----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:46:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.679476360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.683481199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.045492599999998 Atomic positions (fractional): *1 K 0.34106205173183 0.75000000000000 0.09386852199859 39.098 2 K 0.84106205173183 0.75000000000000 0.40613147800141 39.098 3 K 0.65893794826817 0.25000000000000 0.90613147800141 39.098 4 K 0.15893794826817 0.25000000000000 0.59386852199859 39.098 *5 K 0.01650756009732 0.75000000000000 0.81489190992227 39.098 6 K 0.51650756009732 0.75000000000000 0.68510809007773 39.098 7 K 0.98349243990268 0.25000000000000 0.18510809007773 39.098 8 K 0.48349243990268 0.25000000000000 0.31489190992227 39.098 *9 Zn 0.26143176104819 0.75000000000000 0.41849682740485 65.380 10 Zn 0.76143176104819 0.75000000000000 0.08150317259515 65.380 11 Zn 0.73856823895181 0.25000000000000 0.58150317259514 65.380 12 Zn 0.23856823895181 0.25000000000000 0.91849682740486 65.380 *13 H 0.18215326184696 0.98557328545824 0.34605961515508 1.008 14 H 0.68215326184696 0.51442671454176 0.15394038484492 1.008 15 H 0.81784673815304 0.48557328545824 0.65394038484492 1.008 16 H 0.31784673815304 0.01442671454176 0.84605961515508 1.008 17 H 0.81784673815304 0.01442671454176 0.65394038484492 1.008 18 H 0.31784673815304 0.48557328545824 0.84605961515508 1.008 19 H 0.18215326184696 0.51442671454176 0.34605961515508 1.008 20 H 0.68215326184696 0.98557328545824 0.15394038484492 1.008 *21 H 0.47412795738284 0.75000000000000 0.40744369386226 1.008 22 H 0.97412795738284 0.75000000000000 0.09255630613774 1.008 23 H 0.52587204261716 0.25000000000000 0.59255630613774 1.008 24 H 0.02587204261716 0.25000000000000 0.90744369386226 1.008 *25 H 0.69364897876539 0.75000000000000 0.92574365245005 1.008 26 H 0.19364897876539 0.75000000000000 0.57425634754995 1.008 27 H 0.30635102123461 0.25000000000000 0.07425634754995 1.008 28 H 0.80635102123461 0.25000000000000 0.42574365245005 1.008 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.679476360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.683481199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.045492599999998 Atomic positions (fractional): *1 K 0.34106205173183 0.75000000000000 0.09386852199859 39.098 > 1 2 K 0.84106205173183 0.75000000000000 0.40613147800141 39.098 > 2 3 K 0.65893794826817 0.25000000000000 0.90613147800141 39.098 > 3 4 K 0.15893794826817 0.25000000000000 0.59386852199859 39.098 > 4 *5 K 0.01650756009732 0.75000000000000 0.81489190992227 39.098 > 5 6 K 0.51650756009732 0.75000000000000 0.68510809007773 39.098 > 6 7 K 0.98349243990268 0.25000000000000 0.18510809007773 39.098 > 7 8 K 0.48349243990268 0.25000000000000 0.31489190992227 39.098 > 8 *9 Zn 0.26143176104819 0.75000000000000 0.41849682740485 65.380 > 9 10 Zn 0.76143176104819 0.75000000000000 0.08150317259515 65.380 > 10 11 Zn 0.73856823895181 0.25000000000000 0.58150317259514 65.380 > 11 12 Zn 0.23856823895181 0.25000000000000 0.91849682740486 65.380 > 12 *13 H 0.18215326184696 0.98557328545824 0.34605961515508 1.008 > 13 14 H 0.68215326184696 0.51442671454176 0.15394038484492 1.008 > 14 15 H 0.81784673815304 0.48557328545824 0.65394038484492 1.008 > 15 16 H 0.31784673815304 0.01442671454176 0.84605961515508 1.008 > 16 17 H 0.81784673815304 0.01442671454176 0.65394038484492 1.008 > 17 18 H 0.31784673815304 0.48557328545824 0.84605961515508 1.008 > 18 19 H 0.18215326184696 0.51442671454176 0.34605961515508 1.008 > 19 20 H 0.68215326184696 0.98557328545824 0.15394038484492 1.008 > 20 *21 H 0.47412795738284 0.75000000000000 0.40744369386226 1.008 > 21 22 H 0.97412795738284 0.75000000000000 0.09255630613774 1.008 > 22 23 H 0.52587204261716 0.25000000000000 0.59255630613774 1.008 > 23 24 H 0.02587204261716 0.25000000000000 0.90744369386226 1.008 > 24 *25 H 0.69364897876539 0.75000000000000 0.92574365245005 1.008 > 25 26 H 0.19364897876539 0.75000000000000 0.57425634754995 1.008 > 26 27 H 0.30635102123461 0.25000000000000 0.07425634754995 1.008 > 27 28 H 0.80635102123461 0.25000000000000 0.42574365245005 1.008 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.358952720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.366962399999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.045492599999998 Atomic positions (fractional): *1 K 0.17053102586592 0.37500000000000 0.09386852199859 39.098 > 1 2 K 0.67053102586592 0.37500000000000 0.09386852199859 39.098 > 1 3 K 0.17053102586592 0.87500000000000 0.09386852199859 39.098 > 1 4 K 0.67053102586592 0.87500000000000 0.09386852199859 39.098 > 1 5 K 0.42053102586592 0.37500000000000 0.40613147800141 39.098 > 2 6 K 0.92053102586592 0.37500000000000 0.40613147800141 39.098 > 2 7 K 0.42053102586592 0.87500000000000 0.40613147800141 39.098 > 2 8 K 0.92053102586592 0.87500000000000 0.40613147800141 39.098 > 2 9 K 0.32946897413408 0.12500000000000 0.90613147800141 39.098 > 3 10 K 0.82946897413408 0.12500000000000 0.90613147800141 39.098 > 3 11 K 0.32946897413408 0.62500000000000 0.90613147800141 39.098 > 3 12 K 0.82946897413408 0.62500000000000 0.90613147800141 39.098 > 3 13 K 0.07946897413408 0.12500000000000 0.59386852199859 39.098 > 4 14 K 0.57946897413408 0.12500000000000 0.59386852199859 39.098 > 4 15 K 0.07946897413408 0.62500000000000 0.59386852199859 39.098 > 4 16 K 0.57946897413408 0.62500000000000 0.59386852199859 39.098 > 4 *17 K 0.00825378004866 0.37500000000000 0.81489190992227 39.098 > 5 18 K 0.50825378004866 0.37500000000000 0.81489190992227 39.098 > 5 19 K 0.00825378004866 0.87500000000000 0.81489190992227 39.098 > 5 20 K 0.50825378004866 0.87500000000000 0.81489190992227 39.098 > 5 21 K 0.25825378004866 0.37500000000000 0.68510809007773 39.098 > 6 22 K 0.75825378004866 0.37500000000000 0.68510809007773 39.098 > 6 23 K 0.25825378004866 0.87500000000000 0.68510809007773 39.098 > 6 24 K 0.75825378004866 0.87500000000000 0.68510809007773 39.098 > 6 25 K 0.49174621995134 0.12500000000000 0.18510809007773 39.098 > 7 26 K 0.99174621995134 0.12500000000000 0.18510809007773 39.098 > 7 27 K 0.49174621995134 0.62500000000000 0.18510809007773 39.098 > 7 28 K 0.99174621995134 0.62500000000000 0.18510809007773 39.098 > 7 29 K 0.24174621995134 0.12500000000000 0.31489190992227 39.098 > 8 30 K 0.74174621995134 0.12500000000000 0.31489190992227 39.098 > 8 31 K 0.24174621995134 0.62500000000000 0.31489190992227 39.098 > 8 32 K 0.74174621995134 0.62500000000000 0.31489190992227 39.098 > 8 *33 Zn 0.13071588052409 0.37500000000000 0.41849682740485 65.380 > 9 34 Zn 0.63071588052409 0.37500000000000 0.41849682740485 65.380 > 9 35 Zn 0.13071588052409 0.87500000000000 0.41849682740485 65.380 > 9 36 Zn 0.63071588052409 0.87500000000000 0.41849682740485 65.380 > 9 37 Zn 0.38071588052409 0.37500000000000 0.08150317259515 65.380 > 10 38 Zn 0.88071588052409 0.37500000000000 0.08150317259515 65.380 > 10 39 Zn 0.38071588052409 0.87500000000000 0.08150317259515 65.380 > 10 40 Zn 0.88071588052409 0.87500000000000 0.08150317259515 65.380 > 10 41 Zn 0.36928411947591 0.12500000000000 0.58150317259514 65.380 > 11 42 Zn 0.86928411947591 0.12500000000000 0.58150317259514 65.380 > 11 43 Zn 0.36928411947591 0.62500000000000 0.58150317259514 65.380 > 11 44 Zn 0.86928411947591 0.62500000000000 0.58150317259514 65.380 > 11 45 Zn 0.11928411947591 0.12500000000000 0.91849682740486 65.380 > 12 46 Zn 0.61928411947591 0.12500000000000 0.91849682740486 65.380 > 12 47 Zn 0.11928411947591 0.62500000000000 0.91849682740486 65.380 > 12 48 Zn 0.61928411947591 0.62500000000000 0.91849682740486 65.380 > 12 *49 H 0.09107663092348 0.49278664272912 0.34605961515508 1.008 > 13 50 H 0.59107663092348 0.49278664272912 0.34605961515508 1.008 > 13 51 H 0.09107663092348 0.99278664272912 0.34605961515508 1.008 > 13 52 H 0.59107663092348 0.99278664272912 0.34605961515508 1.008 > 13 53 H 0.34107663092348 0.25721335727088 0.15394038484492 1.008 > 14 54 H 0.84107663092348 0.25721335727088 0.15394038484492 1.008 > 14 55 H 0.34107663092348 0.75721335727088 0.15394038484492 1.008 > 14 56 H 0.84107663092348 0.75721335727088 0.15394038484492 1.008 > 14 57 H 0.40892336907652 0.24278664272912 0.65394038484492 1.008 > 15 58 H 0.90892336907652 0.24278664272912 0.65394038484492 1.008 > 15 59 H 0.40892336907652 0.74278664272912 0.65394038484492 1.008 > 15 60 H 0.90892336907652 0.74278664272912 0.65394038484492 1.008 > 15 61 H 0.15892336907652 0.00721335727088 0.84605961515508 1.008 > 16 62 H 0.65892336907652 0.00721335727088 0.84605961515508 1.008 > 16 63 H 0.15892336907652 0.50721335727088 0.84605961515508 1.008 > 16 64 H 0.65892336907652 0.50721335727088 0.84605961515508 1.008 > 16 65 H 0.40892336907652 0.00721335727088 0.65394038484492 1.008 > 17 66 H 0.90892336907652 0.00721335727088 0.65394038484492 1.008 > 17 67 H 0.40892336907652 0.50721335727088 0.65394038484492 1.008 > 17 68 H 0.90892336907652 0.50721335727088 0.65394038484492 1.008 > 17 69 H 0.15892336907652 0.24278664272912 0.84605961515508 1.008 > 18 70 H 0.65892336907652 0.24278664272912 0.84605961515508 1.008 > 18 71 H 0.15892336907652 0.74278664272912 0.84605961515508 1.008 > 18 72 H 0.65892336907652 0.74278664272912 0.84605961515508 1.008 > 18 73 H 0.09107663092348 0.25721335727088 0.34605961515508 1.008 > 19 74 H 0.59107663092348 0.25721335727088 0.34605961515508 1.008 > 19 75 H 0.09107663092348 0.75721335727088 0.34605961515508 1.008 > 19 76 H 0.59107663092348 0.75721335727088 0.34605961515508 1.008 > 19 77 H 0.34107663092348 0.49278664272912 0.15394038484492 1.008 > 20 78 H 0.84107663092348 0.49278664272912 0.15394038484492 1.008 > 20 79 H 0.34107663092348 0.99278664272912 0.15394038484492 1.008 > 20 80 H 0.84107663092348 0.99278664272912 0.15394038484492 1.008 > 20 *81 H 0.23706397869142 0.37500000000000 0.40744369386226 1.008 > 21 82 H 0.73706397869142 0.37500000000000 0.40744369386226 1.008 > 21 83 H 0.23706397869142 0.87500000000000 0.40744369386226 1.008 > 21 84 H 0.73706397869142 0.87500000000000 0.40744369386226 1.008 > 21 85 H 0.48706397869142 0.37500000000000 0.09255630613774 1.008 > 22 86 H 0.98706397869142 0.37500000000000 0.09255630613774 