( -6.533 -3.737 -0.478) 7.541 13.134 ( -0.561 2.903 -5.449) 6.199 13.255 ( 5.646 3.719 0.666) 6.794 13.318 ( 4.279 3.440 -4.648) 7.193 13.588 ( -4.227 -2.034 7.718) 9.032 13.782 ( -2.141 -5.555 -2.831) 6.592 14.649 ( 5.846 7.356 0.888) 9.438 14.681 ( 3.664 8.341 -0.625) 9.131 15.142 ( -9.891 -8.142 7.910) 15.056 15.245 ( -3.289 -16.095 2.769) 16.659 15.307 ( -10.038 -16.314 0.973) 19.180 15.736 ( -6.059 -9.416 -12.034) 16.437 17.304 ( 5.016 3.370 2.628) 6.589 17.400 ( -0.821 2.213 -1.066) 2.590 17.407 ( -2.917 2.108 0.456) 3.628 17.454 ( 3.035 -0.188 -1.364) 3.332 17.928 ( -1.960 -3.410 4.026) 5.628 18.076 ( -0.477 -0.819 -2.664) 2.828 19.294 ( 4.818 7.809 2.565) 9.527 19.418 ( 4.695 8.545 -2.891) 10.169 19.718 ( -4.837 -7.595 2.285) 9.290 19.833 ( -3.768 -7.390 -2.756) 8.741 21.615 ( 9.341 17.857 2.776) 20.343 21.736 ( 11.495 18.461 -2.529) 21.894 22.414 ( -4.099 -8.354 4.582) 10.373 22.620 ( -7.404 -11.645 -4.570) 14.537 22.831 ( -3.063 -5.431 4.206) 7.521 23.052 ( -0.245 -0.319 -6.235) 6.248 23.726 ( -1.118 -1.971 4.392) 4.942 23.868 ( 0.135 0.239 -2.340) 2.356 ======================= Grid point 171 (42/58) ======================= q-point: ( 0.36 0.27 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 242 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.988 ( -8.935 0.463 2.654) 9.332 3.011 ( 5.272 6.304 1.988) 8.454 3.024 ( -1.450 4.656 0.740) 4.933 3.114 ( 0.661 -2.116 -0.512) 2.275 3.146 ( 2.126 -5.010 0.334) 5.453 3.259 ( 0.582 -1.707 -3.411) 3.859 3.721 ( -5.301 8.162 0.630) 9.753 3.758 ( -3.725 7.692 -1.056) 8.611 3.875 ( 2.250 -3.160 2.324) 4.522 3.973 ( 4.057 -7.550 -2.084) 8.821 5.247 ( 2.057 -4.512 1.080) 5.075 5.268 ( 2.671 -4.958 0.321) 5.641 5.540 ( -0.927 5.794 5.307) 7.912 5.623 ( -0.354 -1.472 3.313) 3.643 5.876 ( -4.770 -3.826 -5.637) 8.316 5.897 ( 4.431 0.807 -4.938) 6.684 5.980 ( 3.463 -0.974 0.248) 3.605 6.094 ( 2.574 -6.417 -4.768) 8.398 6.282 ( 2.507 -5.165 4.860) 7.522 6.426 ( 3.510 -5.649 -2.416) 7.076 7.302 ( -1.169 1.850 6.076) 6.458 7.371 ( 1.888 -3.008 8.443) 9.159 7.720 ( -2.343 5.038 -14.648) 15.666 7.824 ( 1.330 -3.622 -14.851) 15.344 8.107 ( -2.134 3.172 5.635) 6.810 8.287 ( -3.407 7.924 5.420) 10.187 8.380 ( 0.309 -0.771 4.637) 4.711 8.477 ( 2.592 -4.857 14.547) 15.554 8.647 ( -0.588 2.542 0.113) 2.612 8.697 ( -4.514 4.284 2.481) 6.700 8.776 ( -1.294 2.050 2.220) 3.287 8.856 ( -1.964 2.416 -1.425) 3.424 8.903 ( 1.039 3.298 -6.012) 6.936 9.053 ( -0.498 -2.239 -1.929) 2.997 9.235 ( -1.163 1.403 -4.538) 4.890 9.298 ( 2.007 -4.753 -3.423) 6.192 9.488 ( 0.938 3.388 -4.138) 5.430 9.513 ( 0.909 -1.732 -5.495) 5.833 9.698 ( 2.744 -6.793 1.160) 7.418 9.708 ( 4.222 -7.675 1.246) 8.848 10.381 ( -7.081 12.677 9.134) 17.154 10.602 ( 3.063 -3.815 7.848) 9.248 10.661 ( -6.866 7.766 0.565) 10.381 10.812 ( -1.113 2.780 -4.438) 5.354 10.852 ( -0.020 2.488 -2.912) 3.831 10.976 ( 2.147 -2.932 -7.959) 8.749 11.008 ( 1.886 -4.621 0.711) 5.042 11.049 ( 0.440 -2.438 -0.624) 2.555 11.429 ( -1.313 5.256 2.190) 5.844 11.452 ( -4.135 6.036 7.202) 10.266 11.510 ( 1.151 0.087 -1.260) 1.708 11.574 ( -0.246 -3.749 1.129) 3.923 11.695 ( 2.734 1.181 4.508) 5.403 11.769 ( -1.955 2.949 -1.817) 3.978 11.863 ( -2.682 -3.913 -7.141) 8.573 11.946 ( 6.082 -5.871 -4.382) 9.522 12.623 ( -2.877 7.060 4.691) 8.951 12.674 ( -2.958 4.538 5.502) 7.721 12.770 ( -1.138 -3.536 3.362) 5.010 12.854 ( -0.000 0.171 0.311) 0.355 12.985 ( 0.289 5.731 -4.890) 7.539 13.100 ( 1.105 -3.060 -9.996) 10.512 13.350 ( -4.448 4.444 1.647) 6.500 13.412 ( -4.253 6.544 -0.405) 7.815 13.539 ( 5.283 -5.159 4.743) 8.776 13.687 ( 4.341 -8.777 -2.415) 10.085 14.795 ( -5.892 5.050 0.429) 7.772 14.820 ( -3.379 8.324 -0.553) 9.001 14.959 ( 4.994 -0.093 7.875) 9.325 15.060 ( 3.674 -11.428 1.111) 12.056 15.133 ( 7.931 -15.040 4.237) 17.523 15.629 ( 2.982 -4.701 -12.897) 14.047 17.352 ( -2.961 2.680 1.218) 4.175 17.391 ( -0.251 1.882 0.861) 2.084 17.421 ( -0.253 2.183 0.018) 2.198 17.483 ( 1.294 -2.946 -1.457) 3.532 17.885 ( 0.674 -1.181 4.945) 5.128 18.071 ( -0.465 0.787 -3.436) 3.555 19.418 ( -3.038 4.878 2.767) 6.378 19.549 ( -2.003 3.838 -2.557) 5.028 19.600 ( 3.481 -5.569 1.757) 6.798 19.717 ( 3.054 -5.787 -2.991) 7.194 21.847 ( -9.386 17.079 3.219) 19.752 21.986 ( -10.755 17.914 -2.914) 21.096 22.269 ( 7.681 -14.066 3.930) 16.501 22.436 ( 8.781 -14.518 -3.454) 17.315 22.783 ( 0.391 -0.705 4.790) 4.858 23.053 ( -0.377 0.681 -7.783) 7.821 23.705 ( 0.546 -0.955 5.344) 5.456 23.871 ( -0.110 0.190 -2.648) 2.657 ======================= Grid point 266 (43/58) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 -0.000 -33.090) 33.090 1.208 ( 0.000 -0.000 -33.090) 33.090 1.208 ( 0.000 0.000 33.090) 33.090 1.208 ( 0.000 -0.000 33.090) 33.090 2.251 ( 0.000 0.000 -56.086) 56.086 2.251 ( 0.000 -0.000 56.086) 56.086 3.151 ( 0.000 0.000 -16.516) 16.516 3.151 ( 0.000 -0.000 -16.516) 16.516 3.151 ( 0.000 0.000 16.516) 16.516 3.151 ( -0.000 -0.000 16.516) 16.516 5.719 ( 0.000 -0.000 -1.457) 1.457 5.719 ( 0.000 0.000 1.457) 1.457 5.944 ( 0.000 -0.000 -7.451) 7.451 5.944 ( 0.000 0.000 7.451) 7.451 6.560 ( 0.000 0.000 -11.520) 11.520 6.560 ( -0.000 -0.000 -11.520) 11.520 6.560 ( 0.000 0.000 11.520) 11.520 6.560 ( 0.000 -0.000 11.520) 11.520 7.017 ( 0.000 -0.000 -15.383) 15.383 7.017 ( 0.000 0.000 15.383) 15.383 7.642 ( 0.000 0.000 -6.088) 6.088 7.642 ( -0.000 -0.000 -6.088) 6.088 7.642 ( 0.000 0.000 6.088) 6.088 7.642 ( 0.000 -0.000 6.088) 6.088 8.510 ( 0.000 -0.000 -21.197) 21.197 8.510 ( 0.000 0.000 21.197) 21.197 8.755 ( 0.000 -0.000 -5.544) 5.544 8.755 ( 0.000 0.000 -5.544) 5.544 8.755 ( 0.000 -0.000 5.544) 5.544 8.755 ( 0.000 0.000 5.544) 5.544 9.101 ( 0.000 0.000 -8.117) 8.117 9.101 ( 0.000 -0.000 -8.117) 8.117 9.101 ( 0.000 0.000 8.117) 8.117 9.101 ( 0.000 -0.000 8.117) 8.117 9.792 ( 0.000 0.000 -5.036) 5.036 9.792 ( 0.000 -0.000 -5.036) 5.036 9.792 ( 0.000 0.000 5.036) 5.036 9.792 ( 0.000 -0.000 5.036) 5.036 10.095 ( 0.000 -0.000 -14.768) 14.768 10.095 ( 0.000 0.000 14.768) 14.768 10.683 ( 0.000 0.000 -4.435) 4.435 10.683 ( 0.000 0.000 4.435) 4.435 10.688 ( 0.000 0.000 -0.825) 0.825 10.688 ( 0.000 0.000 0.825) 0.825 10.688 ( 0.000 -0.000 -0.825) 0.825 10.688 ( 0.000 -0.000 0.825) 0.825 11.180 ( 0.000 -0.000 -6.873) 6.873 11.180 ( 0.000 0.000 6.873) 6.873 11.229 ( 0.000 0.000 -0.784) 0.784 11.229 ( 0.000 -0.000 -0.784) 0.784 11.229 ( 0.000 0.000 0.784) 0.784 11.229 ( 0.000 -0.000 0.784) 0.784 11.933 ( 0.000 0.000 -6.416) 6.416 11.933 ( 0.000 -0.000 -6.416) 6.416 11.933 ( 0.000 0.000 6.416) 6.416 11.933 ( 0.000 -0.000 6.416) 6.416 12.161 ( 0.000 -0.000 -6.555) 6.555 12.161 ( 0.000 0.000 6.555) 6.555 12.494 ( 0.000 0.000 -6.063) 6.063 12.494 ( 0.000 -0.000 -6.063) 6.063 12.494 ( 0.000 0.000 6.063) 6.063 12.494 ( 0.000 -0.000 6.063) 6.063 13.461 ( 0.000 0.000 -7.602) 7.602 13.461 ( 0.000 -0.000 7.602) 7.602 14.220 ( 0.000 0.000 -0.925) 0.925 14.220 ( -0.000 -0.000 -0.925) 0.925 14.220 ( 0.000 0.000 0.925) 0.925 14.220 ( 0.000 -0.000 0.925) 0.925 15.194 ( 0.000 0.000 -8.901) 8.901 15.194 ( 0.000 -0.000 8.901) 8.901 17.098 ( 0.000 0.000 -0.275) 0.275 17.098 ( 0.000 -0.000 -0.275) 0.275 17.098 ( 0.000 0.000 0.275) 0.275 17.098 ( 0.000 -0.000 0.275) 0.275 18.703 ( 0.000 0.000 -1.614) 1.614 18.703 ( 0.000 0.000 -1.614) 1.614 18.703 ( 0.000 0.000 1.614) 1.614 18.703 ( 0.000 -0.000 1.614) 1.614 18.775 ( 0.000 -0.000 -2.939) 2.939 18.775 ( 0.000 0.000 2.939) 2.939 20.062 ( 0.000 0.000 -0.847) 0.847 20.062 ( 0.000 -0.000 -0.847) 0.847 20.062 ( 0.000 0.000 0.847) 0.847 20.062 ( -0.000 -0.000 0.847) 0.847 20.423 ( 0.000 0.000 -0.349) 0.349 20.423 ( 0.000 0.000 0.349) 0.349 23.891 ( 0.000 -0.000 -1.707) 1.707 23.891 ( 0.000 0.000 1.707) 1.707 24.062 ( 0.000 0.000 -1.678) 1.678 24.062 ( 0.000 0.000 1.678) 1.678 ======================= Grid point 268 (44/58) ======================= q-point: ( 0.09 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 10.378 5.992 -26.815) 29.371 1.484 ( 23.698 13.682 23.014) 35.756 1.502 ( 17.809 10.282 28.238) 34.932 1.596 ( 19.370 11.183 -29.463) 36.991 2.424 ( 14.443 8.339 47.533) 50.374 2.481 ( 20.910 12.072 -44.294) 50.447 3.061 ( -3.513 -2.028 -16.701) 17.186 3.110 ( 0.583 0.336 15.087) 15.102 3.241 ( 3.713 2.144 12.660) 13.366 3.274 ( 6.084 3.512 -11.529) 13.501 5.676 ( -3.318 -1.915 -1.182) 4.009 5.680 ( -2.897 -1.672 0.832) 3.447 5.934 ( -0.816 -0.471 -7.495) 7.554 5.935 ( -0.785 -0.453 7.610) 7.664 6.473 ( -4.397 -2.539 5.868) 7.760 6.543 ( 1.248 0.721 -5.122) 5.321 6.586 ( -1.141 -0.659 -7.169) 7.289 6.663 ( 5.417 3.127 7.304) 9.616 6.986 ( -2.429 -1.402 -15.615) 15.865 6.994 ( -1.453 -0.839 15.218) 15.310 7.586 ( -3.406 -1.967 -2.384) 4.599 7.657 ( 2.779 1.604 2.400) 4.007 7.673 ( 1.566 0.904 1.173) 2.156 7.691 ( 1.565 0.904 -1.006) 2.069 8.306 ( -14.304 -8.258 11.255) 19.987 8.369 ( -7.630 -4.405 -13.447) 16.076 8.719 ( -4.084 -2.358 2.671) 5.420 8.741 ( -1.566 -0.904 -4.457) 4.810 8.807 ( 0.579 0.334 3.529) 3.592 8.848 ( 2.159 1.247 2.711) 3.683 8.955 ( -11.655 -6.729 1.452) 13.536 9.019 ( -3.376 -1.949 -1.039) 4.034 9.093 ( -1.664 -0.961 -6.297) 6.583 9.121 ( 3.079 1.778 3.575) 5.042 9.659 ( -8.893 -5.134 -8.171) 13.123 9.679 ( -9.191 -5.306 6.862) 12.638 9.744 ( -0.963 -0.556 6.380) 6.477 9.808 ( -0.055 -0.032 -6.051) 6.052 10.070 ( -2.211 -1.277 -9.784) 10.112 10.132 ( 1.046 0.604 9.691) 9.766 10.402 ( -9.540 -5.508 2.371) 11.268 10.423 ( -2.729 -1.575 -0.555) 3.199 10.622 ( -1.354 -0.782 0.690) 1.709 10.742 ( -3.521 -2.033 -2.911) 5.001 10.846 ( -6.166 -3.560 2.011) 7.399 10.936 ( -3.781 -2.183 -10.883) 11.726 10.971 ( -3.196 -1.845 12.653) 13.180 11.079 ( 8.162 4.712 -5.835) 11.085 11.194 ( -1.316 -0.760 1.014) 1.827 11.233 ( 3.109 1.795 2.140) 4.180 11.448 ( 8.859 5.115 1.810) 10.389 11.462 ( 8.879 5.127 -1.560) 10.371 11.685 ( -4.397 -2.539 -0.119) 5.079 11.759 ( -3.939 -2.274 -0.921) 4.641 11.852 ( -3.778 -2.181 2.230) 4.899 11.967 ( -0.379 -0.219 -0.409) 0.599 12.267 ( -0.556 -0.321 -5.304) 5.343 12.326 ( 3.203 1.849 6.651) 7.611 12.437 ( -3.000 -1.732 3.964) 5.264 12.464 ( -3.126 -1.805 -4.754) 5.970 12.723 ( 17.225 9.945 1.626) 19.956 12.750 ( 17.868 10.316 -2.996) 20.848 13.424 ( -3.711 -2.143 7.801) 8.901 13.432 ( -3.332 -1.923 -8.462) 9.295 13.766 ( -22.674 -13.091 -10.364) 28.158 13.845 ( -16.069 -9.278 9.944) 21.052 14.241 ( 2.091 1.207 -0.910) 2.581 14.252 ( 2.308 1.333 0.709) 2.758 15.576 ( 18.857 10.887 -13.687) 25.718 15.619 ( 21.218 12.250 13.780) 28.110 17.055 ( -6.173 -3.564 2.073) 7.423 17.062 ( -3.273 -1.890 -0.000) 3.779 17.076 ( -2.021 -1.167 -0.274) 2.349 17.097 ( -0.239 -0.138 -0.028) 0.277 17.998 ( -32.312 -18.655 2.284) 37.380 18.012 ( -33.403 -19.285 -3.129) 38.697 18.695 ( -5.910 -3.412 -1.447) 6.976 18.709 ( -5.223 -3.016 0.159) 6.034 18.730 ( 0.374 0.216 1.596) 1.653 18.771 ( 1.882 1.087 -0.135) 2.178 20.060 ( 0.339 0.196 -0.219) 0.448 20.066 ( 1.237 0.714 -0.052) 1.429 20.115 ( 5.301 3.061 -0.159) 6.123 20.171 ( 8.399 4.849 0.208) 9.700 21.249 ( 43.237 24.963 -18.010) 53.075 21.259 ( 43.656 25.205 17.913) 53.498 23.810 ( -6.256 -3.612 4.168) 8.340 23.813 ( -5.912 -3.413 -4.150) 7.989 24.029 ( -2.610 -1.507 2.096) 3.671 24.030 ( -2.459 -1.420 -2.062) 3.509 ======================= Grid point 270 (45/58) ======================= q-point: ( 0.18 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 18.428 10.640 -15.318) 26.219 1.969 ( 18.408 10.628 0.416) 21.259 1.986 ( 17.742 10.243 -10.062) 22.825 2.038 ( 20.977 12.111 20.609) 31.804 2.890 ( 22.164 12.796 22.095) 33.811 2.991 ( -0.896 -0.517 -14.564) 14.601 3.091 ( 16.851 9.729 -5.955) 20.349 3.219 ( 16.456 9.501 -3.685) 19.356 3.324 ( 3.284 1.896 8.243) 9.073 3.433 ( 8.324 4.806 -4.442) 10.589 5.589 ( -3.473 -2.005 0.217) 4.016 5.613 ( -1.982 -1.144 -1.655) 2.824 5.902 ( -2.009 -1.160 -8.062) 8.389 5.904 ( -1.946 -1.123 7.154) 7.498 6.365 ( -4.583 -2.646 6.833) 8.642 6.496 ( -6.078 -3.509 -5.547) 8.945 6.578 ( -0.152 -0.088 -2.713) 2.718 6.769 ( 2.395 1.383 6.198) 6.787 6.934 ( -0.656 -0.379 -16.193) 16.211 6.948 ( -3.060 -1.767 12.588) 13.075 7.508 ( -2.441 -1.409 -0.644) 2.891 7.673 ( -2.722 -1.571 -7.896) 8.499 7.716 ( 0.856 0.494 9.323) 9.375 7.757 ( 3.189 1.841 3.495) 5.078 7.932 ( -13.529 -7.811 4.647) 16.299 8.144 ( -13.379 -7.725 -5.973) 16.564 8.568 ( -7.494 -4.326 0.098) 8.653 8.633 ( -6.189 -3.573 5.261) 8.874 8.684 ( -5.713 -3.298 -6.595) 9.328 8.776 ( -9.327 -5.385 0.331) 10.775 8.809 ( -0.713 -0.412 3.065) 3.174 8.934 ( -4.504 -2.600 -0.543) 5.229 9.125 ( 3.402 1.964 -5.915) 7.100 9.178 ( 1.423 0.822 4.611) 4.895 9.406 ( -11.336 -6.545 -4.680) 13.901 9.539 ( -1.331 -0.769 -1.364) 2.055 9.755 ( -0.147 -0.085 7.342) 7.344 9.810 ( -0.355 -0.205 -5.495) 5.510 9.959 ( -6.343 -3.662 -0.945) 7.385 10.049 ( -5.694 -3.287 -2.696) 7.106 10.343 ( 4.548 2.626 -3.077) 6.087 10.432 ( -6.679 -3.856 9.955) 12.593 10.583 ( -6.224 -3.593 -12.027) 14.010 10.590 ( 3.845 2.220 7.221) 8.477 10.745 ( 0.491 0.283 -1.519) 1.622 10.855 ( -4.783 -2.762 16.735) 17.622 10.867 ( -3.682 -2.126 -6.719) 7.952 11.115 ( -2.335 -1.348 -11.844) 12.147 11.208 ( 0.657 0.379 6.720) 6.762 11.369 ( 4.441 2.564 2.363) 5.646 11.544 ( 1.464 0.845 -1.807) 2.474 11.609 ( 4.696 2.711 -0.058) 5.422 11.740 ( -0.388 -0.224 0.754) 0.877 11.777 ( 0.751 0.434 0.567) 1.036 11.885 ( 10.538 6.084 4.703) 13.045 11.934 ( -0.411 -0.237 -4.557) 4.582 12.260 ( 1.705 0.984 -3.753) 4.238 12.352 ( -0.179 -0.103 4.893) 4.897 12.379 ( -2.697 -1.557 -2.446) 3.960 12.395 ( -0.334 -0.193 -0.571) 0.689 13.062 ( 6.966 4.022 2.810) 8.521 13.156 ( 15.252 8.806 -1.508) 17.676 13.240 ( -7.196 -4.155 -11.580) 14.253 13.294 ( -5.894 -3.403 7.305) 9.985 13.486 ( -4.240 -2.448 -2.537) 5.514 13.670 ( -0.028 -0.016 5.012) 5.012 14.316 ( 4.173 2.410 -0.499) 4.845 14.323 ( 3.572 2.062 0.441) 4.148 15.878 ( 5.633 3.252 -4.807) 8.088 15.951 ( 6.968 4.023 4.707) 9.322 16.766 ( -15.066 -8.698 1.623) 17.472 16.832 ( -19.010 -10.975 -0.912) 21.970 17.011 ( -3.121 -1.802 -0.350) 3.621 17.057 ( -2.165 -1.250 -0.473) 2.544 17.526 ( -10.333 -5.966 -5.278) 13.047 17.529 ( -6.655 -3.842 5.936) 9.710 18.486 ( -10.066 -5.811 1.930) 11.782 18.496 ( -9.943 -5.741 -2.070) 11.666 18.843 ( 7.287 4.207 0.783) 8.450 18.885 ( 6.886 3.976 -0.532) 7.969 20.067 ( -0.030 -0.017 0.273) 0.275 20.092 ( 0.801 0.462 -0.435) 1.022 20.298 ( 9.704 5.603 0.745) 11.230 20.414 ( 11.682 6.744 -0.672) 13.506 22.035 ( 23.956 13.831 -17.979) 32.991 22.055 ( 24.322 14.042 17.671) 33.181 23.628 ( -8.965 -5.176 6.345) 12.142 23.646 ( -8.098 -4.676 -6.330) 11.292 23.953 ( -3.553 -2.051 2.906) 5.027 23.960 ( -3.232 -1.866 -2.686) 4.599 ======================= Grid point 272 (46/58) ======================= q-point: ( 0.27 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( 19.416 11.210 -6.424) 23.322 2.328 ( 15.352 8.863 -23.898) 29.755 2.468 ( 16.295 9.408 19.676) 27.225 2.476 ( 20.400 11.778 13.238) 27.021 2.981 ( 0.728 0.420 -11.289) 11.320 3.253 ( 7.453 4.303 3.030) 9.123 3.256 ( 4.772 2.755 4.446) 7.080 3.392 ( 2.553 1.474 2.815) 4.076 3.732 ( 15.828 9.139 -1.133) 18.312 3.747 ( 17.702 10.220 -1.678) 20.509 5.526 ( -2.300 -1.328 4.183) 4.955 5.622 ( 2.952 1.705 -4.874) 5.948 5.834 ( -3.956 -2.284 -9.980) 10.976 5.849 ( -2.128 -1.228 4.398) 5.038 6.261 ( -4.508 -2.603 6.031) 7.967 6.320 ( -9.064 -5.233 -3.578) 11.061 6.472 ( -8.101 -4.677 -0.778) 9.387 6.714 ( -7.176 -4.143 6.160) 10.325 6.847 ( -5.181 -2.991 6.982) 9.194 6.995 ( 4.919 2.840 -12.067) 13.337 7.487 ( -16.336 -9.431 -3.935) 19.269 7.495 ( 1.082 0.625 -1.805) 2.195 7.531 ( -10.598 -6.119 4.421) 13.012 7.662 ( -2.690 -1.553 12.678) 13.053 7.930 ( -1.318 -0.761 -8.633) 8.766 8.025 ( 11.236 6.487 3.414) 13.416 8.400 ( -6.534 -3.772 -2.266) 7.878 8.509 ( -8.513 -4.915 3.373) 10.392 8.548 ( -3.561 -2.056 4.506) 6.100 8.648 ( 0.626 0.362 -1.538) 1.700 8.701 ( -9.565 -5.523 0.407) 11.053 8.831 ( -3.558 -2.054 -9.366) 10.228 9.184 ( 1.586 0.916 -6.118) 6.386 9.187 ( -5.982 -3.454 0.938) 6.971 9.208 ( 0.555 0.320 11.220) 11.238 9.587 ( 3.360 1.940 -8.983) 9.785 9.653 ( -5.646 -3.260 5.149) 