1.008 > 22 87 H 0.48706397869142 0.87500000000000 0.09255630613774 1.008 > 22 88 H 0.98706397869142 0.87500000000000 0.09255630613774 1.008 > 22 89 H 0.26293602130858 0.12500000000000 0.59255630613774 1.008 > 23 90 H 0.76293602130858 0.12500000000000 0.59255630613774 1.008 > 23 91 H 0.26293602130858 0.62500000000000 0.59255630613774 1.008 > 23 92 H 0.76293602130858 0.62500000000000 0.59255630613774 1.008 > 23 93 H 0.01293602130858 0.12500000000000 0.90744369386226 1.008 > 24 94 H 0.51293602130858 0.12500000000000 0.90744369386226 1.008 > 24 95 H 0.01293602130858 0.62500000000000 0.90744369386226 1.008 > 24 96 H 0.51293602130858 0.62500000000000 0.90744369386226 1.008 > 24 *97 H 0.34682448938270 0.37500000000000 0.92574365245005 1.008 > 25 98 H 0.84682448938270 0.37500000000000 0.92574365245005 1.008 > 25 99 H 0.34682448938270 0.87500000000000 0.92574365245005 1.008 > 25 100 H 0.84682448938270 0.87500000000000 0.92574365245005 1.008 > 25 101 H 0.09682448938270 0.37500000000000 0.57425634754995 1.008 > 26 102 H 0.59682448938270 0.37500000000000 0.57425634754995 1.008 > 26 103 H 0.09682448938270 0.87500000000000 0.57425634754995 1.008 > 26 104 H 0.59682448938270 0.87500000000000 0.57425634754995 1.008 > 26 105 H 0.15317551061730 0.12500000000000 0.07425634754995 1.008 > 27 106 H 0.65317551061730 0.12500000000000 0.07425634754995 1.008 > 27 107 H 0.15317551061730 0.62500000000000 0.07425634754995 1.008 > 27 108 H 0.65317551061730 0.62500000000000 0.07425634754995 1.008 > 27 109 H 0.40317551061730 0.12500000000000 0.42574365245005 1.008 > 28 110 H 0.90317551061730 0.12500000000000 0.42574365245005 1.008 > 28 111 H 0.40317551061730 0.62500000000000 0.42574365245005 1.008 > 28 112 H 0.90317551061730 0.62500000000000 0.42574365245005 1.008 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1969487 0.0000000 0.0000000 0.0000000 3.2237294 0.0000000 0.0000000 0.0000000 3.1825592 -------------------------- Born effective charges -------------------------- 1 K 1.1365172 0.0000000 0.0088397 0.0000000 1.0416800 0.0000000 -0.0117500 0.0000000 1.0783634 2 K 1.1365172 0.0000000 -0.0088397 0.0000000 1.0416800 0.0000000 0.0117500 0.0000000 1.0783634 3 K 1.1365172 0.0000000 0.0088397 0.0000000 1.0416800 0.0000000 -0.0117500 0.0000000 1.0783634 4 K 1.1365172 0.0000000 -0.0088397 0.0000000 1.0416800 0.0000000 0.0117500 0.0000000 1.0783634 5 K 0.9903911 0.0000000 -0.0104578 0.0000000 1.1161415 0.0000000 -0.0095318 0.0000000 1.0807814 6 K 0.9903911 0.0000000 0.0104578 0.0000000 1.1161415 0.0000000 0.0095318 0.0000000 1.0807814 7 K 0.9903911 0.0000000 -0.0104578 0.0000000 1.1161415 0.0000000 -0.0095318 0.0000000 1.0807814 8 K 0.9903911 0.0000000 0.0104578 0.0000000 1.1161415 0.0000000 0.0095318 0.0000000 1.0807814 9 Zn 0.7816947 0.0000000 -0.0135263 0.0000000 0.7213745 0.0000000 0.0002334 0.0000000 0.6765332 10 Zn 0.7816947 0.0000000 0.0135263 0.0000000 0.7213745 0.0000000 -0.0002334 0.0000000 0.6765332 11 Zn 0.7816947 0.0000000 -0.0135263 0.0000000 0.7213745 0.0000000 0.0002334 0.0000000 0.6765332 12 Zn 0.7816947 0.0000000 0.0135263 0.0000000 0.7213745 0.0000000 -0.0002334 0.0000000 0.6765332 13 H -0.6410892 0.1213151 -0.0811090 0.1382282 -0.8650655 0.1690429 -0.0474679 0.1579623 -0.6464266 14 H -0.6410892 -0.1213151 0.0811090 -0.1382282 -0.8650655 0.1690429 0.0474679 0.1579623 -0.6464266 15 H -0.6410892 -0.1213151 -0.0811090 -0.1382282 -0.8650655 -0.1690429 -0.0474679 -0.1579623 -0.6464266 16 H -0.6410892 0.1213151 0.0811090 0.1382282 -0.8650655 -0.1690429 0.0474679 -0.1579623 -0.6464266 17 H -0.6410892 0.1213151 -0.0811090 0.1382282 -0.8650655 0.1690429 -0.0474679 0.1579623 -0.6464266 18 H -0.6410892 -0.1213151 0.0811090 -0.1382282 -0.8650655 0.1690429 0.0474679 0.1579623 -0.6464266 19 H -0.6410892 -0.1213151 -0.0811090 -0.1382282 -0.8650655 -0.1690429 -0.0474679 -0.1579623 -0.6464266 20 H -0.6410892 0.1213151 0.0811090 0.1382282 -0.8650655 -0.1690429 0.0474679 -0.1579623 -0.6464266 21 H -1.0142201 0.0000000 -0.0049306 0.0000000 -0.5717853 0.0000000 0.0104093 0.0000000 -0.5615322 22 H -1.0142201 0.0000000 0.0049306 0.0000000 -0.5717853 0.0000000 -0.0104093 0.0000000 -0.5615322 23 H -1.0142201 0.0000000 -0.0049306 0.0000000 -0.5717853 0.0000000 0.0104093 0.0000000 -0.5615322 24 H -1.0142201 0.0000000 0.0049306 0.0000000 -0.5717853 0.0000000 -0.0104093 0.0000000 -0.5615322 25 H -0.6122046 0.0000000 -0.1383390 0.0000000 -0.5772798 0.0000000 -0.1276726 0.0000000 -0.9812926 26 H -0.6122046 0.0000000 0.1383390 0.0000000 -0.5772798 0.0000000 0.1276726 0.0000000 -0.9812926 27 H -0.6122046 0.0000000 -0.1383390 0.0000000 -0.5772798 0.0000000 -0.1276726 0.0000000 -0.9812926 28 H -0.6122046 0.0000000 0.1383390 0.0000000 -0.5772798 0.0000000 0.1276726 0.0000000 -0.9812926 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.023 Solver_block: 200 / 480 - Time: 3.042 Solver_block: 300 / 480 - Time: 3.048 Solver_block: 400 / 480 - Time: 3.039 Solver_block: 480 / 480 - Time: 2.465 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.665 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1898 Number of blocks in projector: 1898 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 292 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 274 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 274 Use standard eigh solver. Tree of FC basis block matrices: - (1898, 1864), data: False |-- (274, 268), data: True |-- (274, 268), data: True |-- (274, 268), data: True |-- (292, 290), data: True |-- (292, 290), data: True |-- (492, 480), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 21:47:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:47:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.679476360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.683481199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.045492599999998 Atomic positions (fractional): 1 K 0.34106205173183 0.75000000000000 0.09386852199859 39.098 2 K 0.84106205173183 0.75000000000000 0.40613147800141 39.098 3 K 0.65893794826817 0.25000000000000 0.90613147800141 39.098 4 K 0.15893794826817 0.25000000000000 0.59386852199859 39.098 5 K 0.01650756009732 0.75000000000000 0.81489190992227 39.098 6 K 0.51650756009732 0.75000000000000 0.68510809007773 39.098 7 K 0.98349243990268 0.25000000000000 0.18510809007773 39.098 8 K 0.48349243990268 0.25000000000000 0.31489190992227 39.098 9 Zn 0.26143176104819 0.75000000000000 0.41849682740485 65.380 10 Zn 0.76143176104819 0.75000000000000 0.08150317259515 65.380 11 Zn 0.73856823895181 0.25000000000000 0.58150317259514 65.380 12 Zn 0.23856823895181 0.25000000000000 0.91849682740486 65.380 13 H 0.18215326184696 0.98557328545824 0.34605961515508 1.008 14 H 0.68215326184696 0.51442671454176 0.15394038484492 1.008 15 H 0.81784673815304 0.48557328545824 0.65394038484492 1.008 16 H 0.31784673815304 0.01442671454176 0.84605961515508 1.008 17 H 0.81784673815304 0.01442671454176 0.65394038484492 1.008 18 H 0.31784673815304 0.48557328545824 0.84605961515508 1.008 19 H 0.18215326184696 0.51442671454176 0.34605961515508 1.008 20 H 0.68215326184696 0.98557328545824 0.15394038484492 1.008 21 H 0.47412795738284 0.75000000000000 0.40744369386226 1.008 22 H 0.97412795738284 0.75000000000000 0.09255630613774 1.008 23 H 0.52587204261716 0.25000000000000 0.59255630613774 1.008 24 H 0.02587204261716 0.25000000000000 0.90744369386226 1.008 25 H 0.69364897876539 0.75000000000000 0.92574365245005 1.008 26 H 0.19364897876539 0.75000000000000 0.57425634754995 1.008 27 H 0.30635102123461 0.25000000000000 0.07425634754995 1.008 28 H 0.80635102123461 0.25000000000000 0.42574365245005 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.358952720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.366962399999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.045492599999998 Atomic positions (fractional): 1 K 0.17053102586592 0.37500000000000 0.09386852199859 39.098 > 1 2 K 0.67053102586592 0.37500000000000 0.09386852199859 39.098 > 1 3 K 0.17053102586592 0.87500000000000 0.09386852199859 39.098 > 1 4 K 0.67053102586592 0.87500000000000 0.09386852199859 39.098 > 1 5 K 0.42053102586592 0.37500000000000 0.40613147800141 39.098 > 5 6 K 0.92053102586592 0.37500000000000 0.40613147800141 39.098 > 5 7 K 0.42053102586592 0.87500000000000 0.40613147800141 39.098 > 5 8 K 0.92053102586592 0.87500000000000 0.40613147800141 39.098 > 5 9 K 0.32946897413408 0.12500000000000 0.90613147800141 39.098 > 9 10 K 0.82946897413408 0.12500000000000 0.90613147800141 39.098 > 9 11 K 0.32946897413408 0.62500000000000 0.90613147800141 39.098 > 9 12 K 0.82946897413408 0.62500000000000 0.90613147800141 39.098 > 9 13 K 0.07946897413408 0.12500000000000 0.59386852199859 39.098 > 13 14 K 0.57946897413408 0.12500000000000 0.59386852199859 39.098 > 13 15 K 0.07946897413408 0.62500000000000 0.59386852199859 39.098 > 13 16 K 0.57946897413408 0.62500000000000 0.59386852199859 39.098 > 13 17 K 0.00825378004866 0.37500000000000 0.81489190992227 39.098 > 17 18 K 0.50825378004866 0.37500000000000 0.81489190992227 39.098 > 17 19 K 0.00825378004866 0.87500000000000 0.81489190992227 39.098 > 17 20 K 0.50825378004866 0.87500000000000 0.81489190992227 39.098 > 17 21 K 0.25825378004866 0.37500000000000 0.68510809007773 39.098 > 21 22 K 0.75825378004866 0.37500000000000 0.68510809007773 39.098 > 21 23 K 0.25825378004866 0.87500000000000 0.68510809007773 39.098 > 21 24 K 0.75825378004866 0.87500000000000 0.68510809007773 39.098 > 21 25 K 0.49174621995134 0.12500000000000 0.18510809007773 39.098 > 25 26 K 0.99174621995134 0.12500000000000 0.18510809007773 39.098 > 25 27 K 0.49174621995134 0.62500000000000 0.18510809007773 39.098 > 25 28 K 0.99174621995134 0.62500000000000 0.18510809007773 39.098 > 25 29 K 0.24174621995134 0.12500000000000 0.31489190992227 39.098 > 29 30 K 0.74174621995134 0.12500000000000 0.31489190992227 39.098 > 29 31 K 0.24174621995134 0.62500000000000 0.31489190992227 39.098 > 29 32 K 0.74174621995134 0.62500000000000 0.31489190992227 39.098 > 29 33 Zn 0.13071588052409 0.37500000000000 0.41849682740485 65.380 > 33 34 Zn 0.63071588052409 0.37500000000000 0.41849682740485 65.380 > 33 35 Zn 0.13071588052409 0.87500000000000 