8.308 9.732 ( -6.530 -3.770 -5.255) 9.190 9.898 ( -0.992 -0.573 0.400) 1.213 9.936 ( -3.878 -2.239 -3.343) 5.588 10.244 ( -6.343 -3.662 9.100) 11.681 10.379 ( -3.621 -2.091 -8.440) 9.419 10.578 ( 4.971 2.870 -2.948) 6.453 10.585 ( -4.604 -2.658 5.207) 7.441 10.797 ( -1.737 -1.003 -1.611) 2.572 10.798 ( 5.374 3.103 2.199) 6.584 10.918 ( 6.428 3.711 8.715) 11.448 11.079 ( 0.814 0.470 -5.624) 5.702 11.201 ( -0.663 -0.383 1.768) 1.926 11.363 ( -3.868 -2.233 1.577) 4.737 11.538 ( -1.182 -0.682 -1.130) 1.772 11.683 ( -0.268 -0.155 0.414) 0.516 11.743 ( -0.146 -0.084 3.127) 3.131 11.746 ( -0.040 -0.023 1.789) 1.790 11.969 ( 1.643 0.949 -4.010) 4.436 12.122 ( 8.712 5.030 0.804) 10.091 12.284 ( -3.232 -1.866 -1.143) 3.903 12.358 ( 5.225 3.017 -8.425) 10.363 12.411 ( 1.787 1.032 2.261) 3.061 12.424 ( 4.146 2.394 2.333) 5.326 13.046 ( -4.869 -2.811 -3.868) 6.824 13.085 ( -3.320 -1.917 3.012) 4.876 13.225 ( 0.781 0.451 2.079) 2.267 13.379 ( -3.031 -1.750 3.179) 4.729 13.592 ( 14.122 8.153 -6.690) 17.626 13.744 ( 4.229 2.441 3.708) 6.131 14.417 ( 4.450 2.569 -0.175) 5.141 14.427 ( 5.052 2.917 0.444) 5.850 15.812 ( -9.214 -5.320 0.223) 10.642 15.953 ( -7.184 -4.148 -0.121) 8.297 16.340 ( -18.299 -10.565 1.507) 21.183 16.486 ( -10.173 -5.873 -1.778) 11.881 16.971 ( 0.606 0.350 0.120) 0.710 17.032 ( 0.196 0.113 -0.913) 0.940 17.378 ( -3.164 -1.827 -1.931) 4.132 17.501 ( 0.990 0.571 2.255) 2.528 18.257 ( -9.140 -5.277 4.984) 11.671 18.276 ( -8.507 -4.912 -4.137) 10.659 19.058 ( 10.686 6.169 0.826) 12.367 19.083 ( 9.708 5.605 -1.209) 11.275 20.047 ( -1.863 -1.075 1.209) 2.467 20.090 ( -1.271 -0.734 -1.434) 2.051 20.550 ( 11.426 6.597 1.888) 13.328 20.696 ( 11.917 6.880 -1.550) 13.848 22.440 ( 11.969 6.910 -12.643) 18.731 22.467 ( 12.169 7.026 12.181) 18.597 23.396 ( -10.654 -6.151 5.147) 13.336 23.433 ( -9.997 -5.772 -4.928) 12.551 23.879 ( -2.477 -1.430 2.269) 3.651 23.892 ( -2.438 -1.407 -2.062) 3.489 ======================= Grid point 274 (47/58) ======================= q-point: ( 0.36 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.514 ( 17.208 9.935 -1.064) 19.899 2.680 ( 13.906 8.028 -16.344) 22.912 2.806 ( 12.104 6.988 14.553) 20.178 2.909 ( 15.768 9.103 6.603) 19.367 3.027 ( 3.226 1.863 -6.287) 7.308 3.324 ( -0.104 -0.060 1.083) 1.090 3.331 ( 1.134 0.655 -0.485) 1.397 3.444 ( 1.554 0.897 1.132) 2.122 3.999 ( 5.175 2.988 7.191) 9.350 4.022 ( 7.487 4.322 -7.416) 11.390 5.449 ( -4.155 -2.399 6.690) 8.233 5.702 ( -1.941 -1.120 -5.505) 5.943 5.724 ( -0.967 -0.558 -7.833) 7.912 5.834 ( 0.509 0.294 0.765) 0.964 6.059 ( -12.152 -7.016 0.465) 14.040 6.111 ( -8.973 -5.181 -2.584) 10.679 6.317 ( -2.413 -1.393 7.483) 7.985 6.553 ( -4.301 -2.483 0.919) 5.050 6.699 ( -7.127 -4.115 0.945) 8.283 6.997 ( -12.977 -7.492 6.804) 16.457 7.183 ( 0.948 0.548 -12.280) 12.329 7.380 ( -2.775 -1.602 4.825) 5.792 7.565 ( 4.140 2.390 -6.523) 8.087 7.650 ( 1.205 0.696 10.016) 10.113 7.953 ( 1.895 1.094 -5.652) 6.060 8.262 ( -1.688 -0.974 -3.404) 3.922 8.312 ( 4.437 2.562 1.675) 5.390 8.321 ( -5.911 -3.413 5.488) 8.758 8.448 ( -5.054 -2.918 0.255) 5.841 8.555 ( 2.714 1.567 4.303) 5.323 8.689 ( 2.532 1.462 3.283) 4.396 8.760 ( -2.703 -1.560 -11.534) 11.948 9.072 ( -4.746 -2.740 4.301) 6.967 9.192 ( -1.548 -0.894 -6.393) 6.639 9.216 ( 0.156 0.090 9.544) 9.546 9.476 ( -10.411 -6.011 -7.329) 14.079 9.588 ( 0.095 0.055 7.191) 7.192 9.719 ( 3.862 2.230 -9.666) 10.645 9.852 ( -2.203 -1.272 -3.797) 4.570 9.854 ( -2.393 -1.381 3.195) 4.224 10.097 ( -7.286 -4.207 -0.229) 8.416 10.279 ( -5.028 -2.903 -0.406) 5.820 10.546 ( 1.083 0.625 2.335) 2.648 10.683 ( 2.486 1.435 -1.843) 3.411 10.721 ( -2.344 -1.353 3.374) 4.325 10.927 ( 5.760 3.326 -0.274) 6.657 11.009 ( 0.282 0.163 1.829) 1.858 11.174 ( 1.392 0.804 6.413) 6.611 11.215 ( 5.276 3.046 -6.887) 9.194 11.287 ( -1.626 -0.939 0.962) 2.110 11.519 ( -0.345 -0.199 -1.780) 1.824 11.644 ( -1.822 -1.052 -2.296) 3.115 11.719 ( -1.227 -0.709 4.754) 4.961 11.748 ( 0.146 0.084 2.454) 2.460 11.995 ( 0.721 0.416 2.059) 2.220 12.200 ( -3.419 -1.974 -1.816) 4.345 12.289 ( 4.297 2.481 -5.703) 7.560 12.397 ( -0.569 -0.329 4.414) 4.463 12.522 ( 5.699 3.290 -6.638) 9.347 12.538 ( 5.215 3.011 1.767) 6.276 12.971 ( -2.191 -1.265 0.759) 2.642 12.995 ( -3.617 -2.088 -0.422) 4.198 13.296 ( 4.208 2.429 -3.573) 6.031 13.317 ( -1.252 -0.723 5.087) 5.289 13.818 ( 2.030 1.172 4.522) 5.094 13.843 ( 6.615 3.819 -4.765) 9.002 14.528 ( 4.797 2.770 -1.080) 5.644 14.542 ( 4.495 2.595 1.723) 5.469 15.589 ( -7.926 -4.576 -0.912) 9.197 15.671 ( -12.819 -7.401 1.094) 14.842 16.046 ( -8.548 -4.935 -0.242) 9.873 16.213 ( -12.590 -7.269 -0.690) 14.554 17.022 ( 2.635 1.522 1.301) 3.309 17.059 ( 1.679 0.969 -1.390) 2.386 17.372 ( 2.301 1.328 1.288) 2.953 17.521 ( 0.353 0.204 -1.775) 1.821 18.070 ( -6.507 -3.757 5.475) 9.297 18.101 ( -6.390 -3.689 -4.185) 8.483 19.325 ( 11.595 6.694 1.944) 13.529 19.325 ( 10.555 6.094 -2.436) 12.429 19.973 ( -4.481 -2.587 2.140) 5.599 20.023 ( -4.519 -2.609 -2.366) 5.729 20.816 ( 10.709 6.183 2.587) 12.633 20.947 ( 8.862 5.116 -2.137) 10.454 22.647 ( 6.541 3.777 -9.185) 11.892 22.674 ( 6.323 3.651 8.644) 11.315 23.145 ( -10.157 -5.864 1.851) 11.873 23.187 ( -10.516 -6.071 -1.363) 12.219 23.838 ( -1.093 -0.631 0.442) 1.337 23.848 ( -1.331 -0.769 -0.431) 1.596 ======================= Grid point 276 (48/58) ======================= q-point: ( 0.45 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 138 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.869 ( 11.938 6.892 1.174) 13.835 2.933 ( 6.264 3.616 -9.943) 12.296 3.009 ( 4.955 2.861 9.221) 10.852 3.088 ( 0.623 0.360 -1.621) 1.774 3.178 ( 5.075 2.930 1.972) 6.182 3.276 ( -3.618 -2.089 0.494) 4.207 3.341 ( 2.795 1.614 -5.432) 6.319 3.436 ( -2.685 -1.550 3.583) 4.738 4.068 ( 1.882 1.087 8.982) 9.241 4.098 ( -0.009 -0.005 -9.029) 9.029 5.395 ( 1.156 0.668 4.955) 5.131 5.522 ( -8.568 -4.947 -5.719) 11.428 5.777 ( 2.044 1.180 2.885) 3.727 5.822 ( -1.780 -1.028 -1.233) 2.397 5.866 ( -2.781 -1.605 -1.152) 3.411 5.916 ( -6.049 -3.493 -2.929) 7.575 6.358 ( 4.871 2.813 7.409) 9.302 6.492 ( -4.545 -2.624 -3.172) 6.132 6.570 ( -0.162 -0.094 -6.946) 6.949 6.695 ( -9.705 -5.603 9.178) 14.485 7.266 ( 3.498 2.020 -9.809) 10.608 7.332 ( -2.173 -1.254 7.341) 7.758 7.663 ( 3.138 1.812 -9.474) 10.143 7.685 ( 0.938 0.541 9.278) 9.341 8.006 ( 2.975 1.717 0.982) 3.572 8.124 ( -7.401 -4.273 -4.807) 9.806 8.245 ( -0.898 -0.518 -2.474) 2.683 8.247 ( -0.970 -0.560 5.938) 6.042 8.619 ( 2.393 1.381 5.176) 5.867 8.657 ( 3.743 2.161 -6.999) 8.226 8.737 ( 7.833 4.522 0.987) 9.098 8.786 ( 5.693 3.287 2.912) 7.190 8.942 ( -6.095 -3.519 1.272) 7.152 9.044 ( -11.534 -6.659 -3.644) 13.808 9.235 ( 1.609 0.929 11.712) 11.859 9.295 ( -4.016 -2.319 -12.107) 12.965 9.634 ( 3.436 1.984 4.840) 6.259 9.722 ( -3.221 -1.860 0.384) 3.739 9.832 ( 0.895 0.517 -3.086) 3.255 9.888 ( -0.120 -0.069 -2.114) 2.118 9.957 ( 1.222 0.706 -5.483) 5.662 10.123 ( -8.073 -4.661 4.737) 10.456 10.570 ( 0.569 0.329 1.670) 1.795 10.602 ( -2.847 -1.644 -1.375) 3.563 10.850 ( 6.784 3.917 3.556) 8.603 10.970 ( -3.013 -1.739 -2.139) 4.084 11.086 ( 7.164 4.136 -2.932) 8.777 11.175 ( -0.230 -0.133 3.437) 3.448 11.245 ( -2.017 -1.165 -4.100) 4.716 11.268 ( -2.659 -1.535 4.034) 5.070 11.526 ( 1.204 0.695 -2.043) 2.471 11.578 ( -3.132 -1.809 -0.506) 3.652 11.751 ( 3.777 2.181 4.686) 6.402 11.794 ( 1.817 1.049 -4.213) 4.707 12.005 ( 1.152 0.665 11.514) 11.591 12.095 ( -5.262 -3.038 -8.484) 10.435 12.348 ( 1.323 0.764 -7.313) 7.470 12.374 ( -1.087 -0.628 7.196) 7.305 12.632 ( 3.170 1.830 -7.142) 8.025 12.640 ( 2.654 1.532 4.238) 5.230 12.924 ( -1.555 -0.898 2.903) 3.414 12.927 ( -1.893 -1.093 -2.083) 3.019 13.335 ( 2.199 1.270 5.639) 6.184 13.365 ( 0.736 0.425 -5.826) 5.888 13.861 ( 2.139 1.235 3.875) 4.596 13.906 ( -0.636 -0.367 -3.301) 3.382 14.619 ( 2.355 1.360 -1.961) 3.353 14.623 ( 1.981 1.144 2.486) 3.379 15.466 ( -2.683 -1.549 -0.323) 3.115 15.471 ( -3.801 -2.194 0.002) 4.389 15.906 ( -2.711 -1.565 0.534) 3.176 15.960 ( -7.486 -4.322 -0.843) 8.686 17.072 ( 1.560 0.901 0.987) 2.054 17.088 ( 0.373 0.215 -1.022) 1.109 17.450 ( 3.532 2.039 3.356) 5.282 17.510 ( -1.397 -0.806 -3.517) 3.869 17.966 ( -1.973 -1.139 4.205) 4.783 17.984 ( -3.244 -1.873 -3.626) 5.213 19.555 ( 8.145 4.703 -3.778) 10.136 19.572 ( 8.050 4.648 3.657) 9.989 19.850 ( -4.854 -2.802 2.219) 6.028 19.885 ( -6.507 -3.757 -2.408) 7.890 21.023 ( 6.263 3.616 2.680) 7.713 21.079 ( 1.808 1.044 -2.452) 3.220 22.780 ( 5.211 3.009 -6.637) 8.959 22.793 ( 4.190 2.419 6.205) 7.868 22.945 ( -6.404 -3.698 -1.756) 7.601 22.964 ( -7.886 -4.553 2.177) 9.363 23.824 ( -0.208 -0.120 -0.856) 0.889 23.827 ( -0.479 -0.277 0.831) 0.998 ======================= Grid point 290 (49/58) ======================= q-point: ( 0.09 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 0.067 26.246 -18.655) 32.200 1.657 ( 22.696 13.181 18.655) 32.200 1.905 ( 9.110 18.208 -27.524) 34.236 1.905 ( 11.214 16.993 27.524) 34.236 2.852 ( 21.603 22.146 -25.956) 40.384 2.852 ( 8.378 29.782 25.956) 40.384 3.069 ( -4.675 3.251 -13.303) 14.470 3.069 ( 5.153 -2.424 13.303) 14.470 3.356 ( 6.231 4.750 -7.556) 10.885 3.356 ( 0.998 7.771 7.556) 10.885 5.621 ( -1.473 -3.294 -0.396) 3.630 5.621 ( -2.116 -2.923 0.396) 3.630 5.912 ( -1.084 -1.799 -7.583) 7.869 5.912 ( -1.016 -1.838 7.583) 7.869 6.435 ( 0.377 -6.519 -7.741) 10.127 6.435 ( -5.834 -2.933 7.741) 10.127 6.682 ( -2.184 3.817 -6.713) 8.025 6.682 ( 4.398 0.017 6.713) 8.025 6.960 ( -1.502 -1.081 -13.549) 13.675 6.960 ( -0.185 -1.841 13.549) 13.675 7.583 ( -5.935 0.897 -5.132) 7.898 7.583 ( 3.744 -4.692 5.132) 7.898 7.738 ( -0.859 3.859 -5.029) 6.397 7.738 ( 3.771 1.185 5.029) 6.397 8.109 ( -2.536 -18.327 -7.965) 20.144 8.109 ( -14.604 -11.360 7.965) 20.144 8.669 ( -4.011 -2.378 -4.949) 6.800 8.669 ( -0.054 -4.663 4.949) 6.800 8.794 ( -6.472 -6.221 -2.620) 9.352 8.794 ( -2.152 -8.716 2.620) 9.352 8.867 ( 2.149 -6.173 -3.464) 7.397 8.867 ( -6.420 -1.226 3.464) 7.397 9.135 ( -1.329 1.709 -5.096) 5.537 9.135 ( 2.145 -0.296 5.096) 5.537 9.515 ( -6.418 -6.147 -4.922) 10.159 9.515 ( -2.114 -8.632 4.922) 10.159 9.724 ( -0.615 -2.714 -4.785) 5.535 9.724 ( -2.043 -1.889 4.785) 5.535 10.134 ( 2.717 -1.547 -7.211) 7.860 10.134 ( -2.698 1.580 7.211) 7.860 10.376 ( 0.659 1.329 -3.920) 4.192 10.376 ( 0.822 1.235 3.920) 4.192 10.581 ( -2.199 -9.200 -8.795) 12.916 10.581 ( -6.868 -6.505 8.795) 12.916 10.790 ( -2.624 0.185 -9.885) 10.229 10.790 ( 1.472 -2.180 9.885) 10.229 11.061 ( -4.939 -1.310 -4.864) 7.055 11.061 ( 1.335 -4.932 4.864) 7.055 11.201 ( -4.832 2.002 -8.251) 9.769 11.201 ( 4.149 -3.183 8.251) 9.769 11.599 ( 3.898 5.764 -2.563) 7.415 11.599 ( 3.042 6.258 2.563) 7.415 11.750 ( 1.321 8.784 -2.110) 9.130 11.750 ( 6.947 5.536 2.110) 9.130 11.900 ( 3.437 -3.491 -3.786) 6.191 11.900 ( -4.742 1.230 3.786) 6.191 12.253 ( -1.113 -2.365 -6.221) 6.748 12.253 ( -1.491 -2.147 6.221) 6.748 12.445 ( -1.462 1.671 -4.302) 4.841 12.445 ( 2.178 -0.431 4.302) 4.841 13.016 ( 8.117 12.827 -0.573) 15.190 13.016 ( 7.050 13.443 0.573) 15.190 13.329 ( -4.744 -6.011 -8.505) 11.444 13.329 ( -2.833 -7.114 8.505) 11.444 13.594 ( -9.440 -2.409 -5.378) 11.129 13.594 ( 2.634 -9.380 5.378) 11.129 14.289 ( 1.970 2.865 -1.076) 3.640 14.289 ( 1.496 3.139 1.076) 3.640 15.865 ( 4.541 11.281 -8.526) 14.852 15.865 ( 7.500 9.573 8.526) 14.852 16.889 ( -6.464 -17.840 -3.369) 19.272 16.889 ( -12.218 -14.518 3.369) 19.272 17.055 ( -2.986 0.023 -1.155) 3.202 17.055 ( 1.513 -2.575 1.155) 3.202 17.618 ( -7.699 -12.599 -8.017) 16.801 17.618 ( -7.062 -12.967 8.017) 16.801 18.557 ( -5.504 -10.397 -1.058) 11.811 18.557 ( -6.252 -9.965 1.058) 11.811 18.791 ( 3.922 3.215 -1.194) 5.210 18.791 ( 0.823 5.004 1.194) 5.210 20.054 ( 1.734 -1.073 -0.487) 2.097 20.054 ( -1.797 0.966 0.487) 2.097 20.331 ( 10.073 10.387 -0.471) 14.476 20.331 ( 3.959 13.916 0.471) 14.476 21.874 ( 15.902 29.027 -19.246) 38.286 21.874 ( 17.187 28.285 19.246) 38.286 23.689 ( -4.173 -8.296 -6.122) 11.123 23.689 ( -5.098 -7.762 6.122) 11.123 23.978 ( -1.755 -3.496 -2.668) 4.735 23.978 ( -2.150 -3.268 2.668) 4.735 ======================= Grid point 292 (50/58) ======================= q-point: ( 0.18 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 8.509 20.439 -12.391) 25.371 2.169 ( 19.452 9.226 9.846) 23.674 2.255 ( 12.395 16.994 -14.980) 25.823 2.313 ( 16.318 15.332 17.729) 28.560 3.019 ( -2.918 3.344 -11.564) 12.386 3.137 ( 6.954 -1.213 8.438) 11.001 3.248 ( 4.544 15.365 5.590) 16.970 3.363 ( 7.667 4.804 0.222) 9.051 3.570 ( 14.467 16.770 -4.192) 22.541 3.591 ( 12.284 12.193 0.346) 17.311 5.563 ( -2.360 -0.094 2.907) 3.746 5.595 ( 1.208 -0.263 -3.775) 3.973 5.856 ( -2.319 -3.398 -5.271) 6.686 5.860 ( -1.878 -3.312 3.494) 5.168 6.279 ( -5.866 -6.710 4.936) 10.188 6.336 ( -2.444 -9.737 -3.387) 10.595 6.600 ( -8.804 -0.630 -2.288) 9.118 6.743 ( 3.585 -6.027 2.649) 7.496 6.882 ( -7.594 0.879 7.282) 10.558 6.987 ( 3.568 2.091 -8.072) 9.070 7.501 ( -3.074 -1.757 -7.197) 8.021 7.559 ( -2.725 -9.569 8.999) 13.416 7.629 ( -11.958 -6.559 -1.292) 13.700 7.757 ( -5.497 -8.201 5.424) 11.265 7.850 ( 2.459 -0.262 2.194) 3.306 7.928 ( 2.886 -3.258 -5.038) 6.658 8.538 ( -10.080 -0.718 -1.206) 10.177 8.596 ( -5.425 -3.924 5.638) 8.753 8.609 ( -5.332 -4.419 -0.950) 6.990 8.658 ( -0.769 -1.386 -1.686) 2.314 8.787 ( -3.973 -2.214 2.009) 4.972 8.834 ( 0.242 -4.800 -5.311) 7.163 9.087 ( -1.489 -5.552 -5.421) 7.901 9.130 ( 1.752 -5.973 6.183) 8.773 9.369 ( -8.594 3.253 0.677) 9.214 9.505 ( 3.776 -1.280 -5.121) 6.490 9.636 ( -0.285 -3.109 3.925) 5.015 9.720 ( 4.024 -12.104 -2.890) 13.079 10.011 ( -11.390 7.559 2.638) 13.923 10.161 ( -7.065 5.608 -9.040) 12.771 10.301 ( -4.530 -1.843 8.494) 9.801 10.380 ( -2.418 -1.320 3.780) 4.677 10.465 ( 0.044 -6.927 -8.241) 10.766 10.592 ( 8.546 -2.794 1.991) 9.209 10.785 ( 0.124 0.740 1.673) 1.834 10.818 ( 4.011 0.101 2.898) 4.949 10.908 ( -7.656 6.955 -0.750) 10.371 11.108 ( 0.292 -1.353 -7.441) 7.568 11.146 ( 2.497 -2.264 5.218) 6.211 11.253 ( 6.495 -5.832 2.116) 8.982 11.602 ( -4.661 1.361 -0.137) 4.858 11.697 ( 3.037 -1.200 1.156) 3.464 11.795 ( -7.165 3.027 0.255) 7.782 11.812 ( -3.961 7.581 1.492) 8.682 11.929 ( 3.543 -1.750 -2.082) 4.466 12.007 ( 10.571 3.041 0.548) 11.014 12.232 ( 0.915 -2.850 0.906) 3.127 12.271 ( 5.529 0.563 -5.077) 7.527 12.441 ( -4.344 8.701 -0.988) 9.775 12.541 ( 2.880 7.980 2.319) 8.795 13.065 ( -3.407 -4.153 -2.424) 5.893 13.121 ( 1.494 -6.709 2.392) 7.278 13.232 ( -5.794 6.233 2.916) 8.996 13.410 ( 7.534 -1.420 -4.821) 9.056 13.489 ( -1.409 9.609 -0.339) 9.718 13.648 ( 7.654 -1.145 2.724) 8.204 14.359 ( 3.305 2.545 0.531) 4.205 14.374 ( 4.272 2.603 -0.491) 5.027 15.879 ( -7.468 -3.514 3.356) 8.910 15.999 ( 2.893 -2.559 -4.831) 6.185 16.449 ( -17.054 -19.396 4.647) 26.242 16.537 ( -8.334 -16.509 -2.909) 18.721 17.013 ( -2.819 3.112 -1.568) 4.482 17.082 ( 1.962 2.643 1.699) 3.704 17.435 ( -7.040 -1.359 -5.972) 9.331 17.513 ( -0.139 -0.982 5.451) 5.540 18.337 ( -7.419 -8.139 4.075) 11.743 18.345 ( -6.705 -8.355 -3.790) 11.363 18.916 ( 8.119 3.820 1.065) 9.036 18.937 ( 9.176 2.459 -1.201) 9.575 20.028 ( -1.113 -1.346 0.796) 1.919 20.074 ( 1.812 -2.703 -0.892) 3.374 20.567 ( 4.555 17.737 1.323) 18.360 20.635 ( 9.672 13.940 -1.188) 17.008 22.323 ( 11.298 12.871 -13.881) 22.046 22.337 ( 12.361 12.311 13.646) 22.149 23.488 ( -8.130 -8.411 6.027) 13.159 23.505 ( -6.683 -8.973 -5.964) 12.678 23.904 ( -2.445 -2.483 2.598) 4.347 23.910 ( -1.970 -2.751 -2.461) 4.184 ======================= Grid point 294 (51/58) ======================= q-point: ( 0.27 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 13.070 13.460 -7.645) 20.260 2.540 ( 14.027 8.723 -0.714) 16.533 2.658 ( 13.561 13.842 4.020) 19.790 2.756 ( 15.394 14.094 6.960) 22.002 3.027 ( -0.201 3.701 -7.665) 8.514 3.232 ( 5.373 -2.563 2.926) 6.634 3.377 ( -0.031 5.872 1.100) 5.974 3.457 ( 1.174 3.981 0.683) 4.207 3.912 ( 9.643 6.729 -3.149) 12.173 3.919 ( 8.941 6.307 2.750) 11.282 5.513 ( -4.347 -0.102 6.535) 7.850 5.659 ( 4.408 1.032 -5.955) 7.481 