0.41849682740485 65.380 > 33 36 Zn 0.63071588052409 0.87500000000000 0.41849682740485 65.380 > 33 37 Zn 0.38071588052409 0.37500000000000 0.08150317259515 65.380 > 37 38 Zn 0.88071588052409 0.37500000000000 0.08150317259515 65.380 > 37 39 Zn 0.38071588052409 0.87500000000000 0.08150317259515 65.380 > 37 40 Zn 0.88071588052409 0.87500000000000 0.08150317259515 65.380 > 37 41 Zn 0.36928411947591 0.12500000000000 0.58150317259514 65.380 > 41 42 Zn 0.86928411947591 0.12500000000000 0.58150317259514 65.380 > 41 43 Zn 0.36928411947591 0.62500000000000 0.58150317259514 65.380 > 41 44 Zn 0.86928411947591 0.62500000000000 0.58150317259514 65.380 > 41 45 Zn 0.11928411947591 0.12500000000000 0.91849682740486 65.380 > 45 46 Zn 0.61928411947591 0.12500000000000 0.91849682740486 65.380 > 45 47 Zn 0.11928411947591 0.62500000000000 0.91849682740486 65.380 > 45 48 Zn 0.61928411947591 0.62500000000000 0.91849682740486 65.380 > 45 49 H 0.09107663092348 0.49278664272912 0.34605961515508 1.008 > 49 50 H 0.59107663092348 0.49278664272912 0.34605961515508 1.008 > 49 51 H 0.09107663092348 0.99278664272912 0.34605961515508 1.008 > 49 52 H 0.59107663092348 0.99278664272912 0.34605961515508 1.008 > 49 53 H 0.34107663092348 0.25721335727088 0.15394038484492 1.008 > 53 54 H 0.84107663092348 0.25721335727088 0.15394038484492 1.008 > 53 55 H 0.34107663092348 0.75721335727088 0.15394038484492 1.008 > 53 56 H 0.84107663092348 0.75721335727088 0.15394038484492 1.008 > 53 57 H 0.40892336907652 0.24278664272912 0.65394038484492 1.008 > 57 58 H 0.90892336907652 0.24278664272912 0.65394038484492 1.008 > 57 59 H 0.40892336907652 0.74278664272912 0.65394038484492 1.008 > 57 60 H 0.90892336907652 0.74278664272912 0.65394038484492 1.008 > 57 61 H 0.15892336907652 0.00721335727088 0.84605961515508 1.008 > 61 62 H 0.65892336907652 0.00721335727088 0.84605961515508 1.008 > 61 63 H 0.15892336907652 0.50721335727088 0.84605961515508 1.008 > 61 64 H 0.65892336907652 0.50721335727088 0.84605961515508 1.008 > 61 65 H 0.40892336907652 0.00721335727088 0.65394038484492 1.008 > 65 66 H 0.90892336907652 0.00721335727088 0.65394038484492 1.008 > 65 67 H 0.40892336907652 0.50721335727088 0.65394038484492 1.008 > 65 68 H 0.90892336907652 0.50721335727088 0.65394038484492 1.008 > 65 69 H 0.15892336907652 0.24278664272912 0.84605961515508 1.008 > 69 70 H 0.65892336907652 0.24278664272912 0.84605961515508 1.008 > 69 71 H 0.15892336907652 0.74278664272912 0.84605961515508 1.008 > 69 72 H 0.65892336907652 0.74278664272912 0.84605961515508 1.008 > 69 73 H 0.09107663092348 0.25721335727088 0.34605961515508 1.008 > 73 74 H 0.59107663092348 0.25721335727088 0.34605961515508 1.008 > 73 75 H 0.09107663092348 0.75721335727088 0.34605961515508 1.008 > 73 76 H 0.59107663092348 0.75721335727088 0.34605961515508 1.008 > 73 77 H 0.34107663092348 0.49278664272912 0.15394038484492 1.008 > 77 78 H 0.84107663092348 0.49278664272912 0.15394038484492 1.008 > 77 79 H 0.34107663092348 0.99278664272912 0.15394038484492 1.008 > 77 80 H 0.84107663092348 0.99278664272912 0.15394038484492 1.008 > 77 81 H 0.23706397869142 0.37500000000000 0.40744369386226 1.008 > 81 82 H 0.73706397869142 0.37500000000000 0.40744369386226 1.008 > 81 83 H 0.23706397869142 0.87500000000000 0.40744369386226 1.008 > 81 84 H 0.73706397869142 0.87500000000000 0.40744369386226 1.008 > 81 85 H 0.48706397869142 0.37500000000000 0.09255630613774 1.008 > 85 86 H 0.98706397869142 0.37500000000000 0.09255630613774 1.008 > 85 87 H 0.48706397869142 0.87500000000000 0.09255630613774 1.008 > 85 88 H 0.98706397869142 0.87500000000000 0.09255630613774 1.008 > 85 89 H 0.26293602130858 0.12500000000000 0.59255630613774 1.008 > 89 90 H 0.76293602130858 0.12500000000000 0.59255630613774 1.008 > 89 91 H 0.26293602130858 0.62500000000000 0.59255630613774 1.008 > 89 92 H 0.76293602130858 0.62500000000000 0.59255630613774 1.008 > 89 93 H 0.01293602130858 0.12500000000000 0.90744369386226 1.008 > 93 94 H 0.51293602130858 0.12500000000000 0.90744369386226 1.008 > 93 95 H 0.01293602130858 0.62500000000000 0.90744369386226 1.008 > 93 96 H 0.51293602130858 0.62500000000000 0.90744369386226 1.008 > 93 97 H 0.34682448938270 0.37500000000000 0.92574365245005 1.008 > 97 98 H 0.84682448938270 0.37500000000000 0.92574365245005 1.008 > 97 99 H 0.34682448938270 0.87500000000000 0.92574365245005 1.008 > 97 100 H 0.84682448938270 0.87500000000000 0.92574365245005 1.008 > 97 101 H 0.09682448938270 0.37500000000000 0.57425634754995 1.008 > 101 102 H 0.59682448938270 0.37500000000000 0.57425634754995 1.008 > 101 103 H 0.09682448938270 0.87500000000000 0.57425634754995 1.008 > 101 104 H 0.59682448938270 0.87500000000000 0.57425634754995 1.008 > 101 105 H 0.15317551061730 0.12500000000000 0.07425634754995 1.008 > 105 106 H 0.65317551061730 0.12500000000000 0.07425634754995 1.008 > 105 107 H 0.15317551061730 0.62500000000000 0.07425634754995 1.008 > 105 108 H 0.65317551061730 0.62500000000000 0.07425634754995 1.008 > 105 109 H 0.40317551061730 0.12500000000000 0.42574365245005 1.008 > 109 110 H 0.90317551061730 0.12500000000000 0.42574365245005 1.008 > 109 111 H 0.40317551061730 0.62500000000000 0.42574365245005 1.008 > 109 112 H 0.90317551061730 0.62500000000000 0.42574365245005 1.008 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1969487 0.0000000 0.0000000 0.0000000 3.2237294 0.0000000 0.0000000 0.0000000 3.1825592 -------------------------- Born effective charges -------------------------- 1 K 1.1365172 0.0000000 0.0088397 0.0000000 1.0416800 0.0000000 -0.0117500 0.0000000 1.0783634 2 K 1.1365172 0.0000000 -0.0088397 0.0000000 1.0416800 0.0000000 0.0117500 0.0000000 1.0783634 3 K 1.1365172 0.0000000 0.0088397 0.0000000 1.0416800 0.0000000 -0.0117500 0.0000000 1.0783634 4 K 1.1365172 0.0000000 -0.0088397 0.0000000 1.0416800 0.0000000 0.0117500 0.0000000 1.0783634 5 K 0.9903911 0.0000000 -0.0104578 0.0000000 1.1161415 0.0000000 -0.0095318 0.0000000 1.0807814 6 K 0.9903911 0.0000000 0.0104578 0.0000000 1.1161415 0.0000000 0.0095318 0.0000000 1.0807814 7 K 0.9903911 0.0000000 -0.0104578 0.0000000 1.1161415 0.0000000 -0.0095318 0.0000000 1.0807814 8 K 0.9903911 0.0000000 0.0104578 0.0000000 1.1161415 0.0000000 0.0095318 0.0000000 1.0807814 9 Zn 0.7816947 0.0000000 -0.0135263 0.0000000 0.7213745 0.0000000 0.0002334 0.0000000 0.6765332 10 Zn 0.7816947 0.0000000 0.0135263 0.0000000 0.7213745 0.0000000 -0.0002334 0.0000000 0.6765332 11 Zn 0.7816947 0.0000000 -0.0135263 0.0000000 0.7213745 0.0000000 0.0002334 0.0000000 0.6765332 12 Zn 0.7816947 0.0000000 0.0135263 0.0000000 0.7213745 0.0000000 -0.0002334 0.0000000 0.6765332 13 H -0.6410892 0.1213151 -0.0811090 0.1382282 -0.8650655 0.1690429 -0.0474679 0.1579623 -0.6464266 14 H -0.6410892 -0.1213151 0.0811090 -0.1382282 -0.8650655 0.1690429 0.0474679 0.1579623 -0.6464266 15 H -0.6410892 -0.1213151 -0.0811090 -0.1382282 -0.8650655 -0.1690429 -0.0474679 -0.1579623 -0.6464266 16 H -0.6410892 0.1213151 0.0811090 0.1382282 -0.8650655 -0.1690429 0.0474679 -0.1579623 -0.6464266 17 H -0.6410892 0.1213151 -0.0811090 0.1382282 -0.8650655 0.1690429 -0.0474679 0.1579623 -0.6464266 18 H -0.6410892 -0.1213151 0.0811090 -0.1382282 -0.8650655 0.1690429 0.0474679 0.1579623 -0.6464266 19 H -0.6410892 -0.1213151 -0.0811090 -0.1382282 -0.8650655 -0.1690429 -0.0474679 -0.1579623 -0.6464266 20 H -0.6410892 0.1213151 0.0811090 0.1382282 -0.8650655 -0.1690429 0.0474679 -0.1579623 -0.6464266 21 H -1.0142201 0.0000000 -0.0049306 0.0000000 -0.5717853 0.0000000 0.0104093 0.0000000 -0.5615322 22 H -1.0142201 0.0000000 0.0049306 0.0000000 -0.5717853 0.0000000 -0.0104093 0.0000000 -0.5615322 23 H -1.0142201 0.0000000 -0.0049306 0.0000000 -0.5717853 0.0000000 0.0104093 0.0000000 -0.5615322 24 H -1.0142201 0.0000000 0.0049306 0.0000000 -0.5717853 0.0000000 -0.0104093 0.0000000 -0.5615322 25 H -0.6122046 0.0000000 -0.1383390 0.0000000 -0.5772798 0.0000000 -0.1276726 0.0000000 -0.9812926 26 H -0.6122046 0.0000000 0.1383390 0.0000000 -0.5772798 0.0000000 0.1276726 0.0000000 -0.9812926 27 H -0.6122046 0.0000000 -0.1383390 0.0000000 -0.5772798 0.0000000 -0.1276726 0.0000000 -0.9812926 28 H -0.6122046 0.0000000 0.1383390 0.0000000 -0.5772798 0.0000000 0.1276726 0.0000000 -0.9812926 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) 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 21:47:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:47:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.679476360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 5.683481199999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.045492599999998 Atomic positions (fractional): 1 K 0.34106205173183 0.75000000000000 0.09386852199859 39.098 2 K 0.84106205173183 0.75000000000000 0.40613147800141 39.098 3 K 0.65893794826817 0.25000000000000 0.90613147800141 39.098 4 K 0.15893794826817 0.25000000000000 0.59386852199859 39.098 5 K 0.01650756009732 0.75000000000000 0.81489190992227 39.098 6 K 0.51650756009732 0.75000000000000 0.68510809007773 39.098 7 K 0.98349243990268 0.25000000000000 0.18510809007773 39.098 8 K 0.48349243990268 0.25000000000000 0.31489190992227 39.098 9 Zn 0.26143176104819 0.75000000000000 0.41849682740485 65.380 10 Zn 0.76143176104819 0.75000000000000 0.08150317259515 65.380 11 Zn 0.73856823895181 0.25000000000000 0.58150317259514 65.380 12 Zn 0.23856823895181 0.25000000000000 0.91849682740486 65.380 13 H 0.18215326184696 0.98557328545824 0.34605961515508 1.008 14 H 0.68215326184696 0.51442671454176 0.15394038484492 1.008 15 H 0.81784673815304 0.48557328545824 0.65394038484492 1.008 16 H 0.31784673815304 0.01442671454176 0.84605961515508 1.008 17 H 0.81784673815304 0.01442671454176 0.65394038484492 1.008 18 H 0.31784673815304 0.48557328545824 0.84605961515508 1.008 19 H 0.18215326184696 0.51442671454176 0.34605961515508 1.008 20 H 0.68215326184696 0.98557328545824 0.15394038484492 1.008 21 H 0.47412795738284 0.75000000000000 0.40744369386226 1.008 22 H 0.97412795738284 0.75000000000000 0.09255630613774 1.008 23 H 0.52587204261716 0.25000000000000 0.59255630613774 1.008 24 H 0.02587204261716 0.25000000000000 0.90744369386226 1.008 25 H 0.69364897876539 0.75000000000000 0.92574365245005 