5.762 ( -3.788 -4.386 -9.208) 10.880 5.798 ( -0.130 -4.335 3.044) 5.299 6.078 ( -6.495 -12.297 -0.044) 13.907 6.184 ( -3.975 -8.378 3.022) 9.753 6.365 ( -10.997 -7.022 0.041) 13.047 6.656 ( -1.387 -13.062 3.003) 13.475 6.739 ( -10.734 4.504 3.681) 12.209 7.103 ( 5.283 -0.479 -10.661) 11.908 7.218 ( -15.178 -10.250 3.613) 18.667 7.362 ( -1.930 -5.839 2.478) 6.630 7.559 ( 0.894 4.504 -5.143) 6.895 7.668 ( -1.335 -1.845 10.834) 11.071 7.893 ( 3.279 0.265 -5.468) 6.381 8.099 ( 12.140 1.007 2.780) 12.495 8.379 ( -6.787 -0.036 -3.477) 7.626 8.453 ( -5.795 1.293 0.952) 6.014 8.552 ( -1.662 1.143 4.088) 4.558 8.580 ( -11.172 -5.004 1.222) 12.302 8.693 ( 0.164 3.472 0.513) 3.514 8.808 ( -0.970 0.814 -8.195) 8.293 9.025 ( 1.695 -6.802 0.891) 7.066 9.094 ( 2.580 -9.434 6.307) 11.637 9.265 ( -5.186 1.666 -4.679) 7.181 9.539 ( 1.188 -1.231 -3.064) 3.509 9.576 ( -2.780 -12.694 2.040) 13.154 9.690 ( 4.377 0.331 -0.499) 4.418 9.932 ( -7.593 7.998 -1.775) 11.171 10.040 ( -12.651 8.839 -1.395) 15.496 10.167 ( -5.832 -4.253 4.189) 8.346 10.295 ( -4.009 -5.890 -4.102) 8.221 10.498 ( 6.753 -2.352 -1.186) 7.248 10.634 ( 1.257 1.581 4.105) 4.575 10.814 ( -1.813 1.818 -0.939) 2.734 10.921 ( 7.805 -2.026 3.871) 8.944 10.944 ( -0.309 7.237 -2.299) 7.600 11.136 ( 2.922 5.098 -1.367) 6.033 11.166 ( 1.902 -1.936 1.957) 3.346 11.304 ( 2.018 0.464 1.748) 2.710 11.527 ( -3.189 -0.889 -1.857) 3.796 11.673 ( -0.561 -3.856 1.769) 4.280 11.735 ( -0.667 -0.377 1.927) 2.074 11.784 ( -6.886 4.210 0.160) 8.073 11.964 ( 2.964 -2.273 0.195) 3.741 12.152 ( 4.292 -3.204 1.800) 5.650 12.244 ( 2.514 2.126 -3.502) 4.807 12.413 ( 6.597 2.263 -7.558) 10.284 12.471 ( -2.766 9.361 2.858) 10.171 12.653 ( -1.970 11.848 0.715) 12.032 12.978 ( -1.558 -3.181 1.334) 3.785 13.087 ( -2.908 1.208 -1.175) 3.361 13.216 ( 2.127 0.326 -0.214) 2.163 13.342 ( -3.463 -3.166 2.675) 5.401 13.730 ( 9.536 4.258 -5.571) 11.837 13.762 ( 5.276 0.147 4.521) 6.950 14.457 ( 4.986 2.040 0.018) 5.387 14.487 ( 5.310 2.864 0.370) 6.044 15.632 ( -8.936 -10.148 -1.197) 13.575 15.875 ( -15.334 -6.419 1.148) 16.663 16.015 ( -3.400 -19.190 0.978) 19.513 16.251 ( -7.105 -16.105 -1.110) 17.638 17.031 ( -0.626 5.968 -0.905) 6.068 17.161 ( -1.663 9.077 0.595) 9.247 17.345 ( -0.541 -0.486 -0.349) 0.807 17.521 ( 0.788 0.013 -0.061) 0.791 18.145 ( -6.646 -5.081 5.277) 9.891 18.164 ( -5.854 -5.515 -4.309) 9.124 19.134 ( 12.231 2.532 0.093) 12.490 19.156 ( 12.663 2.299 -0.493) 12.879 19.976 ( -2.126 -3.801 1.317) 4.551 20.045 ( -1.186 -4.394 -1.487) 4.788 20.837 ( 4.270 19.284 2.320) 19.887 20.936 ( 6.749 15.845 -2.001) 17.338 22.565 ( 6.926 4.831 -9.655) 12.827 22.590 ( 7.482 4.639 9.235) 12.759 23.243 ( -9.263 -8.657 3.549) 13.166 23.275 ( -8.397 -9.481 -3.223) 13.068 23.850 ( -1.405 -1.385 1.040) 2.230 23.858 ( -1.293 -1.708 -0.989) 2.359 ======================= Grid point 296 (52/58) ======================= q-point: ( 0.36 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.699 ( 13.803 8.370 -3.934) 16.615 2.841 ( 10.923 6.222 -0.694) 12.590 2.957 ( 5.796 7.961 6.039) 11.551 3.060 ( 3.948 3.597 -3.757) 6.530 3.120 ( 7.239 7.647 2.181) 10.754 3.258 ( 1.401 -3.232 -1.974) 4.038 3.395 ( -2.842 4.335 -0.150) 5.186 3.495 ( -1.853 3.576 1.516) 4.304 4.030 ( 2.951 0.150 7.802) 8.343 4.063 ( 3.555 -0.202 -7.755) 8.534 5.425 ( -3.556 0.254 5.295) 6.384 5.624 ( -6.099 -4.752 -8.583) 11.552 5.723 ( 1.782 -7.599 -1.286) 7.910 5.759 ( 2.309 -1.446 0.935) 2.880 5.821 ( -4.407 -14.881 1.046) 15.555 5.996 ( -9.015 -3.814 -1.994) 9.990 6.237 ( 4.488 -5.436 6.824) 9.811 6.482 ( -2.508 -12.936 -0.549) 13.188 6.631 ( -4.503 2.596 -3.878) 6.485 6.850 ( -9.530 -10.957 4.852) 15.311 7.212 ( 3.048 2.476 -4.641) 6.079 7.352 ( -1.902 2.719 3.138) 4.567 7.617 ( 2.628 1.980 -7.779) 8.446 7.683 ( 2.068 1.084 9.933) 10.204 7.950 ( 3.187 0.288 -4.273) 5.338 8.247 ( -11.512 -4.064 -2.351) 12.433 8.302 ( 4.498 5.287 2.814) 7.490 8.335 ( -5.145 4.647 2.420) 7.343 8.466 ( 4.316 2.930 1.050) 5.321 8.621 ( 3.696 1.394 -3.025) 4.975 8.746 ( 2.181 3.324 2.329) 4.607 8.813 ( -2.800 7.126 -3.768) 8.533 8.973 ( -0.600 -6.877 3.923) 7.940 9.018 ( -0.235 -8.837 3.749) 9.603 9.227 ( 0.204 -1.405 -10.731) 10.825 9.369 ( -7.384 -5.185 5.451) 10.541 9.596 ( 5.153 -1.599 1.814) 5.692 9.729 ( 2.837 -5.129 -1.009) 5.947 9.893 ( -6.946 7.367 -1.435) 10.227 9.952 ( -6.824 9.992 -0.606) 12.115 10.002 ( -6.451 -4.781 -1.824) 8.234 10.156 ( -4.496 -6.218 0.082) 7.674 10.592 ( 1.965 4.078 -1.448) 4.753 10.716 ( -1.478 3.624 2.175) 4.478 10.772 ( 1.588 3.254 2.508) 4.404 10.973 ( 1.759 -2.178 -1.600) 3.225 11.041 ( 3.433 5.380 -2.040) 6.700 11.172 ( 0.173 -0.638 1.791) 1.909 11.247 ( 2.345 2.230 0.914) 3.362 11.314 ( -3.112 1.904 2.074) 4.197 11.491 ( 0.629 -1.548 -3.489) 3.868 11.655 ( -5.723 -3.711 1.811) 7.057 11.690 ( 3.360 2.290 -1.489) 4.330 11.753 ( 2.024 0.554 2.219) 3.054 11.979 ( 1.863 -2.853 4.037) 5.283 12.121 ( -2.222 -4.031 -1.598) 4.872 12.335 ( 2.229 4.527 -4.017) 6.450 12.448 ( -3.749 3.540 1.971) 5.520 12.588 ( 5.058 5.760 -2.870) 8.185 12.720 ( -3.460 10.226 -1.086) 10.850 12.939 ( -0.615 -1.208 1.379) 1.933 13.019 ( -6.656 2.737 0.674) 7.228 13.289 ( 2.611 -1.741 3.684) 4.839 13.304 ( 4.461 -1.410 -4.162) 6.262 13.809 ( 3.233 -1.909 4.131) 5.582 13.873 ( 3.339 -1.080 -3.405) 4.889 14.567 ( 4.813 2.161 0.206) 5.280 14.607 ( 3.682 3.563 0.244) 5.129 15.429 ( -1.886 -10.135 -1.521) 10.421 15.532 ( -10.428 -7.899 1.935) 13.224 15.842 ( 1.221 -14.719 -1.313) 14.827 15.967 ( -5.836 -14.912 0.419) 16.019 17.094 ( -0.068 6.566 0.088) 6.567 17.173 ( -4.784 6.608 -1.391) 8.276 17.412 ( 4.344 2.872 4.037) 6.589 17.528 ( -0.208 -0.170 -3.139) 3.150 18.008 ( -4.428 -1.998 4.179) 6.408 18.029 ( -4.430 -2.980 -3.427) 6.344 19.374 ( 12.458 0.770 -1.602) 12.584 19.406 ( 12.770 0.839 1.330) 12.866 19.876 ( -3.633 -5.083 1.666) 6.466 19.942 ( -4.347 -5.892 -1.848) 7.552 21.086 ( 1.321 18.623 2.855) 18.886 21.165 ( 0.137 15.527 -2.539) 15.733 22.693 ( 5.584 0.033 -6.884) 8.864 22.721 ( 5.133 0.218 6.477) 8.268 23.014 ( -7.117 -6.488 0.027) 9.631 23.039 ( -7.589 -7.917 0.351) 10.973 23.824 ( -0.394 -0.720 -0.596) 1.014 23.829 ( -0.523 -0.964 0.563) 1.232 ======================= Grid point 298 (53/58) ======================= q-point: ( 0.45 0.09 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -3.861 -2.855 -2.815) 5.566 2.953 ( 4.402 1.916 2.815) 5.566 3.056 ( -4.489 -2.755 -4.405) 6.867 3.056 ( 4.631 2.510 4.405) 6.867 3.235 ( -3.094 -1.185 -0.114) 3.315 3.235 ( 2.573 2.087 0.114) 3.315 3.447 ( -3.643 4.584 -2.881) 6.526 3.447 ( -2.149 5.447 2.881) 6.526 4.070 ( -0.200 -2.483 -8.188) 8.559 4.070 ( 2.250 -1.069 8.188) 8.559 5.457 ( -6.682 -1.120 -3.472) 7.613 5.457 ( 4.311 5.227 3.472) 7.613 5.688 ( 7.788 -10.379 -2.385) 13.193 5.688 ( 5.095 -11.934 2.385) 13.193 5.840 ( -4.873 -2.838 -1.869) 5.940 5.840 ( 4.894 2.801 1.869) 5.940 6.327 ( -1.392 -10.105 -4.625) 11.200 6.327 ( 9.447 -3.848 4.625) 11.200 6.656 ( 4.564 1.788 -6.606) 8.226 6.656 ( -3.831 -3.059 6.606) 8.226 7.297 ( 1.162 2.601 -3.829) 4.773 7.297 ( -2.834 0.294 3.829) 4.773 7.688 ( 2.103 0.908 -9.918) 10.179 7.688 ( -1.838 -1.368 9.918) 10.179 8.041 ( -1.309 -0.500 -5.896) 6.060 8.041 ( 1.088 0.884 5.896) 6.060 8.340 ( -4.769 8.979 -6.630) 12.137 8.340 ( -5.391 8.620 6.630) 12.137 8.616 ( -3.167 -5.423 -7.848) 10.051 8.616 ( 6.280 0.031 7.848) 10.051 8.832 ( -2.098 -2.600 0.149) 3.344 8.832 ( 3.301 0.517 -0.149) 3.344 8.920 ( -2.419 -0.750 -2.255) 3.391 8.920 ( 1.859 1.720 2.255) 3.391 9.243 ( 2.555 1.017 -12.675) 12.970 9.243 ( -2.158 -1.704 12.675) 12.970 9.687 ( -1.324 -5.850 -1.839) 6.274 9.687 ( 5.728 -1.778 1.839) 6.274 9.870 ( -2.959 1.239 -2.010) 3.786 9.870 ( 0.407 3.182 2.010) 3.786 10.023 ( -5.862 1.065 0.440) 5.974 10.023 ( 2.009 5.609 -0.440) 5.974 10.654 ( -3.806 5.646 -2.394) 7.217 10.654 ( -2.986 6.119 2.394) 7.217 10.919 ( -4.544 -3.449 -4.305) 7.147 10.919 ( 5.259 2.211 4.305) 7.147 11.149 ( 1.067 -0.578 -2.621) 2.888 11.149 ( -0.033 -1.213 2.621) 2.888 11.265 ( -0.728 