1.008 26 H 0.19364897876539 0.75000000000000 0.57425634754995 1.008 27 H 0.30635102123461 0.25000000000000 0.07425634754995 1.008 28 H 0.80635102123461 0.25000000000000 0.42574365245005 1.008 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.358952720000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.366962399999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.045492599999998 Atomic positions (fractional): 1 K 0.17053102586592 0.37500000000000 0.09386852199859 39.098 > 1 2 K 0.67053102586592 0.37500000000000 0.09386852199859 39.098 > 1 3 K 0.17053102586592 0.87500000000000 0.09386852199859 39.098 > 1 4 K 0.67053102586592 0.87500000000000 0.09386852199859 39.098 > 1 5 K 0.42053102586592 0.37500000000000 0.40613147800141 39.098 > 5 6 K 0.92053102586592 0.37500000000000 0.40613147800141 39.098 > 5 7 K 0.42053102586592 0.87500000000000 0.40613147800141 39.098 > 5 8 K 0.92053102586592 0.87500000000000 0.40613147800141 39.098 > 5 9 K 0.32946897413408 0.12500000000000 0.90613147800141 39.098 > 9 10 K 0.82946897413408 0.12500000000000 0.90613147800141 39.098 > 9 11 K 0.32946897413408 0.62500000000000 0.90613147800141 39.098 > 9 12 K 0.82946897413408 0.62500000000000 0.90613147800141 39.098 > 9 13 K 0.07946897413408 0.12500000000000 0.59386852199859 39.098 > 13 14 K 0.57946897413408 0.12500000000000 0.59386852199859 39.098 > 13 15 K 0.07946897413408 0.62500000000000 0.59386852199859 39.098 > 13 16 K 0.57946897413408 0.62500000000000 0.59386852199859 39.098 > 13 17 K 0.00825378004866 0.37500000000000 0.81489190992227 39.098 > 17 18 K 0.50825378004866 0.37500000000000 0.81489190992227 39.098 > 17 19 K 0.00825378004866 0.87500000000000 0.81489190992227 39.098 > 17 20 K 0.50825378004866 0.87500000000000 0.81489190992227 39.098 > 17 21 K 0.25825378004866 0.37500000000000 0.68510809007773 39.098 > 21 22 K 0.75825378004866 0.37500000000000 0.68510809007773 39.098 > 21 23 K 0.25825378004866 0.87500000000000 0.68510809007773 39.098 > 21 24 K 0.75825378004866 0.87500000000000 0.68510809007773 39.098 > 21 25 K 0.49174621995134 0.12500000000000 0.18510809007773 39.098 > 25 26 K 0.99174621995134 0.12500000000000 0.18510809007773 39.098 > 25 27 K 0.49174621995134 0.62500000000000 0.18510809007773 39.098 > 25 28 K 0.99174621995134 0.62500000000000 0.18510809007773 39.098 > 25 29 K 0.24174621995134 0.12500000000000 0.31489190992227 39.098 > 29 30 K 0.74174621995134 0.12500000000000 0.31489190992227 39.098 > 29 31 K 0.24174621995134 0.62500000000000 0.31489190992227 39.098 > 29 32 K 0.74174621995134 0.62500000000000 0.31489190992227 39.098 > 29 33 Zn 0.13071588052409 0.37500000000000 0.41849682740485 65.380 > 33 34 Zn 0.63071588052409 0.37500000000000 0.41849682740485 65.380 > 33 35 Zn 0.13071588052409 0.87500000000000 0.41849682740485 65.380 > 33 36 Zn 0.63071588052409 0.87500000000000 0.41849682740485 65.380 > 33 37 Zn 0.38071588052409 0.37500000000000 0.08150317259515 65.380 > 37 38 Zn 0.88071588052409 0.37500000000000 0.08150317259515 65.380 > 37 39 Zn 0.38071588052409 0.87500000000000 0.08150317259515 65.380 > 37 40 Zn 0.88071588052409 0.87500000000000 0.08150317259515 65.380 > 37 41 Zn 0.36928411947591 0.12500000000000 0.58150317259514 65.380 > 41 42 Zn 0.86928411947591 0.12500000000000 0.58150317259514 65.380 > 41 43 Zn 0.36928411947591 0.62500000000000 0.58150317259514 65.380 > 41 44 Zn 0.86928411947591 0.62500000000000 0.58150317259514 65.380 > 41 45 Zn 0.11928411947591 0.12500000000000 0.91849682740486 65.380 > 45 46 Zn 0.61928411947591 0.12500000000000 0.91849682740486 65.380 > 45 47 Zn 0.11928411947591 0.62500000000000 0.91849682740486 65.380 > 45 48 Zn 0.61928411947591 0.62500000000000 0.91849682740486 65.380 > 45 49 H 0.09107663092348 0.49278664272912 0.34605961515508 1.008 > 49 50 H 0.59107663092348 0.49278664272912 0.34605961515508 1.008 > 49 51 H 0.09107663092348 0.99278664272912 0.34605961515508 1.008 > 49 52 H 0.59107663092348 0.99278664272912 0.34605961515508 1.008 > 49 53 H 0.34107663092348 0.25721335727088 0.15394038484492 1.008 > 53 54 H 0.84107663092348 0.25721335727088 0.15394038484492 1.008 > 53 55 H 0.34107663092348 0.75721335727088 0.15394038484492 1.008 > 53 56 H 0.84107663092348 0.75721335727088 0.15394038484492 1.008 > 53 57 H 0.40892336907652 0.24278664272912 0.65394038484492 1.008 > 57 58 H 0.90892336907652 0.24278664272912 0.65394038484492 1.008 > 57 59 H 0.40892336907652 0.74278664272912 0.65394038484492 1.008 > 57 60 H 0.90892336907652 0.74278664272912 0.65394038484492 1.008 > 57 61 H 0.15892336907652 0.00721335727088 0.84605961515508 1.008 > 61 62 H 0.65892336907652 0.00721335727088 0.84605961515508 1.008 > 61 63 H 0.15892336907652 0.50721335727088 0.84605961515508 1.008 > 61 64 H 0.65892336907652 0.50721335727088 0.84605961515508 1.008 > 61 65 H 0.40892336907652 0.00721335727088 0.65394038484492 1.008 > 65 66 H 0.90892336907652 0.00721335727088 0.65394038484492 1.008 > 65 67 H 0.40892336907652 0.50721335727088 0.65394038484492 1.008 > 65 68 H 0.90892336907652 0.50721335727088 0.65394038484492 1.008 > 65 69 H 0.15892336907652 0.24278664272912 0.84605961515508 1.008 > 69 70 H 0.65892336907652 0.24278664272912 0.84605961515508 1.008 > 69 71 H 0.15892336907652 0.74278664272912 0.84605961515508 1.008 > 69 72 H 0.65892336907652 0.74278664272912 0.84605961515508 1.008 > 69 73 H 0.09107663092348 0.25721335727088 0.34605961515508 1.008 > 73 74 H 0.59107663092348 0.25721335727088 0.34605961515508 1.008 > 73 75 H 0.09107663092348 0.75721335727088 0.34605961515508 1.008 > 73 76 H 0.59107663092348 0.75721335727088 0.34605961515508 1.008 > 73 77 H 0.34107663092348 0.49278664272912 0.15394038484492 1.008 > 77 78 H 0.84107663092348 0.49278664272912 0.15394038484492 1.008 > 77 79 H 0.34107663092348 0.99278664272912 0.15394038484492 1.008 > 77 80 H 0.84107663092348 0.99278664272912 0.15394038484492 1.008 > 77 81 H 0.23706397869142 0.37500000000000 0.40744369386226 1.008 > 81 82 H 0.73706397869142 0.37500000000000 0.40744369386226 1.008 > 81 83 H 0.23706397869142 0.87500000000000 0.40744369386226 1.008 > 81 84 H 0.73706397869142 0.87500000000000 0.40744369386226 1.008 > 81 85 H 0.48706397869142 0.37500000000000 0.09255630613774 1.008 > 85 86 H 0.98706397869142 0.37500000000000 0.09255630613774 1.008 > 85 87 H 0.48706397869142 0.87500000000000 0.09255630613774 1.008 > 85 88 H 0.98706397869142 0.87500000000000 0.09255630613774 1.008 > 85 89 H 0.26293602130858 0.12500000000000 0.59255630613774 1.008 > 89 90 H 0.76293602130858 0.12500000000000 0.59255630613774 1.008 > 89 91 H 0.26293602130858 0.62500000000000 0.59255630613774 1.008 > 89 92 H 0.76293602130858 0.62500000000000 0.59255630613774 1.008 > 89 93 H 0.01293602130858 0.12500000000000 0.90744369386226 1.008 > 93 94 H 0.51293602130858 0.12500000000000 0.90744369386226 1.008 > 93 95 H 0.01293602130858 0.62500000000000 0.90744369386226 1.008 > 93 96 H 0.51293602130858 0.62500000000000 0.90744369386226 1.008 > 93 97 H 0.34682448938270 0.37500000000000 0.92574365245005 1.008 > 97 98 H 0.84682448938270 0.37500000000000 0.92574365245005 1.008 > 97 99 H 0.34682448938270 0.87500000000000 0.92574365245005 1.008 > 97 100 H 0.84682448938270 0.87500000000000 0.92574365245005 1.008 > 97 101 H 0.09682448938270 0.37500000000000 0.57425634754995 1.008 > 101 102 H 0.59682448938270 0.37500000000000 0.57425634754995 1.008 > 101 103 H 0.09682448938270 0.87500000000000 0.57425634754995 1.008 > 101 104 H 0.59682448938270 0.87500000000000 0.57425634754995 1.008 > 101 105 H 0.15317551061730 0.12500000000000 0.07425634754995 1.008 > 105 106 H 0.65317551061730 0.12500000000000 0.07425634754995 1.008 > 105 107 H 0.15317551061730 0.62500000000000 0.07425634754995 1.008 > 105 108 H 0.65317551061730 0.62500000000000 0.07425634754995 1.008 > 105 109 H 0.40317551061730 0.12500000000000 0.42574365245005 1.008 > 109 110 H 0.90317551061730 0.12500000000000 0.42574365245005 1.008 > 109 111 H 0.40317551061730 0.62500000000000 0.42574365245005 1.008 > 109 112 H 0.90317551061730 0.62500000000000 0.42574365245005 1.008 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1969487 0.0000000 0.0000000 0.0000000 3.2237294 0.0000000 0.0000000 0.0000000 3.1825592 -------------------------- Born effective charges -------------------------- 1 K 1.1365172 0.0000000 0.0088397 0.0000000 1.0416800 0.0000000 -0.0117500 0.0000000 1.0783634 2 K 1.1365172 0.0000000 -0.0088397 0.0000000 1.0416800 0.0000000 0.0117500 0.0000000 1.0783634 3 K 1.1365172 0.0000000 0.0088397 0.0000000 1.0416800 0.0000000 -0.0117500 0.0000000 1.0783634 4 K 1.1365172 0.0000000 -0.0088397 0.0000000 1.0416800 0.0000000 0.0117500 0.0000000 1.0783634 5 K 0.9903911 0.0000000 -0.0104578 0.0000000 1.1161415 0.0000000 -0.0095318 0.0000000 1.0807814 6 K 0.9903911 0.0000000 0.0104578 0.0000000 1.1161415 0.0000000 0.0095318 0.0000000 1.0807814 7 K 0.9903911 0.0000000 -0.0104578 0.0000000 1.1161415 0.0000000 -0.0095318 0.0000000 1.0807814 8 K 0.9903911 0.0000000 0.0104578 0.0000000 1.1161415 0.0000000 0.0095318 0.0000000 1.0807814 9 Zn 0.7816947 0.0000000 -0.0135263 0.0000000 0.7213745 0.0000000 0.0002334 0.0000000 0.6765332 10 Zn 0.7816947 0.0000000 0.0135263 0.0000000 0.7213745 0.0000000 -0.0002334 0.0000000 0.6765332 11 Zn 0.7816947 0.0000000 -0.0135263 0.0000000 0.7213745 0.0000000 0.0002334 0.0000000 0.6765332 12 Zn 0.7816947 0.0000000 0.0135263 0.0000000 0.7213745 0.0000000 -0.0002334 0.0000000 0.6765332 13 H -0.6410892 0.1213151 -0.0811090 0.1382282 -0.8650655 0.1690429 -0.0474679 0.1579623 -0.6464266 14 H -0.6410892 -0.1213151 0.0811090 -0.1382282 -0.8650655 0.1690429 0.0474679 0.1579623 -0.6464266 15 H -0.6410892 -0.1213151 -0.0811090 -0.1382282 -0.8650655 -0.1690429 -0.0474679 -0.1579623 -0.6464266 16 H -0.6410892 0.1213151 0.0811090 0.1382282 -0.8650655 -0.1690429 0.0474679 -0.1579623 -0.6464266 17 H -0.6410892 0.1213151 -0.0811090 0.1382282 -0.8650655 0.1690429 -0.0474679 0.1579623 -0.6464266 18 H -0.6410892 -0.1213151 0.0811090 -0.1382282 -0.8650655 0.1690429 0.0474679 0.1579623 -0.6464266 19 H -0.6410892 -0.1213151 -0.0811090 -0.1382282 -0.8650655 -0.1690429 -0.0474679 -0.1579623 -0.6464266 20 H -0.6410892 0.1213151 0.0811090 0.1382282 -0.8650655 -0.1690429 0.0474679 -0.1579623 -0.6464266 21 H -1.0142201 0.0000000 -0.0049306 0.0000000 -0.5717853 0.0000000 0.0104093 0.0000000 -0.5615322 22 H -1.0142201 0.0000000 0.0049306 0.0000000 -0.5717853 0.0000000 -0.0104093 0.0000000 -0.5615322 23 H -1.0142201 0.0000000 -0.0049306 0.0000000 -0.5717853 0.0000000 0.0104093 0.0000000 -0.5615322 24 H -1.0142201 0.0000000 0.0049306 0.0000000 -0.5717853 0.0000000 -0.0104093 0.0000000 -0.5615322 25 H -0.6122046 0.0000000 -0.1383390 0.0000000 -0.5772798 0.0000000 -0.1276726 0.0000000 -0.9812926 26 H -0.6122046 0.0000000 0.1383390 0.0000000 -0.5772798 0.0000000 0.1276726 0.0000000 -0.9812926 27 H -0.6122046 0.0000000 -0.1383390 0.0000000 -0.5772798 0.0000000 -0.1276726 0.0000000 -0.9812926 28 H -0.6122046 0.0000000 0.1383390 0.0000000 -0.5772798 0.0000000 0.1276726 0.0000000 -0.9812926 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxy) -0.00000001 (yxy) -0.00000001 (yyx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 297, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.799 ( 0.000 0.000 0.000) 0.000 1.840 ( 0.000 0.000 0.000) 0.000 1.976 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 0.000 0.000) 0.000 2.197 ( 0.000 0.000 0.000) 0.000 2.572 ( 0.000 0.000 0.000) 0.000 2.600 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.171 ( 0.000 0.000 0.000) 0.000 3.176 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.646 ( 0.000 0.000 0.000) 0.000 3.671 ( 0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.730 ( 0.000 0.000 0.000) 0.000 3.770 ( 0.000 0.000 0.000) 0.000 3.813 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.275 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.350 ( 0.000 0.000 0.000) 0.000 4.487 ( 0.000 0.000 0.000) 0.000 4.557 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 8.050 ( 0.000 0.000 0.000) 0.000 8.397 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 10.071 ( 0.000 0.000 0.000) 0.000 10.210 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 10.791 ( 0.000 0.000 0.000) 0.000 10.843 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.408 ( 0.000 0.000 0.000) 0.000 17.678 ( 0.000 0.000 0.000) 0.000 18.221 ( 0.000 0.000 0.000) 0.000 18.619 ( 0.000 0.000 0.000) 0.000 18.870 ( 0.000 0.000 0.000) 0.000 19.138 ( 0.000 0.000 0.000) 0.000 19.150 ( 0.000 0.000 0.000) 0.000 19.397 ( 0.000 0.000 0.000) 0.000 19.489 ( 0.000 0.000 0.000) 0.000 19.684 ( 0.000 0.000 0.000) 0.000 20.455 ( 0.000 0.000 0.000) 0.000 20.829 ( 0.000 0.000 0.000) 0.000 20.857 ( 0.000 0.000 0.000) 0.000 21.036 ( 0.000 0.000 0.000) 0.000 21.173 ( 0.000 0.000 0.000) 0.000 21.190 ( 0.000 0.000 0.000) 0.000 21.233 ( 0.000 0.000 0.000) 0.000 21.332 ( 0.000 0.000 0.000) 0.000 21.434 ( 0.000 0.000 0.000) 0.000 21.862 ( 0.000 0.000 0.000) 0.000 21.935 ( 0.000 0.000 0.000) 0.000 44.098 ( 0.000 0.000 0.000) 0.000 44.404 ( 0.000 0.000 0.000) 0.000 44.618 ( 0.000 0.000 0.000) 0.000 44.961 ( 0.000 0.000 0.000) 0.000 45.250 ( 0.000 0.000 0.000) 0.000 45.290 ( 0.000 0.000 0.000) 0.000 45.292 ( 0.000 0.000 0.000) 0.000 45.311 ( 0.000 0.000 0.000) 0.000 45.356 ( 0.000 0.000 0.000) 0.000 45.511 ( 0.000 0.000 0.000) 0.000 45.659 ( 0.000 0.000 0.000) 0.000 45.769 ( 0.000 0.000 0.000) 0.000 47.214 ( 0.000 0.000 0.000) 0.000 47.360 ( 0.000 0.000 0.000) 0.000 47.390 ( 0.000 0.000 0.000) 0.000 47.431 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( 23.983 0.000 0.000) 23.983 0.468 ( 24.826 0.000 0.000) 24.826 0.759 ( 39.978 0.000 0.000) 39.978 1.818 ( 1.430 0.000 0.000) 1.430 1.877 ( 3.866 0.000 0.000) 3.866 2.002 ( 2.079 0.000 0.000) 2.079 2.098 ( -6.537 0.000 0.000) 6.537 2.204 ( 0.703 0.000 0.000) 0.703 2.528 ( -5.467 0.000 0.000) 5.467 2.642 ( 4.069 0.000 0.000) 4.069 2.698 ( -2.458 0.000 0.000) 2.458 2.715 ( -1.308 0.000 0.000) 1.308 2.778 ( -4.277 0.000 0.000) 4.277 2.792 ( -2.038 0.000 0.000) 2.038 2.823 ( 2.598 0.000 0.000) 2.598 3.019 ( 2.101 0.000 0.000) 2.101 3.087 ( -2.440 0.000 0.000) 2.440 3.204 ( 3.559 0.000 0.000) 3.559 3.221 ( 3.514 0.000 0.000) 3.514 3.378 ( 7.851 0.000 0.000) 7.851 3.454 ( 1.055 0.000 0.000) 1.055 3.461 ( -0.092 0.000 0.000) 0.092 3.597 ( -7.568 0.000 0.000) 7.568 3.654 ( -0.973 0.000 0.000) 0.973 3.684 ( -2.012 0.000 0.000) 2.012 3.699 ( 4.554 0.000 0.000) 4.554 3.755 ( -2.397 0.000 0.000) 2.397 3.788 ( 5.309 0.000 0.000) 5.309 3.986 ( 1.024 0.000 0.000) 1.024 4.201 ( -3.584 0.000 0.000) 3.584 4.252 ( -2.455 0.000 0.000) 2.455 4.320 ( -3.765 0.000 0.000) 3.765 4.461 ( -2.662 0.000 0.000) 2.662 4.594 ( 1.570 0.000 0.000) 1.570 4.623 ( -1.020 0.000 0.000) 1.020 4.824 ( -2.847 0.000 0.000) 2.847 8.030 ( -1.620 0.000 0.000) 1.620 8.344 ( -5.088 0.000 0.000) 5.088 9.282 ( 10.416 0.000 0.000) 10.416 9.316 ( 6.361 0.000 0.000) 6.361 10.043 ( -2.931 0.000 0.000) 2.931 10.200 ( -1.236 0.000 0.000) 1.236 10.299 ( -2.217 0.000 0.000) 2.217 10.376 ( -12.887 0.000 0.000) 12.887 10.831 ( 4.146 0.000 0.000) 4.146 11.054 ( 14.492 0.000 0.000) 14.492 11.328 ( 1.373 0.000 0.000) 1.373 11.386 ( -2.437 0.000 0.000) 2.437 17.735 ( 5.990 0.000 0.000) 5.990 18.245 ( 2.626 0.000 0.000) 2.626 18.617 ( -0.332 0.000 0.000) 0.332 18.803 ( -6.960 0.000 0.000) 6.960 19.129 ( -1.939 0.000 0.000) 1.939 19.152 ( -18.539 0.000 0.000) 18.539 19.365 ( -3.365 0.000 0.000) 3.365 20.053 ( -27.215 0.000 0.000) 27.215 20.071 ( 23.841 0.000 0.000) 23.841 20.870 ( 1.295 0.000 0.000) 1.295 20.973 ( 13.804 0.000 0.000) 13.804 21.028 ( -0.828 0.000 0.000) 0.828 21.083 ( -3.248 0.000 0.000) 3.248 21.192 ( 1.900 0.000 0.000) 1.900 21.342 ( 0.903 0.000 0.000) 0.903 21.374 ( 11.175 0.000 0.000) 11.175 21.424 ( -1.089 0.000 0.000) 1.089 21.872 ( 0.831 0.000 0.000) 0.831 21.960 ( 2.993 0.000 0.000) 2.993 22.584 ( -3.280 0.000 0.000) 3.280 44.107 ( 1.046 0.000 0.000) 1.046 44.371 ( -3.044 0.000 0.000) 3.044 44.658 ( 3.835 0.000 0.000) 3.835 45.194 ( -5.310 0.000 0.000) 5.310 45.290 ( 0.067 0.000 0.000) 0.067 45.294 ( 0.226 0.000 0.000) 0.226 45.311 ( 0.034 0.000 0.000) 0.034 45.353 ( -0.257 0.000 0.000) 0.257 45.535 ( 2.428 0.000 0.000) 2.428 45.709 ( 2.217 0.000 0.000) 2.217 45.713 ( 5.804 0.000 0.000) 5.804 46.628 ( -5.490 0.000 0.000) 5.490 47.238 ( 2.237 0.000 0.000) 2.237 47.351 ( -0.741 0.000 0.000) 0.741 47.403 ( 1.112 0.000 0.000) 1.112 47.428 ( -0.337 0.000 0.000) 0.337 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 22.300 0.000 0.000) 22.300 0.917 ( 23.207 0.000 0.000) 23.207 1.468 ( 35.488 0.000 0.000) 35.488 1.809 ( -3.882 0.000 0.000) 3.882 1.892 ( -12.496 0.000 0.000) 12.496 1.972 ( 5.858 0.000 0.000) 5.858 2.089 ( 4.161 0.000 0.000) 4.161 2.217 ( 0.526 0.000 0.000) 0.526 2.402 ( -6.162 0.000 0.000) 6.162 2.666 ( -1.273 0.000 0.000) 1.273 2.670 ( -5.550 0.000 0.000) 5.550 2.686 ( -1.596 0.000 0.000) 1.596 2.737 ( 4.022 0.000 0.000) 4.022 2.741 ( -3.170 0.000 0.000) 3.170 2.864 ( 1.711 0.000 0.000) 1.711 3.081 ( 4.060 0.000 0.000) 4.060 3.098 ( 2.729 0.000 0.000) 2.729 3.276 ( 1.357 0.000 0.000) 1.357 3.295 ( 5.899 0.000 0.000) 5.899 3.370 ( -16.143 0.000 0.000) 16.143 3.391 ( -1.620 0.000 0.000) 1.620 3.481 ( 1.623 0.000 0.000) 1.623 3.585 ( 8.676 0.000 0.000) 8.676 3.625 ( -1.989 0.000 0.000) 1.989 3.630 ( -3.668 0.000 0.000) 3.668 3.725 ( 0.545 0.000 0.000) 0.545 3.812 ( 7.119 0.000 0.000) 7.119 3.889 ( 4.348 0.000 0.000) 4.348 4.035 ( 5.073 0.000 0.000) 5.073 4.147 ( -4.149 0.000 0.000) 4.149 4.185 ( -4.690 0.000 0.000) 4.690 4.235 ( -3.220 0.000 0.000) 3.220 4.393 ( -4.435 0.000 0.000) 4.435 4.525 ( -6.418 0.000 0.000) 6.418 4.658 ( 1.896 0.000 0.000) 1.896 4.759 ( -3.687 0.000 0.000) 3.687 8.011 ( 0.048 0.000 0.000) 0.048 8.231 ( -6.479 0.000 0.000) 6.479 9.462 ( 8.718 0.000 0.000) 8.718 9.517 ( 13.415 0.000 0.000) 13.415 9.970 ( -4.456 0.000 0.000) 4.456 10.155 ( -3.818 0.000 0.000) 3.818 10.186 ( -7.015 0.000 0.000) 7.015 10.238 ( -4.155 0.000 0.000) 4.155 10.936 ( 6.843 0.000 0.000) 6.843 11.284 ( 9.520 0.000 0.000) 9.520 11.318 ( -4.787 0.000 0.000) 4.787 11.366 ( 2.486 0.000 0.000) 2.486 17.893 ( 10.756 0.000 0.000) 10.756 18.316 ( 4.878 0.000 0.000) 4.878 18.597 ( -2.224 0.000 0.000) 2.224 18.623 ( -11.934 0.000 0.000) 11.934 18.908 ( -6.820 0.000 0.000) 6.820 19.096 ( -1.039 0.000 0.000) 1.039 19.281 ( -5.308 0.000 0.000) 5.308 19.557 ( -25.124 0.000 0.000) 25.124 20.464 ( 17.757 0.000 0.000) 17.757 20.902 ( 2.020 0.000 0.000) 2.020 20.972 ( -4.518 0.000 0.000) 4.518 21.007 ( -1.356 0.000 0.000) 1.356 21.211 ( 7.812 0.000 0.000) 7.812 21.238 ( 2.889 0.000 0.000) 2.889 21.358 ( 0.568 0.000 0.000) 0.568 21.394 ( -2.037 0.000 0.000) 2.037 21.596 ( 11.598 0.000 0.000) 11.598 21.882 ( -0.029 0.000 0.000) 0.029 22.051 ( 6.701 0.000 0.000) 6.701 22.495 ( -6.232 0.000 0.000) 6.232 44.136 ( 1.991 0.000 0.000) 1.991 44.306 ( -3.697 0.000 0.000) 3.697 44.744 ( 5.179 0.000 0.000) 5.179 45.079 ( -6.635 0.000 0.000) 6.635 45.292 ( 0.125 0.000 0.000) 0.125 45.298 ( 0.113 0.000 0.000) 0.113 45.314 ( 0.338 0.000 0.000) 0.338 45.346 ( -0.490 0.000 0.000) 0.490 45.592 ( 3.563 0.000 0.000) 3.563 45.738 ( 0.477 0.000 0.000) 0.477 45.868 ( 10.446 0.000 0.000) 10.446 46.491 ( -8.968 0.000 0.000) 8.968 47.280 ( 1.921 0.000 0.000) 1.921 47.336 ( -0.787 0.000 0.000) 0.787 47.424 ( 1.021 0.000 0.000) 1.021 47.425 ( 0.184 0.000 0.000) 0.184 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 19.795 0.000 0.000) 19.795 1.321 ( 19.929 0.000 0.000) 19.929 1.618 ( -16.650 0.000 0.000) 16.650 1.641 ( -13.787 0.000 0.000) 13.787 2.007 ( 17.421 0.000 0.000) 17.421 2.073 ( 4.027 0.000 0.000) 4.027 2.166 ( 3.651 0.000 0.000) 3.651 2.213 ( -1.270 0.000 0.000) 1.270 2.367 ( 5.206 0.000 0.000) 5.206 2.544 ( -8.339 0.000 0.000) 8.339 2.667 ( -0.096 0.000 0.000) 0.096 2.681 ( 4.429 0.000 0.000) 4.429 2.688 ( -2.209 0.000 0.000) 2.209 2.788 ( -0.532 0.000 0.000) 0.532 2.883 ( 0.607 0.000 0.000) 0.607 3.000 ( -16.853 0.000 0.000) 16.853 3.147 ( 1.734 0.000 0.000) 1.734 3.148 ( 1.655 0.000 0.000) 1.655 3.329 ( 2.322 0.000 0.000) 2.322 3.365 ( -1.423 0.000 0.000) 1.423 3.410 ( 6.052 0.000 0.000) 6.052 3.496 ( -1.604 0.000 0.000) 1.604 3.566 ( -1.547 0.000 0.000) 1.547 3.585 ( -2.108 0.000 0.000) 2.108 3.727 ( 5.817 0.000 0.000) 5.817 3.760 ( 1.756 0.000 0.000) 1.756 3.935 ( 1.790 0.000 0.000) 1.790 3.950 ( 7.430 0.000 0.000) 7.430 4.021 ( -7.433 