3.641 -3.821) 5.328 11.265 ( -2.789 2.451 3.821) 5.328 11.529 ( 2.165 -0.508 -2.360) 3.243 11.529 ( -0.643 -2.129 2.360) 3.243 11.776 ( -0.144 -1.911 -5.612) 5.930 11.776 ( 1.727 -0.831 5.612) 5.930 12.019 ( -2.164 -3.347 -10.253) 11.000 12.019 ( 3.980 0.201 10.253) 11.000 12.403 ( -1.497 4.457 -5.210) 7.018 12.403 ( -3.111 3.525 5.210) 7.018 12.710 ( -3.692 4.635 -5.827) 8.311 12.710 ( -2.168 5.515 5.827) 8.311 12.943 ( -1.984 1.674 -3.991) 4.761 12.943 ( -0.457 2.555 3.991) 4.761 13.328 ( 0.165 -3.315 -5.386) 6.327 13.328 ( 2.788 -1.801 5.386) 6.327 13.857 ( -0.485 -4.227 -3.600) 5.574 13.857 ( 3.904 -1.694 3.600) 5.574 14.647 ( -1.422 1.015 -1.674) 2.419 14.647 ( -0.168 1.739 1.674) 2.419 15.379 ( 2.811 -7.090 -7.172) 10.469 15.379 ( 4.735 -5.980 7.172) 10.469 15.799 ( 3.931 -10.132 -0.599) 10.885 15.799 ( 6.809 -8.471 0.599) 10.885 17.147 ( -4.663 4.491 -1.099) 6.567 17.147 ( -1.558 6.284 1.099) 6.567 17.499 ( -2.822 -0.803 -4.351) 5.248 17.499 ( 2.106 2.042 4.351) 5.248 17.963 ( -0.764 0.201 -3.724) 3.806 17.963 ( 0.208 0.762 3.724) 3.806 19.537 ( 4.082 -5.707 -4.361) 8.262 19.537 ( 2.902 -6.389 4.361) 8.262 19.815 ( -1.280 -2.832 -2.185) 3.799 19.815 ( 3.092 -0.308 2.185) 3.799 21.225 ( -9.724 12.206 -2.847) 15.864 21.225 ( -5.709 14.525 2.847) 15.864 22.770 ( 4.077 -4.895 -5.789) 8.608 22.770 ( 2.201 -5.978 5.789) 8.608 22.902 ( 0.237 0.337 -4.453) 4.472 22.902 ( -0.410 -0.037 4.453) 4.472 23.819 ( 0.288 -0.376 -2.236) 2.286 23.819 ( 0.182 -0.437 2.236) 2.286 ======================= Grid point 316 (54/58) ======================= q-point: ( 0.18 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 3.718 16.779 -15.937) 23.438 2.369 ( 12.672 11.610 15.937) 23.438 2.654 ( 8.887 20.139 -9.395) 23.934 2.654 ( 12.997 17.766 9.395) 23.934 3.108 ( -3.763 4.673 -6.148) 8.590 3.108 ( 5.928 -0.923 6.148) 8.590 3.443 ( 4.717 3.223 -0.566) 5.741 3.443 ( 0.432 5.697 0.566) 5.741 3.858 ( 5.775 10.753 -4.003) 12.845 3.858 ( 6.424 10.378 4.003) 12.845 5.589 ( 3.157 -1.583 -6.851) 7.707 5.589 ( -2.949 1.942 6.851) 7.707 5.771 ( -3.252 -4.583 -5.794) 8.072 5.771 ( -2.343 -5.108 5.794) 8.072 6.117 ( -6.572 -9.059 -5.718) 12.568 6.117 ( -4.559 -10.221 5.718) 12.568 6.519 ( -11.669 -7.654 -2.666) 14.208 6.519 ( -0.794 -13.933 2.666) 14.208 6.952 ( 5.699 -8.226 -7.487) 12.498 6.952 ( -9.973 0.822 7.487) 12.498 7.336 ( -3.461 -8.408 -3.303) 9.674 7.336 ( -5.551 -7.201 3.303) 9.674 7.606 ( -2.555 1.540 -9.408) 9.870 7.606 ( 2.612 -1.443 9.408) 9.870 7.938 ( 3.225 3.652 -3.962) 6.280 7.938 ( 1.550 4.619 3.962) 6.280 8.473 ( -2.550 -3.236 -6.049) 7.319 8.473 ( -1.528 -3.827 6.049) 7.319 8.628 ( 0.551 -1.890 -3.330) 3.868 8.628 ( -1.912 -0.468 3.330) 3.868 8.772 ( 3.777 -2.350 -3.467) 5.640 8.772 ( -3.923 2.096 3.467) 5.640 8.989 ( -3.691 -4.091 -2.161) 5.918 8.989 ( -1.697 -5.242 2.161) 5.918 9.411 ( -7.515 -2.665 -2.237) 8.282 9.411 ( 1.449 -7.841 2.237) 8.282 9.578 ( -3.499 0.271 -9.784) 10.395 9.578 ( 1.985 -2.895 9.784) 10.395 10.138 ( 3.074 -2.239 -5.952) 7.063 10.138 ( -3.476 1.543 5.952) 7.063 10.320 ( 0.049 -3.083 -6.032) 6.774 10.320 ( -2.695 -1.499 6.032) 6.774 10.471 ( 11.556 -5.845 -1.213) 13.007 10.471 ( -10.840 7.085 1.213) 13.007 10.817 ( 2.929 0.187 -6.748) 7.359 10.817 ( -1.303 2.630 6.748) 7.359 11.061 ( -1.841 4.419 -4.135) 6.325 11.061 ( 4.747 0.615 4.135) 6.325 11.221 ( 4.003 4.102 -5.858) 8.195 11.221 ( 1.551 5.517 5.858) 8.195 11.603 ( -4.694 -1.689 -3.640) 6.175 11.603 ( 0.884 -4.909 3.640) 6.175 11.824 ( 4.220 -6.689 -1.878) 8.128 11.824 ( -7.903 0.310 1.878) 8.128 12.000 ( -1.900 4.243 -1.846) 5.002 12.000 ( 4.625 0.476 1.846) 5.002 12.292 ( 7.515 1.909 -3.534) 8.521 12.292 ( -2.104 7.463 3.534) 8.521 12.663 ( 6.965 4.760 -4.046) 9.356 12.663 ( 0.640 8.412 4.046) 9.356 13.017 ( 3.289 -2.952 -5.368) 6.953 13.017 ( -4.201 1.372 5.368) 6.953 13.320 ( 1.471 -4.625 -1.438) 5.062 13.320 ( -4.741 -1.039 1.438) 5.062 13.671 ( 1.298 6.430 -5.685) 8.680 13.671 ( 4.920 4.339 5.685) 8.680 14.432 ( 2.378 4.054 -1.177) 4.845 14.432 ( 2.321 4.086 1.177) 4.845 15.765 ( 1.315 -17.131 -2.541) 17.369 15.765 ( -15.494 -7.427 2.541) 17.369 16.138 ( -4.876 -20.395 -7.860) 22.395 16.138 ( -15.225 -14.420 7.860) 22.395 17.138 ( -1.475 8.330 -3.864) 9.301 17.138 ( 7.951 2.888 3.864) 9.301 17.451 ( -6.364 1.803 -2.573) 7.098 17.451 ( 4.744 -4.610 2.573) 7.098 18.185 ( -3.549 -7.002 -5.002) 9.309 18.185 ( -4.290 -6.575 5.002) 9.309 19.029 ( 4.323 7.274 -2.686) 8.878 19.029 ( 4.138 7.381 2.686) 8.878 20.001 ( -0.605 -3.934 -2.203) 4.549 20.001 ( -3.104 -2.490 2.203) 4.549 20.944 ( 12.267 15.881 -2.018) 20.168 20.944 ( 7.620 18.564 2.018) 20.168 22.533 ( 3.601 7.594 -11.452) 14.205 22.533 ( 4.776 6.916 11.452) 14.205 23.291 ( -5.718 -11.652 -4.283) 13.668 23.291 ( -7.232 -10.778 4.283) 13.668 23.858 ( -1.054 -2.127 -1.913) 3.049 23.858 ( -1.315 -1.977 1.913) 3.049 ======================= Grid point 318 (55/58) ======================= q-point: ( 0.27 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.613 ( 7.334 12.818 -8.491) 17.035 2.694 ( 12.429 7.715 8.697) 17.019 2.969 ( 5.747 13.745 2.035) 15.037 3.020 ( 9.291 10.778 -1.724) 14.334 3.109 ( -0.058 3.900 -2.412) 4.586 3.182 ( 3.711 -2.197 0.738) 4.375 3.491 ( -1.455 5.907 0.413) 6.098 3.537 ( 2.211 3.996 0.399) 4.584 3.983 ( 2.280 1.086 4.427) 5.096 3.996 ( 3.560 0.961 -4.364) 5.713 5.499 ( -5.367 -2.606 5.217) 7.926 5.571 ( -0.225 -9.356 -6.112) 11.178 5.653 ( -4.272 -7.302 -0.627) 8.483 5.707 ( 1.605 -4.359 0.921) 4.736 5.881 ( -10.721 -3.612 -4.499) 12.176 6.038 ( 3.903 -5.755 5.607) 8.932 6.198 ( -12.614 -8.304 0.332) 15.106 6.361 ( -0.152 -15.276 -0.046) 15.277 6.702 ( -8.787 -9.572 -0.810) 13.019 6.789 ( -4.123 -18.182 -0.582) 18.653 7.265 ( -2.800 6.891 -0.257) 7.443 7.380 ( 4.923 2.041 0.812) 5.391 7.625 ( -0.708 1.540 -4.441) 4.754 7.651 ( 2.398 1.907 6.558) 7.239 7.968 ( -1.941 7.725 -3.335) 8.636 8.137 ( 13.190 3.361 1.920) 13.746 8.399 ( -6.858 0.815 -1.065) 6.988 8.490 ( -3.507 1.741 5.825) 7.019 8.512 ( -0.693 1.849 -4.783) 5.175 8.601 ( -0.165 0.330 -0.293) 0.471 8.775 ( -1.034 5.129 1.296) 5.390 8.859 ( 4.245 1.859 -2.583) 5.305 8.895 ( -1.937 -4.743 1.764) 5.419 8.948 ( 0.933 -3.682 -0.008) 3.798 9.274 ( -4.877 0.014 -5.490) 7.343 9.356 ( 0.524 -6.458 5.544) 8.528 9.491 ( -1.281 -4.861 -5.157) 7.202 9.583 ( 3.613 -9.752 5.268) 11.658 10.046 ( -5.962 -3.601 2.219) 7.310 10.069 ( -5.265 -5.654 -2.703) 8.186 10.253 ( -7.398 8.456 0.540) 11.248 10.287 ( -12.270 13.385 -2.343) 18.308 10.498 ( 10.728 2.208 -2.835) 11.313 10.637 ( 9.823 -1.990 3.877) 10.747 10.827 ( 0.144 0.829 2.629) 2.760 10.880 ( 3.899 -1.400 -2.502) 4.840 11.066 ( -1.399 4.582 -2.523) 5.414 11.141 ( 2.867 -0.766 1.042) 3.145 11.295 ( -0.572 9.116 2.650) 9.511 11.364 ( 2.397 3.769 1.058) 4.591 11.514 ( -3.090 -0.136 -5.830) 6.600 11.574 ( 1.924 -4.706 4.180) 6.582 11.724 ( -2.431 -0.683 1.734) 3.063 11.805 ( -0.217 -3.552 0.081) 3.560 11.924 ( -5.095 0.757 -2.286) 5.636 12.080 ( 3.463 -5.076 2.073) 6.485 12.370 ( 1.143 9.445 0.041) 9.514 12.467 ( 7.208 3.949 -4.195) 9.228 12.661 ( -5.609 8.435 2.600) 10.458 12.825 ( 5.600 1.358 -4.716) 7.446 12.976 ( -5.455 6.724 6.464) 10.805 13.121 ( 3.604 0.909 -2.197) 4.317 13.215 ( -2.381 -1.203 -2.301) 3.523 13.262 ( -0.658 -3.543 1.936) 4.090 13.737 ( 1.519 -0.746 2.934) 3.387 13.781 ( 5.072 -0.895 -2.627) 5.782 14.521 ( 3.470 4.881 -0.142) 5.990 14.555 ( 6.007 4.093 0.256) 7.273 15.427 ( -11.166 -9.912 0.033) 14.931 15.608 ( 1.745 -19.438 -2.385) 19.661 15.691 ( -16.377 -11.141 2.954) 20.026 15.870 ( -3.410 -20.596 -0.639) 20.886 17.197 ( -1.867 9.201 -3.024) 9.863 17.306 ( 3.650 4.512 3.599) 6.828 17.369 ( -2.639 2.597 0.476) 3.733 17.485 ( 3.373 -3.050 -1.274) 4.722 18.063 ( -3.967 -3.129 2.787) 5.770 18.069 ( -3.565 -3.747 -2.507) 5.748 19.208 ( 8.382 5.423 -1.603) 10.111 19.220 ( 9.426 4.787 1.449) 10.670 19.895 ( -4.277 -4.717 1.762) 6.607 19.927 ( -2.109 -6.877 -1.834) 7.423 21.260 ( 4.596 21.374 2.883) 22.052 21.298 ( 7.049 18.913 -2.730) 20.367 22.616 ( 1.901 -0.457 -6.849) 7.123 22.635 ( 3.319 -0.982 6.672) 7.517 23.059 ( -6.682 -8.725 1.444) 11.084 23.070 ( -6.173 -9.774 -1.299) 11.633 23.825 ( -0.701 -1.069 -0.478) 1.365 23.827 ( -0.574 -1.285 0.463) 1.482 ======================= Grid point 320 (56/58) ======================= q-point: ( 0.36 0.18 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 8.158 7.968 -3.752) 12.005 2.951 ( 8.113 5.009 2.860) 9.954 3.038 ( -3.595 0.544 3.151) 4.811 3.111 ( -3.010 0.293 -1.235) 3.267 3.209 ( 2.805 0.723 0.771) 2.997 3.229 ( 2.893 -0.060 -2.781) 4.013 3.541 ( -1.221 9.641 -0.256) 9.721 3.590 ( -3.111 6.079 0.896) 6.887 4.006 ( 2.378 -2.527 4.981) 6.070 4.025 ( 1.577 -3.438 -4.757) 6.077 5.421 ( 2.790 -6.216 -1.696) 7.021 5.467 ( 2.604 -13.059 -2.325) 13.517 5.526 ( -2.430 -0.378 7.336) 7.737 5.607 ( -8.412 -2.463 -3.045) 9.279 5.794 ( 2.484 2.210 -1.321) 3.577 5.928 ( -8.756 -4.009 -1.003) 9.682 6.117 ( 8.640 -5.991 5.249) 11.752 6.221 ( 0.336 -12.295 -2.678) 12.588 6.536 ( 1.891 -9.611 -4.661) 10.848 6.577 ( 0.022 -13.783 4.103) 14.380 7.327 ( 0.647 7.674 -2.557) 8.114 7.410 ( -3.950 1.730 3.867) 5.792 7.640 ( 2.603 -0.945 -4.943) 5.667 7.675 ( 0.591 -2.709 4.855) 5.591 8.042 ( 0.477 9.724 -4.911) 10.904 8.189 ( -10.466 -0.338 4.587) 11.432 8.441 ( 10.472 6.928 2.243) 12.756 8.526 ( -1.015 10.517 -2.347) 10.823 8.572 ( -3.256 5.832 0.427) 6.693 8.599 ( -1.454 0.677 -2.595) 3.050 8.784 ( 0.038 0.176 -0.196) 0.266 8.868 ( 4.146 -1.453 8.524) 9.590 8.874 ( -3.013 -5.609 0.727) 6.408 8.926 ( -2.082 0.955 -7.774) 8.104 9.245 ( -0.339 4.899 -8.956) 10.214 9.303 ( -2.510 -1.314 10.671) 11.040 9.493 ( 7.607 -7.207 -4.532) 11.418 9.538 ( 4.758 -11.670 3.880) 13.186 9.876 ( -3.432 -7.222 -0.490) 8.011 9.896 ( -4.645 -7.339 -0.425) 8.696 10.237 ( -8.649 16.124 5.870) 19.216 10.254 ( -9.139 14.126 -6.219) 17.937 10.697 ( 5.272 5.521 -5.099) 9.180 10.796 ( -0.434 2.923 6.298) 6.957 10.808 ( 4.823 0.496 2.480) 5.446 10.917 ( 1.935 -3.653 -3.277) 5.275 11.096 ( 1.573 -0.738 -1.692) 2.425 11.129 ( -0.353 -4.015 -0.807) 4.110 11.346 ( -2.089 6.297 2.428) 7.065 11.385 ( -4.753 6.372 4.124) 8.955 11.479 ( 1.259 0.481 -6.688) 6.823 11.561 ( -2.796 -2.965 3.462) 5.347 11.725 ( 2.783 -0.512 3.236) 4.299 11.767 ( -2.374 0.595 -4.226) 4.883 11.907 ( 6.370 -3.006 0.777) 7.086 12.026 ( -2.205 -6.880 0.039) 7.225 12.484 ( -0.253 9.747 -0.887) 9.791 12.545 ( -4.895 6.652 0.457) 8.272 12.740 ( 4.899 8.267 -1.758) 9.769 12.886 ( -4.506 3.967 -4.746) 7.653 12.939 ( -0.900 1.187 6.334) 6.507 13.022 ( -5.858 -3.155 0.952) 6.721 13.266 ( 3.315 1.127 0.881) 3.610 13.296 ( 1.376 1.750 -2.778) 3.560 13.746 ( 4.038 -4.314 3.904) 7.082 13.796 ( 1.215 -6.422 -3.031) 7.204 14.648 ( 3.654 6.146 -0.392) 7.161 14.691 ( 1.685 4.870 0.084) 5.154 15.211 ( 0.565 -10.116 3.219) 10.630 15.315 ( -7.405 -13.841 -2.755) 15.937 15.544 ( 7.138 -12.307 -2.725) 14.486 15.637 ( -0.264 -16.959 2.529) 17.149 17.251 ( -1.896 7.754 -1.068) 8.053 17.291 ( -5.162 5.081 -0.134) 7.245 17.458 ( 4.352 0.927 4.252) 6.155 17.501 ( 1.064 -2.264 -3.065) 3.956 17.988 ( -2.180 -0.283 1.734) 2.800 17.991 ( -2.223 -0.736 -1.682) 2.883 19.400 ( 7.222 2.561 -2.601) 8.092 19.416 ( 6.991 1.506 2.556) 7.595 19.774 ( -1.947 -5.435 1.896) 6.077 19.801 ( -2.728 -7.501 -1.977) 8.223 21.505 ( -3.050 21.410 3.323) 21.879 21.531 ( -4.357 19.454 -3.209) 20.193 22.607 ( 4.189 -9.078 -5.154) 11.248 22.629 ( 3.186 -10.161 5.104) 11.809 22.920 ( -2.429 -2.251 -5.339) 6.282 22.922 ( -2.543 -2.585 5.356) 6.468 23.811 ( 0.001 -0.587 -1.195) 1.331 23.812 ( -0.054 -0.703 1.179) 1.374 ======================= Grid point 340 (57/58) ======================= q-point: ( 0.27 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.863 ( 3.693 11.252 -6.374) 13.449 2.863 ( 7.898 8.824 6.374) 13.449 3.130 ( 3.303 -2.483 -1.080) 4.271 3.130 ( -3.802 1.619 1.080) 4.271 3.171 ( 2.018 2.025 -3.713) 4.686 3.171 ( 0.744 2.760 3.713) 4.686 3.636 ( 3.566 7.265 -2.322) 8.419 3.636 ( 4.508 6.720 2.322) 8.419 3.973 ( -0.955 -2.642 -4.850) 5.605 3.973 ( -1.811 -2.148 4.850) 5.605 5.361 ( -4.574 -8.823 -1.528) 10.055 5.361 ( -5.354 -8.373 1.528) 10.055 5.615 ( 3.930 -1.932 -3.436) 5.566 5.615 ( -3.638 2.437 3.436) 5.566 5.895 ( -8.195 -0.120 -5.921) 10.111 5.895 ( 3.994 -7.157 5.921) 10.111 6.074 ( 0.173 -10.092 -1.834) 10.258 6.074 ( -8.826 -4.896 1.834) 10.258 6.477 ( -7.206 -9.848 -3.855) 12.797 6.477 ( -4.925 -11.165 3.855) 12.797 7.406 ( 0.850 4.670 -6.622) 8.147 7.406 ( 3.619 3.071 6.622) 8.147 7.630 ( -1.854 -2.526 -6.501) 7.217 7.630 ( -1.261 -2.868 6.502) 7.217 8.193 ( 2.998 5.352 -7.244) 9.493 8.193 ( 3.136 5.272 7.244) 9.493 8.463 ( 7.943 -0.475 -7.858) 11.183 8.463 ( -4.383 6.641 7.858) 11.183 8.647 ( 1.702 8.057 -7.693) 11.269 8.647 ( 6.127 5.502 7.693) 11.269 8.812 ( -1.620 -3.424 -7.794) 8.666 8.812 ( -2.155 -3.115 7.794) 8.666 8.926 ( 0.444 3.035 -0.452) 3.101 8.926 ( 2.407 1.902 0.452) 3.101 9.301 ( -1.024 -2.804 -6.858) 7.480 9.301 ( -1.916 -2.289 6.858) 7.480 9.383 ( -2.220 -1.604 -7.509) 7.993 9.383 ( -0.279 -2.725 7.509) 7.993 9.884 ( -5.643 -11.304 -1.308) 12.702 9.884 ( -6.969 -10.539 1.308) 12.702 10.513 ( 7.717 6.811 -9.368) 13.918 10.513 ( 2.040 10.089 9.368) 13.918 10.604 ( -3.943 10.401 -5.269) 12.308 10.604 ( 10.979 1.786 5.269) 12.308 10.852 ( 1.256 -1.292 -2.988) 3.489 10.852 ( -1.747 0.441 2.988) 3.489 11.099 ( -2.608 -2.642 -0.681) 3.774 11.099 ( -0.984 -3.579 0.681) 3.774 11.433 ( 4.366 1.416 -5.233) 6.961 11.433 ( -0.957 4.489 5.233) 6.961 11.538 ( 3.840 1.106 -3.206) 5.123 11.538 ( -0.963 3.879 3.206) 5.123 11.728 ( 2.222 -1.740 -1.557) 3.224 11.728 ( -2.618 1.054 1.557) 3.224 11.925 ( -7.953 -3.113 -4.112) 9.479 11.925 ( 1.281 -8.444 4.112) 9.479 12.589 ( 8.290 7.508 -2.355) 11.430 12.589 ( 2.357 10.933 2.355) 11.430 12.802 ( 1.528 2.054 -3.645) 4.454 12.802 ( 1.015 2.351 3.645) 4.454 13.056 ( -3.386 -5.514 -2.357) 6.886 13.056 ( -3.082 -5.690 2.357) 6.886 13.268 ( 3.266 7.298 -1.374) 8.113 13.268 ( 4.687 6.477 1.374) 8.113 13.707 ( -0.907 -5.465 -5.510) 7.814 13.707 ( -4.279 -3.518 5.510) 7.814 14.666 ( 3.406 8.896 -0.954) 9.573 14.666 ( 6.001 7.398 0.954) 9.573 15.238 ( -2.236 -15.567 -2.928) 15.997 15.238 ( -12.364 -9.720 2.928) 15.997 15.475 ( -8.292 -11.901 -15.288) 21.074 15.475 ( -6.161 -13.131 15.288) 21.074 17.358 ( -1.387 5.403 -3.069) 6.366 17.358 ( 5.373 1.500 3.069) 6.366 17.428 ( 3.895 -1.752 -1.420) 4.501 17.428 ( -3.465 2.497 1.420) 4.501 18.010 ( -1.194 -2.104 -4.571) 5.172 18.010 ( -1.225 -2.086 4.571) 5.172 19.354 ( 4.432 8.350 -3.874) 10.216 19.354 ( 5.015 8.013 3.874) 10.216 19.773 ( -3.877 -7.879 -3.600) 9.491 19.773 ( -4.885 -7.298 3.600) 9.491 21.677 ( 11.444 17.619 -3.740) 21.340 21.677 ( 9.536 18.720 3.740) 21.340 22.517 ( -6.308 -9.258 -6.392) 12.897 22.517 ( -4.863 -10.091 6.392) 12.897 22.931 ( -2.002 -3.384 -6.670) 7.742 22.931 ( -1.929 -3.426 6.670) 7.742 23.808 ( -0.342 -0.573 -4.268) 4.320 23.808 ( -0.325 -0.583 4.268) 4.320 ======================= Grid point 342 (58/58) ======================= q-point: ( 0.36 0.27 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 3.67e-09 3.67e-09 3.67e-09 3.67e-09 Number of triplets: 127 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.017 ( -5.944 1.611 0.725) 6.201 3.017 ( 1.577 5.953 -0.725) 6.201 3.078 ( -4.908 -1.664 -3.240) 6.112 3.078 ( 3.895 3.419 3.240) 6.112 3.187 ( 1.523 -3.403 -3.863) 5.369 3.187 ( 2.186 -3.020 3.863) 5.369 3.737 ( -4.230 8.204 -1.009) 9.286 3.737 ( -4.990 7.765 1.009) 9.286 3.926 ( 2.769 -5.782 -3.015) 7.084 3.926 ( 3.623 -5.289 3.015) 7.084 5.265 ( 2.954 -5.132 -0.663) 5.958 5.265 ( 2.968 -5.124 0.663) 5.958 5.643 ( -5.937 4.900 -3.827) 8.597 5.643 ( -1.275 7.592 3.827) 8.597 5.814 ( -0.881 -6.084 1.200) 6.264 5.814 ( 5.709 -2.279 -1.200) 6.264 6.014 ( 1.064 -5.893 -3.463) 6.918 6.014 ( 4.571 -3.868 3.463) 6.918 6.365 ( 3.501 -5.236 -4.230) 7.587 6.365 ( 2.784 -5.650 4.230) 7.587 7.460 ( -2.162 4.407 -9.647) 10.824 7.460 ( -2.735 4.076 9.647) 10.824 7.581 ( 2.403 -4.632 -10.425) 