0.000 0.000) 7.433 4.081 ( -6.455 0.000 0.000) 6.455 4.180 ( 9.268 0.000 0.000) 9.268 4.235 ( 1.879 0.000 0.000) 1.879 4.311 ( -3.757 0.000 0.000) 3.757 4.377 ( -9.065 0.000 0.000) 9.065 4.680 ( 0.806 0.000 0.000) 0.806 4.703 ( -2.047 0.000 0.000) 2.047 8.039 ( 2.970 0.000 0.000) 2.970 8.118 ( -5.386 0.000 0.000) 5.386 9.620 ( 7.741 0.000 0.000) 7.741 9.699 ( 2.495 0.000 0.000) 2.495 9.927 ( 2.782 0.000 0.000) 2.782 10.051 ( -7.286 0.000 0.000) 7.286 10.120 ( -0.269 0.000 0.000) 0.269 10.159 ( -3.796 0.000 0.000) 3.796 11.074 ( 7.641 0.000 0.000) 7.641 11.210 ( -6.739 0.000 0.000) 6.739 11.399 ( 2.924 0.000 0.000) 2.924 11.407 ( 1.472 0.000 0.000) 1.472 18.121 ( 13.388 0.000 0.000) 13.388 18.378 ( -13.910 0.000 0.000) 13.910 18.420 ( 6.044 0.000 0.000) 6.044 18.528 ( -5.083 0.000 0.000) 5.083 18.910 ( 6.853 0.000 0.000) 6.853 19.108 ( 2.467 0.000 0.000) 2.467 19.148 ( -18.101 0.000 0.000) 18.101 19.181 ( -5.053 0.000 0.000) 5.053 20.726 ( 10.635 0.000 0.000) 10.635 20.876 ( -6.112 0.000 0.000) 6.112 20.941 ( 2.099 0.000 0.000) 2.099 20.978 ( -1.793 0.000 0.000) 1.793 21.295 ( 3.079 0.000 0.000) 3.079 21.314 ( 3.606 0.000 0.000) 3.606 21.349 ( -2.736 0.000 0.000) 2.736 21.355 ( -0.997 0.000 0.000) 0.997 21.774 ( 7.126 0.000 0.000) 7.126 21.861 ( -2.542 0.000 0.000) 2.542 22.198 ( 8.624 0.000 0.000) 8.624 22.358 ( -8.272 0.000 0.000) 8.272 44.181 ( 2.801 0.000 0.000) 2.801 44.239 ( -3.434 0.000 0.000) 3.434 44.846 ( 5.728 0.000 0.000) 5.728 44.958 ( -6.277 0.000 0.000) 6.277 45.295 ( 0.154 0.000 0.000) 0.154 45.297 ( -0.109 0.000 0.000) 0.109 45.323 ( 0.638 0.000 0.000) 0.638 45.336 ( -0.645 0.000 0.000) 0.645 45.662 ( 3.719 0.000 0.000) 3.719 45.721 ( -2.262 0.000 0.000) 2.262 46.083 ( 12.074 0.000 0.000) 12.074 46.302 ( -11.207 0.000 0.000) 11.207 47.306 ( 0.977 0.000 0.000) 0.977 47.322 ( -0.784 0.000 0.000) 0.784 47.433 ( 0.493 0.000 0.000) 0.493 47.437 ( 0.263 0.000 0.000) 0.263 ======================= Grid point 7 (5/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 0.000 24.964 0.000) 24.964 0.495 ( 0.000 25.077 0.000) 25.077 0.805 ( 0.000 40.253 0.000) 40.253 1.846 ( 0.000 4.728 0.000) 4.728 1.872 ( 0.000 3.320 0.000) 3.320 2.035 ( 0.000 5.405 0.000) 5.405 2.232 ( 0.000 2.291 0.000) 2.291 2.256 ( 0.000 8.532 0.000) 8.532 2.561 ( 0.000 -1.275 0.000) 1.275 2.573 ( 0.000 -2.762 0.000) 2.762 2.670 ( 0.000 0.887 0.000) 0.887 2.711 ( 0.000 -5.663 0.000) 5.663 2.774 ( 0.000 0.500 0.000) 0.500 2.787 ( 0.000 1.015 0.000) 1.015 2.875 ( 0.000 1.367 0.000) 1.367 3.008 ( 0.000 0.172 0.000) 0.172 3.101 ( 0.000 -5.756 0.000) 5.756 3.157 ( 0.000 -3.194 0.000) 3.194 3.179 ( 0.000 -4.193 0.000) 4.193 3.245 ( 0.000 6.779 0.000) 6.779 3.471 ( 0.000 -7.221 0.000) 7.221 3.479 ( 0.000 0.927 0.000) 0.927 3.585 ( 0.000 -2.532 0.000) 2.532 3.649 ( 0.000 -2.582 0.000) 2.582 3.766 ( 0.000 5.651 0.000) 5.651 3.785 ( 0.000 -2.667 0.000) 2.667 3.786 ( 0.000 3.788 0.000) 3.788 3.800 ( 0.000 3.013 0.000) 3.013 4.224 ( 0.000 -4.402 0.000) 4.402 4.277 ( 0.000 1.101 0.000) 1.101 4.308 ( 0.000 -0.630 0.000) 0.630 4.346 ( 0.000 -0.342 0.000) 0.342 4.469 ( 0.000 -1.656 0.000) 1.656 4.567 ( 0.000 1.082 0.000) 1.082 4.579 ( 0.000 -1.635 0.000) 1.635 4.609 ( 0.000 -2.617 0.000) 2.617 8.202 ( 0.000 14.769 0.000) 14.769 8.495 ( 0.000 8.044 0.000) 8.044 9.262 ( 0.000 0.746 0.000) 0.746 9.305 ( 0.000 12.239 0.000) 12.239 10.062 ( 0.000 -1.013 0.000) 1.013 10.247 ( 0.000 2.389 0.000) 2.389 10.460 ( 0.000 12.968 0.000) 12.968 10.490 ( 0.000 -5.136 0.000) 5.136 10.875 ( 0.000 3.212 0.000) 3.212 10.919 ( 0.000 9.570 0.000) 9.570 11.233 ( 0.000 -3.516 0.000) 3.516 11.520 ( 0.000 8.282 0.000) 8.282 17.706 ( 0.000 2.845 0.000) 2.845 18.605 ( 0.000 -1.695 0.000) 1.695 18.875 ( 0.000 0.626 0.000) 0.626 19.160 ( 0.000 2.204 0.000) 2.204 19.238 ( 0.000 8.868 0.000) 8.868 19.477 ( 0.000 7.799 0.000) 7.799 19.522 ( 0.000 3.280 0.000) 3.280 19.717 ( 0.000 3.649 0.000) 3.649 20.375 ( 0.000 -7.382 0.000) 7.382 20.629 ( 0.000 -15.978 0.000) 15.978 20.814 ( 0.000 -4.269 0.000) 4.269 20.874 ( 0.000 1.307 0.000) 1.307 21.171 ( 0.000 0.813 0.000) 0.813 21.217 ( 0.000 2.764 0.000) 2.764 21.371 ( 0.000 9.163 0.000) 9.163 21.380 ( 0.000 4.394 0.000) 4.394 21.457 ( 0.000 2.309 0.000) 2.309 21.777 ( 0.000 -0.800 0.000) 0.800 21.822 ( 0.000 -3.855 0.000) 3.855 21.906 ( 0.000 -2.909 0.000) 2.909 44.112 ( 0.000 1.443 0.000) 1.443 44.392 ( 0.000 -1.100 0.000) 1.100 44.579 ( 0.000 -3.464 0.000) 3.464 44.965 ( 0.000 0.393 0.000) 0.393 45.129 ( 0.000 -16.070 0.000) 16.070 45.236 ( 0.000 -1.396 0.000) 1.396 45.240 ( 0.000 -4.222 0.000) 4.222 45.353 ( 0.000 5.214 0.000) 5.214 45.639 ( 0.000 9.917 0.000) 9.917 45.674 ( 0.000 1.866 0.000) 1.866 46.009 ( 0.000 17.392 0.000) 17.392 46.865 ( 0.000 1.009 0.000) 1.009 47.207 ( 0.000 -0.659 0.000) 0.659 47.344 ( 0.000 -1.602 0.000) 1.602 47.359 ( 0.000 -3.033 0.000) 3.033 47.410 ( 0.000 -2.159 0.000) 2.159 ======================= Grid point 8 (6/60) ======================= q-point: ( 0.14 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 14.331 16.827 0.000) 22.103 0.677 ( 16.947 17.953 0.000) 24.688 1.138 ( 27.802 29.750 0.000) 40.719 1.866 ( 1.489 4.768 0.000) 4.995 1.904 ( 3.220 2.743 0.000) 4.230 2.064 ( 2.552 5.715 0.000) 6.258 2.180 ( -7.170 7.739 0.000) 10.550 2.248 ( 1.397 2.918 0.000) 3.235 2.488 ( -5.869 -1.574 0.000) 6.077 2.599 ( 2.115 -4.245 0.000) 4.742 2.670 ( -0.521 -0.273 0.000) 0.588 2.711 ( -2.217 -0.169 0.000) 2.224 2.731 ( 1.079 -2.885 0.000) 3.081 2.814 ( -3.994 0.705 0.000) 4.056 2.860 ( 3.166 1.998 0.000) 3.744 3.015 ( 1.088 -0.448 0.000) 1.176 3.087 ( -3.792 -0.238 0.000) 3.799 3.147 ( 0.080 -4.813 0.000) 4.814 3.195 ( 6.948 -3.316 0.000) 7.699 3.337 ( -0.491 -2.237 0.000) 2.290 3.444 ( 4.174 -0.594 0.000) 4.216 3.491 ( -1.216 0.083 0.000) 1.219 3.602 ( -0.681 -1.439 0.000) 1.592 3.647 ( 0.353 -0.824 0.000) 0.897 3.712 ( -3.249 3.107 0.000) 4.495 3.777 ( 2.656 1.541 0.000) 3.071 3.793 ( -1.928 3.516 0.000) 4.010 3.819 ( 1.910 1.455 0.000) 2.401 4.096 ( -6.779 7.552 0.000) 10.148 4.226 ( -2.568 -2.127 0.000) 3.334 4.231 ( -2.677 1.942 0.000) 3.308 4.309 ( -4.403 -0.994 0.000) 4.514 4.448 ( -2.314 -1.334 0.000) 2.671 4.581 ( -1.758 -1.668 0.000) 2.423 4.609 ( 2.130 -0.148 0.000) 2.135 4.700 ( 2.797 -8.246 0.000) 8.707 8.184 ( -1.487 14.949 0.000) 15.023 8.442 ( -4.755 9.070 0.000) 10.241 9.335 ( 7.139 1.479 0.000) 7.290 9.411 ( 10.571 12.438 0.000) 16.323 10.033 ( -2.791 -0.895 0.000) 2.931 10.239 ( -0.731 3.203 0.000) 3.285 10.391 ( -8.551 1.175 0.000) 8.631 10.414 ( -4.102 12.026 0.000) 12.706 10.857 ( 2.775 2.634 0.000) 3.826 11.088 ( 10.972 3.239 0.000) 11.440 11.244 ( 0.820 -4.234 0.000) 4.312 11.500 ( -2.230 7.697 0.000) 8.014 17.761 ( 5.810 2.694 0.000) 6.404 18.621 ( 1.625 -0.300 0.000) 1.652 18.623 ( -20.801 17.078 0.000) 26.914 18.854 ( -8.579 6.814 0.000) 10.956 19.146 ( -15.017 3.405 0.000) 15.398 19.245 ( -7.419 7.965 0.000) 10.886 19.434 ( -4.301 6.500 0.000) 7.794 20.057 ( -27.016 -0.646 0.000) 27.023 20.086 ( 22.645 1.791 0.000) 22.716 20.690 ( 9.524 -16.588 0.000) 19.128 20.835 ( 2.113 -3.386 0.000) 3.991 21.109 ( -2.626 2.407 0.000) 3.562 21.128 ( 10.062 -1.601 0.000) 10.189 21.233 ( 1.274 5.640 0.000) 5.782 21.388 ( 0.784 4.246 0.000) 4.318 21.440 ( 7.000 5.553 0.000) 8.935 21.446 ( -1.103 2.273 0.000) 2.527 21.842 ( 1.696 -2.962 0.000) 3.413 21.923 ( 2.216 -3.673 0.000) 4.290 22.192 ( 19.010 -21.774 0.000) 28.905 44.119 ( 0.883 1.312 0.000) 1.582 44.362 ( -2.757 -0.787 0.000) 2.867 44.611 ( 3.005 -4.153 0.000) 5.127 45.040 ( -3.958 -11.851 0.000) 12.494 45.087 ( 5.116 -9.165 0.000) 10.496 45.244 ( 0.319 -4.292 0.000) 4.304 45.301 ( 4.088 -2.646 0.000) 4.870 45.360 ( 0.651 5.379 0.000) 5.419 45.622 ( 0.130 5.961 0.000) 5.963 45.765 ( 7.697 5.886 0.000) 9.689 45.959 ( -3.720 17.093 0.000) 17.493 46.776 ( -7.875 6.923 0.000) 10.486 47.223 ( 1.940 -1.177 0.000) 2.270 47.330 ( -0.900 -2.129 0.000) 2.311 47.377 ( 1.348 -2.430 0.000) 2.778 47.406 ( -0.295 -2.143 0.000) 2.164 ======================= Grid point 9 (7/60) ======================= q-point: ( 0.29 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 20.476 7.430 0.000) 21.782 1.035 ( 20.205 11.288 0.000) 23.144 1.690 ( 29.271 19.946 0.000) 35.421 1.858 ( -3.640 4.994 0.000) 6.180 1.925 ( -8.390 1.757 0.000) 8.572 2.026 ( 0.848 6.747 0.000) 6.800 2.159 ( 4.507 6.451 0.000) 7.870 2.272 ( 0.861 4.290 0.000) 4.376 2.386 ( -3.875 -0.643 0.000) 3.928 2.618 ( -0.982 -5.880 0.000) 5.961 2.650 ( -1.441 -0.901 0.000) 1.699 2.691 ( -0.227 -0.246 0.000) 0.335 2.694 ( -3.580 0.343 0.000) 3.597 2.808 ( 2.119 2.765 0.000) 3.484 2.893 ( 0.520 2.859 0.000) 2.906 3.056 ( 3.237 -2.415 0.000) 4.038 3.068 ( 1.506 -2.150 0.000) 2.625 3.150 ( 0.406 -7.431 0.000) 7.442 3.271 ( -3.796 -6.085 0.000) 7.172 3.311 ( 1.852 -1.462 0.000) 2.360 3.454 ( -11.683 5.659 0.000) 12.981 3.469 ( -0.494 -2.211 0.000) 2.266 3.583 ( 7.991 0.293 0.000) 7.996 3.636 ( -0.119 1.680 0.000) 1.684 3.741 ( 4.057 -3.892 0.000) 5.622 3.781 ( -1.709 4.865 0.000) 5.157 3.787 ( 2.535 3.244 0.000) 4.117 3.921 ( 5.777 3.969 0.000) 7.009 4.045 ( 1.217 1.911 0.000) 2.266 4.166 ( -3.900 -1.825 0.000) 4.306 4.187 ( -7.057 1.015 0.000) 7.130 4.218 ( 0.019 -0.009 0.000) 0.021 4.389 ( -3.783 -0.358 0.000) 3.800 4.508 ( -5.758 -1.189 0.000) 5.880 4.645 ( 1.069 -1.028 0.000) 1.483 4.690 ( -2.291 -6.048 0.000) 6.467 8.167 ( 0.056 15.240 0.000) 15.240 8.344 ( -5.325 10.925 0.000) 12.154 9.499 ( 9.838 3.210 0.000) 10.349 9.649 ( 13.386 12.750 0.000) 18.486 9.977 ( -2.749 0.498 0.000) 2.794 10.216 ( -1.980 4.031 0.000) 4.491 10.236 ( -7.216 4.656 0.000) 8.588 10.316 ( -6.437 9.886 0.000) 11.797 10.957 ( 7.238 1.879 0.000) 7.478 11.257 ( 0.312 -3.804 0.000) 3.817 11.264 ( 7.278 -1.891 0.000) 7.520 11.441 ( -3.818 5.237 0.000) 6.481 17.914 ( 10.296 2.158 0.000) 10.520 18.424 ( -3.710 7.866 0.000) 8.697 18.656 ( 1.219 5.066 0.000) 5.210 18.676 ( -10.567 5.751 0.000) 12.031 18.885 ( -8.852 -1.142 0.000) 8.925 19.171 ( -2.454 6.821 0.000) 7.249 19.327 ( -6.826 3.829 0.000) 7.827 19.577 ( -23.744 2.240 0.000) 23.850 20.454 ( 16.274 -0.553 0.000) 16.283 20.788 ( 1.862 -12.109 0.000) 12.251 20.885 ( 3.100 -1.484 0.000) 3.437 21.063 ( -2.671 2.510 0.000) 