11.658 7.581 ( 2.810 -4.397 10.425) 11.658 8.222 ( -2.001 3.436 -6.477) 7.600 8.222 ( -1.975 3.451 6.477) 7.600 8.556 ( -3.864 2.432 -7.509) 8.788 8.556 ( -0.174 4.562 7.509) 8.788 8.690 ( 0.908 -2.176 -5.783) 6.245 8.690 ( 1.430 -1.875 5.783) 6.245 8.819 ( -4.721 1.729 -1.793) 5.338 8.819 ( 0.863 4.953 1.793) 5.338 8.934 ( -8.465 3.634 -10.631) 14.067 8.934 ( 1.085 9.148 10.631) 14.067 9.208 ( 5.582 -11.133 -3.913) 13.055 9.208 ( 6.850 -10.401 3.913) 13.055 9.463 ( -5.244 5.337 -0.570) 7.503 9.463 ( -2.000 7.209 0.570) 7.503 9.711 ( 4.302 -9.242 -0.405) 10.202 9.711 ( 5.853 -8.347 0.405) 10.202 10.561 ( -8.837 14.342 -9.633) 19.406 10.561 ( -8.002 14.824 9.633) 19.406 10.783 ( 5.063 0.910 -7.097) 8.765 10.783 ( -3.320 -3.929 7.097) 8.765 10.811 ( -3.315 -7.239 -6.045) 9.997 10.811 ( 7.927 -0.748 6.045) 9.997 11.030 ( 2.423 -3.454 -1.410) 4.448 11.030 ( 1.779 -3.826 1.410) 4.448 11.461 ( -2.219 0.980 -2.043) 3.171 11.461 ( 0.261 2.411 2.043) 3.171 11.585 ( -4.498 7.094 -3.996) 9.301 11.585 ( -3.894 7.442 3.996) 9.301 11.733 ( -3.872 -3.353 -5.310) 7.378 11.733 ( 4.840 1.676 5.310) 7.378 11.839 ( 2.990 -7.727 -5.956) 10.204 11.839 ( 5.197 -6.453 5.956) 10.204 12.704 ( -6.984 8.354 -2.794) 11.242 12.704 ( -3.743 10.225 2.794) 11.242 12.875 ( -1.950 -1.949 -4.193) 5.019 12.875 ( 2.663 0.714 4.193) 5.019 12.922 ( -1.825 -6.122 -7.494) 9.847 12.922 ( 6.214 -1.481 7.494) 9.847 13.386 ( -4.564 7.749 -1.700) 9.153 13.386 ( -4.429 7.827 1.700) 9.153 13.625 ( 3.494 -9.026 -4.344) 10.609 13.625 ( 6.070 -7.539 4.344) 10.609 14.807 ( -5.710 6.338 0.601) 8.551 14.807 ( -2.634 8.113 -0.601) 8.551 15.046 ( 1.836 -10.044 -2.397) 10.488 15.046 ( 7.780 -6.613 2.397) 10.488 15.347 ( 5.037 -7.490 -16.769) 19.044 15.347 ( 3.968 -8.107 16.769) 19.044 17.379 ( -1.722 4.380 -1.528) 4.948 17.379 ( -2.933 3.681 1.528) 4.948 17.448 ( 0.420 -2.735 -2.233) 3.556 17.448 ( 2.159 -1.731 2.233) 3.556 17.987 ( -0.018 -0.000 -5.749) 5.749 17.987 ( 0.009 0.016 5.749) 5.749 19.483 ( -2.460 4.784 -4.148) 6.793 19.483 ( -2.913 4.522 4.148) 6.793 19.653 ( 3.192 -6.235 -3.732) 7.937 19.653 ( 3.804 -5.882 3.732) 7.937 21.919 ( -10.603 17.263 -4.319) 20.714 21.919 ( -9.649 17.814 4.319) 20.714 22.355 ( 8.684 -14.061 -5.188) 17.322 22.355 ( 7.835 -14.551 5.188) 17.322 22.902 ( 0.099 -0.153 -8.169) 8.171 22.902 ( 0.083 -0.162 8.169) 8.171 23.802 ( 0.129 -0.220 -4.931) 4.938 23.802 ( 0.126 -0.222 4.931) 4.938 =================== 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 3/43560 10.0 4804.842 4804.842 6315.992 -0.000 0.000 -0.000 3/43560 20.0 2165.169 2165.169 2647.157 -0.000 0.000 -0.000 3/43560 30.0 1228.605 1228.605 1329.971 -0.000 0.000 -0.000 3/43560 40.0 689.603 689.603 717.727 0.000 0.000 -0.000 3/43560 50.0 384.933 384.933 394.654 0.000 0.000 -0.000 3/43560 60.0 223.671 223.671 227.549 0.000 0.000 -0.000 3/43560 70.0 138.780 138.780 140.623 -0.000 0.000 -0.000 3/43560 80.0 92.328 92.328 93.380 -0.000 0.000 -0.000 3/43560 90.0 65.414 65.414 66.111 -0.000 0.000 -0.000 3/43560 100.0 48.864 48.864 49.376 -0.000 0.000 -0.000 3/43560 110.0 38.116 38.116 38.516 -0.000 0.000 -0.000 3/43560 120.0 30.793 30.793 31.119 -0.000 0.000 -0.000 3/43560 130.0 25.594 25.594 25.866 -0.000 0.000 -0.000 3/43560 140.0 21.770 21.770 22.001 -0.000 0.000 -0.000 3/43560 150.0 18.873 18.873 19.070 -0.000 0.000 -0.000 3/43560 160.0 16.621 16.621 16.789 -0.000 0.000 -0.000 3/43560 170.0 14.830 14.830 14.975 -0.000 0.000 -0.000 3/43560 180.0 13.379 13.379 13.503 -0.000 0.000 -0.000 3/43560 190.0 12.183 12.183 12.290 -0.000 0.000 -0.000 3/43560 200.0 11.183 11.183 11.274 -0.000 0.000 -0.000 3/43560 210.0 10.336 10.336 10.413 -0.000 0.000 -0.000 3/43560 220.0 9.610 9.610 9.675 -0.000 0.000 -0.000 3/43560 230.0 8.981 8.981 9.037 -0.000 0.000 -0.000 3/43560 240.0 8.432 8.432 8.478 -0.000 0.000 -0.000 3/43560 250.0 7.949 7.949 7.987 -0.000 0.000 -0.000 3/43560 260.0 7.520 7.520 7.550 -0.000 0.000 -0.000 3/43560 270.0 7.137 7.137 7.161 -0.000 0.000 -0.000 3/43560 280.0 6.793 6.793 6.811 -0.000 0.000 -0.000 3/43560 290.0 6.482 6.482 6.495 -0.000 0.000 -0.000 3/43560 300.0 6.200 6.200 6.208 -0.000 0.000 -0.000 3/43560 310.0 5.942 5.942 5.946 -0.000 0.000 -0.000 3/43560 320.0 5.706 5.706 5.706 -0.000 0.000 -0.000 3/43560 330.0 5.489 5.489 5.486 -0.000 0.000 -0.000 3/43560 340.0 5.289 5.289 5.283 -0.000 0.000 -0.000 3/43560 350.0 5.104 5.104 5.095 -0.000 0.000 -0.000 3/43560 360.0 4.932 4.932 4.921 -0.000 0.000 -0.000 3/43560 370.0 4.771 4.771 4.758 -0.000 0.000 -0.000 3/43560 380.0 4.622 4.622 4.607 -0.000 0.000 -0.000 3/43560 390.0 4.482 4.482 4.465 -0.000 0.000 -0.000 3/43560 400.0 4.350 4.350 4.332 -0.000 0.000 -0.000 3/43560 410.0 4.227 4.227 4.207 -0.000 0.000 -0.000 3/43560 420.0 4.110 4.110 4.090 -0.000 0.000 -0.000 3/43560 430.0 4.000 4.000 3.979 -0.000 0.000 -0.000 3/43560 440.0 3.897 3.897 3.874 -0.000 0.000 -0.000 3/43560 450.0 3.798 3.798 3.775 -0.000 0.000 -0.000 3/43560 460.0 3.705 3.705 3.681 -0.000 0.000 -0.000 3/43560 470.0 3.616 3.616 3.592 -0.000 0.000 -0.000 3/43560 480.0 3.532 3.532 3.507 -0.000 0.000 -0.000 3/43560 490.0 3.452 3.452 3.426 -0.000 0.000 -0.000 3/43560 500.0 3.375 3.375 3.349 -0.000 0.000 -0.000 3/43560 510.0 3.302 3.302 3.276 -0.000 0.000 -0.000 3/43560 520.0 3.232 3.232 3.206 -0.000 0.000 -0.000 3/43560 530.0 3.165 3.165 3.138 -0.000 0.000 -0.000 3/43560 540.0 3.101 3.101 3.074 -0.000 0.000 -0.000 3/43560 550.0 3.040 3.040 3.013 -0.000 0.000 -0.000 3/43560 560.0 2.981 2.981 2.953 -0.000 0.000 -0.000 3/43560 570.0 2.924 2.924 2.897 -0.000 0.000 -0.000 3/43560 580.0 2.870 2.870 2.842 -0.000 0.000 -0.000 3/43560 590.0 2.817 2.817 2.790 -0.000 0.000 -0.000 3/43560 600.0 2.767 2.767 2.739 -0.000 0.000 -0.000 3/43560 610.0 2.718 2.718 2.691 -0.000 0.000 -0.000 3/43560 620.0 2.671 2.671 2.644 -0.000 0.000 -0.000 3/43560 630.0 2.626 2.626 2.598 -0.000 0.000 -0.000 3/43560 640.0 2.582 2.582 2.555 -0.000 0.000 -0.000 3/43560 650.0 2.540 2.540 2.513 -0.000 0.000 -0.000 3/43560 660.0 2.499 2.499 2.472 -0.000 0.000 -0.000 3/43560 670.0 2.460 2.460 2.432 -0.000 0.000 -0.000 3/43560 680.0 2.421 2.421 2.394 -0.000 0.000 -0.000 3/43560 690.0 2.384 2.384 2.357 -0.000 0.000 -0.000 3/43560 700.0 2.348 2.348 2.321 -0.000 0.000 -0.000 3/43560 710.0 2.314 2.314 2.287 -0.000 0.000 -0.000 3/43560 720.0 2.280 2.280 2.253 -0.000 0.000 -0.000 3/43560 730.0 2.247 2.247 2.220 -0.000 0.000 -0.000 3/43560 740.0 2.215 2.215 2.189 -0.000 0.000 -0.000 3/43560 750.0 2.184 2.184 2.158 -0.000 0.000 -0.000 3/43560 760.0 2.154 2.154 2.128 -0.000 0.000 -0.000 3/43560 770.0 2.125 2.125 2.099 -0.000 0.000 -0.000 3/43560 780.0 2.096 2.096 2.071 -0.000 0.000 -0.000 3/43560 790.0 2.069 2.069 2.043 -0.000 0.000 -0.000 3/43560 800.0 2.042 2.042 2.016 -0.000 0.000 -0.000 3/43560 810.0 2.016 2.016 1.990 -0.000 0.000 -0.000 3/43560 820.0 1.990 1.990 1.965 -0.000 0.000 -0.000 3/43560 830.0 1.965 1.965 1.940 -0.000 0.000 -0.000 3/43560 840.0 1.941 1.941 1.916 -0.000 0.000 -0.000 3/43560 850.0 1.917 1.917 1.892 -0.000 0.000 -0.000 3/43560 860.0 1.894 1.894 1.869 -0.000 0.000 -0.000 3/43560 870.0 1.872 1.872 1.847 -0.000 0.000 -0.000 3/43560 880.0 1.850 1.850 1.825 -0.000 0.000 -0.000 3/43560 890.0 1.828 1.828 1.804 -0.000 0.000 -0.000 3/43560 900.0 1.807 1.807 1.783 -0.000 0.000 -0.000 3/43560 910.0 1.787 1.787 1.763 -0.000 0.000 -0.000 3/43560 920.0 1.767 1.767 1.743 -0.000 0.000 -0.000 3/43560 930.0 1.747 1.747 1.724 -0.000 0.000 -0.000 3/43560 940.0 1.728 1.728 1.705 -0.000 0.000 -0.000 3/43560 950.0 1.709 1.709 1.686 -0.000 0.000 -0.000 3/43560 960.0 1.691 1.691 1.668 -0.000 0.000 -0.000 3/43560 970.0 1.673 1.673 1.650 -0.000 0.000 -0.000 3/43560 980.0 1.656 1.656 1.633 -0.000 0.000 -0.000 3/43560 990.0 1.638 1.638 1.616 -0.000 0.000 -0.000 3/43560 1000.0 1.622 1.622 1.599 -0.000 0.000 -0.000 3/43560 Thermal conductivity related properties were written into "kappa-m11114.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:27:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|