3.665 21.250 ( 4.206 1.153 0.000) 4.362 21.294 ( 4.430 5.528 0.000) 7.084 21.401 ( 0.281 3.600 0.000) 3.611 21.417 ( -1.873 2.550 0.000) 3.164 21.607 ( 9.758 0.950 0.000) 9.805 21.863 ( 0.221 -1.872 0.000) 1.885 22.005 ( 6.414 -4.615 0.000) 7.902 22.342 ( 0.318 -12.931 0.000) 12.935 44.145 ( 1.852 1.016 0.000) 2.112 44.303 ( -3.389 -0.225 0.000) 3.396 44.677 ( 3.905 -5.727 0.000) 6.932 44.936 ( -5.641 -11.336 0.000) 12.663 45.175 ( 3.325 -7.821 0.000) 8.499 45.248 ( -0.012 -4.463 0.000) 4.463 45.358 ( 2.107 -0.054 0.000) 2.108 45.374 ( 0.773 5.442 0.000) 5.496 45.651 ( 2.948 5.255 0.000) 6.026 45.891 ( -3.725 12.924 0.000) 13.450 45.944 ( 11.216 7.037 0.000) 13.240 46.605 ( -10.278 8.409 0.000) 13.280 47.262 ( 1.838 -1.631 0.000) 2.458 47.314 ( -0.785 -2.169 0.000) 2.307 47.402 ( 1.162 -2.170 0.000) 2.462 47.405 ( 0.264 -2.036 0.000) 2.053 ======================= Grid point 10 (8/60) ======================= q-point: ( 0.43 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 19.482 4.597 0.000) 20.017 1.399 ( 18.327 7.626 0.000) 19.851 1.663 ( -16.722 3.948 0.000) 17.181 1.698 ( -13.030 5.706 0.000) 14.225 2.105 ( 4.316 3.979 0.000) 5.870 2.105 ( 9.308 9.009 0.000) 12.953 2.244 ( 3.981 7.074 0.000) 8.117 2.286 ( 0.189 6.780 0.000) 6.782 2.395 ( 7.671 2.854 0.000) 8.185 2.552 ( -5.870 -0.299 0.000) 5.878 2.631 ( -0.268 -2.255 0.000) 2.271 2.644 ( -1.667 -2.296 0.000) 2.837 2.734 ( 7.262 3.144 0.000) 7.913 2.847 ( 1.443 3.705 0.000) 3.977 2.890 ( -0.541 1.516 0.000) 1.610 3.037 ( -18.846 3.617 0.000) 19.190 3.108 ( 1.746 -3.420 0.000) 3.840 3.113 ( 1.151 -3.111 0.000) 3.317 3.178 ( 1.149 -7.385 0.000) 7.473 3.215 ( -2.367 -7.971 0.000) 8.315 3.438 ( 2.102 -2.916 0.000) 3.595 3.460 ( -0.638 -3.638 0.000) 3.694 3.666 ( 3.198 6.176 0.000) 6.954 3.732 ( -2.930 7.076 0.000) 7.659 3.734 ( 7.523 0.244 0.000) 7.527 3.813 ( 2.281 5.186 0.000) 5.665 3.851 ( 2.983 -6.549 0.000) 7.196 3.927 ( -3.572 1.801 0.000) 4.000 4.061 ( -3.941 0.397 0.000) 3.961 4.080 ( -3.716 -0.484 0.000) 3.748 4.172 ( 8.504 -0.940 0.000) 8.556 4.240 ( 1.383 0.531 0.000) 1.481 4.321 ( -2.795 1.244 0.000) 3.059 4.375 ( -7.968 0.277 0.000) 7.973 4.650 ( -0.209 -2.677 0.000) 2.685 4.654 ( -1.060 -4.469 0.000) 4.593 8.190 ( 2.417 14.846 0.000) 15.042 8.253 ( -4.253 13.237 0.000) 13.903 9.679 ( 9.020 5.286 0.000) 10.454 9.799 ( -1.351 8.816 0.000) 8.919 9.995 ( 7.678 6.838 0.000) 10.281 10.151 ( -1.359 3.514 0.000) 3.768 10.160 ( -5.684 9.612 0.000) 11.167 10.181 ( -5.919 3.521 0.000) 6.887 11.104 ( 7.952 2.822 0.000) 8.438 11.227 ( -4.447 1.155 0.000) 4.595 11.352 ( 2.512 -4.623 0.000) 5.261 11.382 ( -1.803 -2.009 0.000) 2.699 18.130 ( 12.433 1.116 0.000) 12.483 18.346 ( -8.825 -0.307 0.000) 8.831 18.538 ( -0.735 8.349 0.000) 8.382 18.604 ( -5.429 7.040 0.000) 8.891 18.899 ( 8.991 -0.941 0.000) 9.040 19.144 ( -15.235 -0.116 0.000) 15.235 19.162 ( 1.838 5.159 0.000) 5.477 19.247 ( -8.363 5.964 0.000) 10.271 20.683 ( 8.475 -3.470 0.000) 9.157 20.781 ( -2.546 -7.216 0.000) 7.652 20.946 ( 3.346 0.527 0.000) 3.388 21.008 ( -3.235 2.026 0.000) 3.817 21.318 ( 3.228 2.314 0.000) 3.972 21.363 ( 2.810 3.859 0.000) 4.774 21.372 ( -2.603 2.095 0.000) 3.342 21.398 ( -1.035 3.836 0.000) 3.973 21.764 ( 6.536 -1.036 0.000) 6.618 21.845 ( -2.368 -1.641 0.000) 2.881 22.143 ( 7.915 -5.246 0.000) 9.495 22.279 ( -6.084 -7.413 0.000) 9.590 44.187 ( 2.623 0.700 0.000) 2.715 44.241 ( -3.185 0.295 0.000) 3.199 44.753 ( 4.279 -7.638 0.000) 8.755 44.838 ( -4.876 -9.576 0.000) 10.746 45.220 ( 1.655 -5.980 0.000) 6.205 45.241 ( -0.714 -4.914 0.000) 4.966 45.383 ( 0.639 2.717 0.000) 2.791 45.385 ( 0.318 4.647 0.000) 4.658 45.724 ( 4.638 6.242 0.000) 7.777 45.813 ( -4.666 8.867 0.000) 10.020 46.168 ( 12.542 7.556 0.000) 14.642 46.398 ( -11.906 8.006 0.000) 14.348 47.286 ( 0.873 -1.876 0.000) 2.069 47.300 ( -0.715 -2.057 0.000) 2.177 47.414 ( 0.510 -1.923 0.000) 1.989 47.416 ( 0.348 -1.987 0.000) 2.017 ======================= Grid point 14 (9/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 23.878 0.000) 23.878 0.974 ( 0.000 23.776 0.000) 23.776 1.556 ( 0.000 36.110 0.000) 36.110 1.967 ( 0.000 6.197 0.000) 6.197 1.977 ( 0.000 8.407 0.000) 8.407 2.154 ( 0.000 5.933 0.000) 5.933 2.250 ( 0.000 0.048 0.000) 0.048 2.463 ( 0.000 11.739 0.000) 11.739 2.493 ( 0.000 -5.212 0.000) 5.212 2.512 ( 0.000 -4.149 0.000) 4.149 2.612 ( 0.000 -4.148 0.000) 4.148 2.760 ( 0.000 -1.837 0.000) 1.837 2.779 ( 0.000 7.402 0.000) 7.402 2.782 ( 0.000 -0.004 0.000) 0.004 2.879 ( 0.000 -0.646 0.000) 0.646 2.961 ( 0.000 -8.079 0.000) 8.079 2.995 ( 0.000 -1.852 0.000) 1.852 3.065 ( 0.000 -5.791 0.000) 5.791 3.074 ( 0.000 -5.860 0.000) 5.860 3.331 ( 0.000 -6.228 0.000) 6.228 3.404 ( 0.000 7.095 0.000) 7.095 3.494 ( 0.000 1.292 0.000) 1.292 3.560 ( 0.000 -0.335 0.000) 0.335 3.565 ( 0.000 -5.790 0.000) 5.790 3.727 ( 0.000 -2.645 0.000) 2.645 3.846 ( 0.000 2.124 0.000) 2.124 3.863 ( 0.000 3.591 0.000) 3.591 3.873 ( 0.000 3.917 0.000) 3.917 4.115 ( 0.000 -6.411 0.000) 6.411 4.262 ( 0.000 -2.532 0.000) 2.532 4.280 ( 0.000 -1.888 0.000) 1.888 4.338 ( 0.000 -0.429 0.000) 0.429 4.427 ( 0.000 -2.521 0.000) 2.521 4.523 ( 0.000 -4.160 0.000) 4.160 4.592 ( 0.000 1.611 0.000) 1.611 4.600 ( 0.000 2.302 0.000) 2.302 8.573 ( 0.000 21.473 0.000) 21.473 8.687 ( 0.000 10.603 0.000) 10.603 9.260 ( 0.000 -1.324 0.000) 1.324 9.588 ( 0.000 13.617 0.000) 13.617 10.046 ( 0.000 0.990 0.000) 0.990 10.342 ( 0.000 7.408 0.000) 7.408 10.424 ( 0.000 -1.164 0.000) 1.164 10.792 ( 0.000 20.099 0.000) 20.099 10.959 ( 0.000 4.868 0.000) 4.868 11.095 ( 0.000 7.508 0.000) 7.508 11.178 ( 0.000 -2.522 0.000) 2.522 11.685 ( 0.000 7.857 0.000) 7.857 17.787 ( 0.000 5.390 0.000) 5.390 18.540 ( 0.000 -5.104 0.000) 5.104 18.900 ( 0.000 2.094 0.000) 2.094 19.221 ( 0.000 3.907 0.000) 3.907 19.481 ( 0.000 15.347 0.000) 15.347 19.615 ( 0.000 6.197 0.000) 6.197 19.664 ( 0.000 9.194 0.000) 9.194 19.832 ( 0.000 7.849 0.000) 7.849 20.198 ( 0.000 -10.128 0.000) 10.128 20.318 ( 0.000 -13.335 0.000) 13.335 20.699 ( 0.000 -7.271 0.000) 7.271 20.875 ( 0.000 -1.461 0.000) 1.461 21.202 ( 0.000 2.287 0.000) 2.287 21.293 ( 0.000 4.611 0.000) 4.611 21.471 ( 0.000 3.776 0.000) 3.776 21.520 ( 0.000 4.036 0.000) 4.036 21.524 ( 0.000 6.122 0.000) 6.122 21.730 ( 0.000 -4.637 0.000) 4.637 21.750 ( 0.000 -2.084 0.000) 2.084 21.821 ( 0.000 -5.808 0.000) 5.808 44.153 ( 0.000 2.735 0.000) 2.735 44.369 ( 0.000 -1.017 0.000) 1.017 44.504 ( 0.000 -3.762 0.000) 3.762 44.830 ( 0.000 -13.843 0.000) 13.843 44.977 ( 0.000 0.892 0.000) 0.892 45.189 ( 0.000 -0.855 0.000) 0.855 45.198 ( 0.000 -2.440 0.000) 2.440 45.433 ( 0.000 1.751 0.000) 1.751 45.759 ( 0.000 7.239 0.000) 7.239 45.839 ( 0.000 9.921 0.000) 9.921 46.342 ( 0.000 15.928 0.000) 15.928 46.892 ( 0.000 1.671 0.000) 1.671 47.188 ( 0.000 -1.306 0.000) 1.306 47.281 ( 0.000 -4.513 0.000) 4.513 47.299 ( 0.000 -2.956 0.000) 2.956 47.351 ( 0.000 -3.658 0.000) 3.658 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.14 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 4.963 22.169 0.000) 22.717 1.072 ( 10.230 21.286 0.000) 23.617 1.755 ( 18.569 31.573 0.000) 36.629 1.981 ( 1.073 4.886 0.000) 5.003 1.997 ( 1.549 8.352 0.000) 8.494 2.189 ( 3.362 6.096 0.000) 6.962 2.269 ( 2.116 -0.288 0.000) 2.136 2.361 ( -7.966 9.590 0.000) 12.467 2.464 ( -4.821 -1.651 0.000) 5.096 2.492 ( -0.118 -6.003 0.000) 6.004 2.685 ( 4.455 -1.356 0.000) 4.657 2.700 ( -2.279 -1.136 0.000) 2.547 2.753 ( -2.358 7.273 0.000) 7.646 2.821 ( -1.428 0.104 0.000) 1.432 2.848 ( 3.072 -2.930 0.000) 4.245 2.993 ( -0.171 -2.034 0.000) 2.041 3.035 ( -0.819 -6.257 0.000) 6.310 3.050 ( -1.655 -3.320 0.000) 3.709 3.096 ( 7.710 -6.336 0.000) 9.979 3.269 ( -3.877 -4.425 0.000) 5.883 3.476 ( 1.056 2.185 0.000) 2.427 3.517 ( 3.100 4.040 0.000) 5.092 3.538 ( 0.096 -4.336 0.000) 4.338 3.617 ( 3.002 -2.201 0.000) 3.722 3.740 ( 2.693 -3.423 0.000) 4.356 3.809 ( -4.318 5.363 0.000) 6.885 3.843 ( 1.069 0.529 0.000) 1.193 3.872 ( -1.865 4.051 0.000) 4.459 4.098 ( -1.705 -5.370 0.000) 5.634 4.217 ( -3.614 -3.168 0.000) 4.805 4.227 ( -3.591 0.670 0.000) 3.653 4.302 ( -3.488 0.122 0.000) 3.490 4.416 ( -1.161 -1.597 0.000) 1.974 4.565 ( 2.022 -5.852 0.000) 6.192 4.570 ( -1.998 1.409 0.000) 2.444 4.624 ( 1.310 1.441 0.000) 1.947 8.563 ( -0.656 22.259 0.000) 22.268 8.660 ( -2.337 12.222 0.000) 12.443 9.348 ( 8.728 -0.606 0.000) 8.749 9.700 ( 11.151 13.766 0.000) 17.716 10.028 ( -1.566 2.166 0.000) 2.673 10.336 ( -0.795 7.047 0.000) 7.092 10.410 ( -2.058 0.893 0.000) 2.244 10.735 ( -5.591 19.607 0.000) 20.388 10.931 ( -0.301 4.626 0.000) 4.636 11.160 ( 4.649 3.462 0.000) 5.797 11.179 ( 0.122 -2.825 0.000) 2.828 11.650 ( -3.750 7.092 0.000) 8.022 17.839 ( 5.395 5.180 0.000) 7.479 18.578 ( 4.050 -4.406 0.000) 5.985 18.774 ( -12.509 3.834 0.000) 13.084 19.040 ( -12.707 8.950 0.000) 15.542 19.271 ( -19.457 9.009 0.000) 21.442 19.444 ( -6.250 11.808 0.000) 13.360 19.565 ( -8.757 4.614 0.000) 9.898 20.030 ( -20.410 -0.812 0.000) 20.426 20.153 ( 19.912 5.224 0.000) 20.586 20.385 ( 11.985 -13.200 0.000) 17.829 20.749 ( 4.901 -4.993 0.000) 6.996 21.060 ( 11.353 -4.412 0.000) 12.181 21.181 ( -0.473 4.405 0.000) 4.431 21.325 ( 2.576 3.801 0.000) 4.591 21.467 ( -0.720 2.275 0.000) 2.387 21.515 ( -0.343 4.923 0.000) 4.935 21.545 ( 2.552 4.474 0.000) 5.150 21.771 ( 3.955 -3.639 0.000) 5.375 21.822 ( 0.391 -6.458 0.000) 6.470 21.911 ( 12.800 -8.938 0.000) 15.611 44.159 ( 0.650 2.681 0.000) 2.759 44.347 ( -2.054 -0.567 0.000) 2.131 44.523 ( 1.719 -4.392 0.000) 4.716 44.790 ( -3.748 -12.411 0.000) 12.964 45.005 ( 2.941 -0.938 0.000) 3.087 45.188 ( -0.141 -1.156 0.000) 1.164 45.250 ( 4.499 -2.829 0.000) 5.315 45.437 ( 0.349 1.443 0.000) 1.485 45.758 ( 0.861 8.766 0.000) 8.808 45.922 ( 7.670 8.806 0.000) 11.678 46.287 ( -5.244 15.883 0.000) 16.726 46.861 ( -3.991 2.615 0.000) 4.772 47.197 ( 1.189 -1.422 0.000) 1.854 47.269 ( -0.749 -3.831 0.000) 3.903 47.318 ( 1.449 -3.470 0.000) 3.760 47.349 ( -0.197 -3.611 0.000) 3.616 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.29 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 13.305 15.571 0.000) 20.481 1.316 ( 14.955 16.441 0.000) 22.225 1.957 ( -5.980 2.027 0.000) 6.314 1.992 ( -3.408 8.503 0.000) 9.161 2.144 ( 20.271 24.004 0.000) 31.418 2.213 ( -1.719 10.995 0.000) 11.129 2.299 ( 4.313 6.890 0.000) 8.128 2.328 ( 4.224 0.374 0.000) 4.240 2.378 ( -2.711 0.701 0.000) 2.800 2.489 ( -0.284 -6.835 0.000) 6.841 2.671 ( -2.251 1.184 0.000) 2.543 2.707 ( -1.619 0.860 0.000) 1.833 2.708 ( -0.697 3.579 0.000) 3.646 2.852 ( 2.718 1.433 0.000) 3.073 2.893 ( 1.791 -3.565 0.000) 3.989 2.999 ( 1.211 -3.698 0.000) 3.891 3.017 ( 0.017 -5.083 0.000) 5.083 3.031 ( -0.365 -1.977 0.000) 2.010 3.200 ( -3.594 -1.411 0.000) 3.861 3.228 ( 4.944 -6.441 0.000) 8.120 3.421 ( -3.873 -1.884 0.000) 4.307 3.547 ( -3.968 0.983 0.000) 4.088 3.605 ( 5.226 2.074 0.000) 5.622 3.653 ( -1.466 -2.576 0.000) 2.964 3.683 ( -1.513 3.418 0.000) 3.738 3.777 ( 0.091 -2.695 0.000) 2.697 3.876 ( 2.916 4.377 0.000) 5.259 3.948 ( 9.389 -1.518 0.000) 9.510 4.055 ( -2.981 -4.082 0.000) 5.055 4.133 ( -6.215 -3.834 0.000) 7.302 4.169 ( -3.063 2.441 0.000) 3.916 4.247 ( -1.555 0.069 0.000) 1.556 4.388 ( -1.707 0.645 0.000) 1.824 4.510 ( -4.489 1.930 0.000) 4.886 4.569 ( -0.998 -5.506 0.000) 5.596 4.631 ( -0.760 -0.240 0.000) 0.797 8.561 ( 0.552 23.657 0.000) 23.664 8.621 ( -1.670 16.216 0.000) 16.302 9.552 ( 12.317 1.295 0.000) 12.385 9.948 ( 12.989 9.533 0.000) 16.112 10.004 ( 0.109 8.916 0.000) 8.917 10.307 ( -2.433 6.084 0.000) 6.552 10.336 ( -5.300 4.832 0.000) 7.172 10.607 ( -7.716 18.316 0.000) 19.875 10.994 ( 6.916 1.404 0.000) 7.057 11.184 ( 0.568 -3.782 0.000) 3.824 11.225 ( 1.938 -1.665 0.000) 2.555 11.545 ( -7.583 4.920 0.000) 9.039 17.979 ( 9.392 4.530 0.000) 10.428 18.546 ( -10.233 4.908 0.000) 11.349 18.692 ( 8.150 -3.218 0.000) 8.763 18.830 ( -10.011 8.436 0.000) 13.091 18.951 ( -14.035 8.849 0.000) 16.592 19.330 ( -5.189 8.637 0.000) 10.076 19.371 ( -11.604 -0.264 0.000) 11.607 19.657 ( -18.422 5.407 0.000) 19.199 20.467 ( 13.184 2.444 0.000) 13.408 20.573 ( 7.592 -8.186 0.000) 11.165 20.858 ( 6.218 -0.932 0.000) 6.287 21.115 ( -2.241 2.546 0.000) 3.392 21.274 ( 6.997 0.949 0.000) 7.061 21.377 ( 2.745 2.736 0.000) 3.876 21.442 ( -1.832 0.497 0.000) 1.898 21.509 ( -0.555 5.613 0.000) 5.641 21.625 ( 5.783 0.780 0.000) 5.835 21.810 ( -0.004 -3.925 0.000) 3.925 21.890 ( 6.671 -5.918 0.000) 8.918 22.091 ( 5.252 -11.372 0.000) 12.526 44.178 ( 1.430 2.364 0.000) 2.763 44.302 ( -2.606 0.273 0.000) 2.621 44.560 ( 2.129 -5.724 0.000) 6.107 44.715 ( -3.882 -10.462 0.000) 11.159 45.069 ( 3.477 -2.748 0.000) 4.431 45.181 ( -0.626 -1.797 0.000) 1.902 45.334 ( 4.172 -2.270 0.000) 4.750 45.442 ( 0.054 0.824 0.000) 0.826 45.803 ( 3.998 10.148 0.000) 10.907 46.101 ( 11.203 8.059 0.000) 13.800 46.170 ( -7.008 14.598 0.000) 16.193 46.739 ( -8.798 4.735 0.000) 9.991 47.225 ( 1.305 -2.057 0.000) 2.436 47.258 ( -0.528 -3.359 0.000) 3.400 47.345 ( 1.344 -3.484 0.000) 3.734 47.350 ( 0.482 -3.403 0.000) 3.437 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.43 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.460 ( 15.797 9.329 0.000) 18.346 1.596 ( 13.858 11.727 0.000) 18.154 1.755 ( -13.308 5.651 0.000) 14.458 1.852 ( -11.036 9.614 0.000) 14.637 2.241 ( 3.462 9.458 0.000) 10.071 2.296 ( -1.428 9.369 0.000) 9.477 2.386 ( 2.391 -1.255 0.000) 2.700 2.387 ( 3.273 5.384 0.000) 6.301 2.479 ( 5.222 7.157 0.000) 8.860 2.486 ( 0.425 -4.716 0.000) 4.735 2.620 ( -1.309 2.088 0.000) 2.464 2.653 ( -3.508 2.176 0.000) 4.128 2.814 ( 13.233 5.109 0.000) 14.185 2.887 ( 1.304 -0.415 0.000) 1.369 2.911 ( 0.367 -0.462 0.000) 0.590 2.997 ( -1.516 -5.753 0.000) 5.949 3.036 ( 1.037 -3.394 0.000) 3.549 3.062 ( 2.501 -0.783 0.000) 2.621 3.141 ( -2.510 1.416 0.000) 2.882 3.210 ( -11.198 5.930 0.000) 12.671 3.360 ( -3.827 -2.156 0.000) 4.393 3.367 ( -1.931 -5.499 0.000) 5.828 3.689 ( 2.526 -6.309 0.000) 6.796 3.699 ( 3.397 -3.891 0.000) 5.165 3.754 ( 4.749 -0.171 0.000) 4.752 3.768 ( 0.194 -0.054 0.000) 0.201 3.946 ( 2.428 6.313 0.000) 6.763 3.985 ( -3.949 -1.092 0.000) 4.097 4.022 ( -2.212 -3.504 0.000) 4.144 4.088 ( -4.143 2.676 0.000) 4.932 4.131 ( 7.238 -3.463 0.000) 8.024 4.225 ( -2.007 -2.699 0.000) 3.364 4.365 ( -0.090 3.303 0.000) 3.304 4.413 ( -5.082 3.677 0.000) 6.273 4.563 ( 0.981 -3.940 0.000) 4.060 4.599 ( -2.318 -1.987 0.000) 3.053 8.578 ( 1.075 23.536 0.000) 23.561 8.597 ( -0.997 20.704 0.000) 20.728 9.779 ( 11.432 3.672 0.000) 12.008 9.945 ( -5.473 4.315 0.000) 6.969 10.179 ( 6.292 9.752 0.000) 11.606 10.247 ( -3.636 5.141 0.000) 6.297 10.290 ( 4.548 12.189 0.000) 13.009 10.451 ( -9.129 17.354 0.000) 19.609 11.165 ( 10.521 1.903 0.000) 10.691 11.204 ( 1.449 -4.381 0.000) 4.615 11.233 ( -0.568 -6.099 0.000) 6.126 11.373 ( -10.534 1.650 0.000) 10.663 18.174 ( 11.121 3.524 0.000) 11.666 18.373 ( -9.700 2.909 0.000) 10.126 18.701 ( -2.538 7.337 0.000) 7.764 18.743 ( -6.258 4.048 0.000) 7.453 18.896 ( 11.723 2.809 0.000) 12.055 19.139 ( -13.350 -0.238 0.000) 13.352 19.284 ( 0.864 6.365 0.000) 6.423 19.382 ( -10.180 6.728 0.000) 12.202 20.635 ( 5.030 -0.309 0.000) 5.040 20.662 ( 1.855 -3.524 0.000) 3.983 20.968 ( 5.432 1.961 0.000) 5.775 21.056 ( -3.981 3.060 0.000) 5.021 21.366 ( 2.923 1.634 0.000) 3.348 21.406 ( -1.911 0.468 0.000) 1.967 21.431 ( 3.227 2.609 0.000) 4.149 21.484 ( -2.202 4.492 0.000) 5.003 21.732 ( 4.945 -2.153 0.000) 5.394 21.795 ( -1.868 -3.619 0.000) 4.073 22.019 ( 6.525 -6.460 0.000) 9.182 22.109 ( -2.598 -8.758 0.000) 9.135 44.211 ( 2.085 1.811 0.000) 2.762 44.254 ( -2.508 1.101 0.000) 2.739 44.601 ( 2.388 -7.256 0.000) 7.639 44.651 ( -3.020 -8.828 0.000) 9.331 45.126 ( 2.515 -2.915 0.000) 3.850 45.162 ( -1.462 -2.444 0.000) 2.848 45.399 ( 2.711 -1.019 0.000) 2.896 45.434 ( -1.088 0.074 0.000) 1.090 45.902 ( 6.438 11.290 0.000) 12.996 46.034 ( -7.453 12.737 0.000) 14.757 46.324 ( 12.328 7.296 0.000) 14.325 46.547 ( -11.430 6.284 0.000) 13.044 47.241 ( 0.541 -2.548 0.000) 2.605 47.249 ( -0.424 -2.922 0.000) 2.953 47.362 ( 0.540 -3.255 0.000) 3.299 47.363 ( 0.510 -3.343 0.000) 3.382 ======================= Grid point 21 (13/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( 0.000 21.454 0.000) 21.454 1.418 ( 0.000 21.574 0.000) 21.574 2.104 ( 0.000 7.577 0.000) 7.577 2.140 ( 0.000 12.007 0.000) 12.007 2.213 ( 0.000 25.378 0.000) 25.378 2.223 ( 0.000 -0.878 0.000) 0.878 2.268 ( 0.000 2.275 0.000) 2.275 2.387 ( 0.000 -8.488 0.000) 8.488 2.396 ( 0.000 -3.353 0.000) 3.353 2.556 ( 0.000 -1.226 0.000) 1.226 2.679 ( 0.000 -5.145 0.000) 5.145 2.684 ( 0.000 9.478 0.000) 9.478 2.748 ( 0.000 -3.544 0.000) 3.544 2.808 ( 0.000 -6.244 0.000) 6.244 2.850 ( 0.000 -2.819 0.000) 2.819 2.941 ( 0.000 6.933 0.000) 6.933 2.943 ( 0.000 -6.456 0.000) 6.456 2.948 ( 0.000 -1.745 0.000) 1.745 3.001 ( 0.000 -0.460 0.000) 0.460 3.254 ( 0.000 -1.285 0.000) 1.285 3.366 ( 0.000 -7.998 0.000) 7.998 3.441 ( 0.000 -6.133 0.000) 6.133 3.536 ( 0.000 -3.374 0.000) 3.374 3.604 ( 0.000 2.425 0.000) 2.425 3.704 ( 0.000 2.485 0.000) 2.485 3.867 ( 0.000 0.100 0.000) 0.100 3.894 ( 0.000 0.496 0.000) 0.496 3.935 ( 0.000 2.109 0.000) 2.109 4.005 ( 0.000 -3.184 0.000) 3.184 4.235 ( 0.000 0.648 0.000) 0.648 4.254 ( 0.000 -0.371 0.000) 0.371 4.327 ( 0.000 -0.749 0.000) 0.749 4.370 ( 0.000 -3.667 0.000) 3.667 4.416 ( 0.000 -6.420 0.000) 6.420 4.647 ( 0.000 3.018 0.000) 3.018 4.650 ( 0.000 2.486 0.000) 2.486 8.877 ( 0.000 8.403 0.000) 8.403 8.982 ( 0.000 19.217 0.000) 19.217 9.208 ( 0.000 -3.804 0.000) 3.804 9.684 ( 0.000 -3.781 0.000) 3.781 10.204 ( 0.000 14.108 0.000) 14.108 10.447 ( 0.000 3.208 0.000) 3.208 10.532 ( 0.000 11.573 0.000) 11.573 11.044 ( 0.000 3.499 0.000) 3.499 11.112 ( 0.000 -4.704 0.000) 4.704 11.188 ( 0.000 1.667 0.000) 1.667 11.203 ( 0.000 20.781 0.000) 20.781 11.797 ( 0.000 2.840 0.000) 2.840 17.913 ( 0.000 7.347 0.000) 7.347 18.410 ( 0.000 -7.929 0.000) 7.929 18.965 ( 0.000 4.783 0.000) 4.783 19.295 ( 0.000 2.606 0.000) 2.606 19.706 ( 0.000 -5.117 0.000) 5.117 19.757 ( 0.000 8.268 0.000) 8.268 19.811 ( 0.000 17.487 0.000) 17.487 19.988 ( 0.000 6.705 0.000) 6.705 19.993 ( 0.000 -10.552 0.000) 10.552 20.253 ( 0.000 7.744 0.000) 7.744 20.541 ( 0.000 -8.531 0.000) 8.531 20.814 ( 0.000 -4.838 0.000) 4.838 21.261 ( 0.000 3.747 0.000) 3.747 21.378 ( 0.000 3.544 0.000) 3.544 21.475 ( 0.000 -3.099 0.000) 3.099 21.603 ( 0.000 3.569 0.000) 3.569 21.609 ( 0.000 2.635 0.000) 2.635 21.687 ( 0.000 -7.128 0.000) 7.128 21.695 ( 0.000 1.068 0.000) 1.068 21.697 ( 0.000 -3.115 0.000) 3.115 44.218 ( 0.000 3.907 0.000) 3.907 44.358 ( 0.000 -0.054 0.000) 0.054 44.439 ( 0.000 -2.819 0.000) 2.819 44.596 ( 0.000 -10.186 0.000) 10.186 45.001 ( 0.000 1.543 0.000) 1.543 45.144 ( 0.000 -2.914 0.000) 2.914 45.204 ( 0.000 2.269 0.000) 2.269 45.421 ( 0.000 -2.488 0.000) 2.488 45.928 ( 0.000 8.832 0.000) 8.832 46.008 ( 0.000 6.914 0.000) 6.914 46.617 ( 0.000 12.081 0.000) 12.081 46.923 ( 0.000 1.125 0.000) 1.125 47.160 ( 0.000 -1.371 0.000) 1.371 47.197 ( 0.000 -3.673 0.000) 3.673 47.233 ( 0.000 -3.563 0.000) 3.563 47.273 ( 0.000 -4.151 0.000) 4.151 ======================= Grid point 22 (14/60) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.432 ( 2.205 21.220 0.000) 21.334 1.482 ( 6.583 20.065 0.000) 21.117 2.081 ( -2.390 4.733 0.000) 5.303 2.168 ( 1.974 8.669 0.000) 8.891 2.264 ( 3.837 0.153 0.000) 3.840 2.265 ( 0.086 1.809 0.000) 1.811 2.328 ( 10.385 20.781 0.000) 23.231 2.376 ( -1.457 -3.766 0.000) 4.038 2.402 ( 2.104 -2.412 0.000) 3.201 2.531 ( -2.738 6.209 0.000) 6.786 2.656 ( -1.448 -3.397 0.000) 3.692 2.704 ( 1.497 3.894 0.000) 4.172 2.765 ( 1.529 -4.242 0.000) 4.509 2.802 ( 2.098 -2.648 0.000) 3.379 2.882 ( -4.673 4.971 0.000) 6.823 2.914 ( 0.598 -5.692 0.000) 5.724 2.941 ( 0.989 -4.681 0.000) 4.784 2.976 ( 4.972 -3.291 0.000) 5.962 3.012 ( 0.000 0.159 0.000) 0.159 3.204 ( -2.628 -1.617 0.000) 3.086 3.435 ( 3.373 -5.439 0.000) 6.400 3.442 ( 0.476 -5.091 0.000) 5.113 3.557 ( 2.137 -4.404 0.000) 4.895 3.644 ( 2.976 3.174 0.000) 4.352 3.687 ( -1.204 0.035 0.000) 1.205 3.840 ( -0.859 0.190 0.000) 0.879 3.886 ( -0.615 2.431 0.000) 2.508 3.935 ( -1.101 2.108 0.000) 2.378 3.984 ( -2.010 -4.668 0.000) 5.083 4.178 ( -5.235 0.323 0.000) 5.245 4.214 ( -2.556 -1.739 0.000) 3.092 4.294 ( -3.383 -0.980 0.000) 3.522 4.389 ( 1.308 -1.298 0.000) 1.843 4.457 ( 2.780 -5.219 0.000) 5.913 4.621 ( -2.034 3.000 0.000) 3.625 4.657 ( -0.209 1.712 0.000) 1.724 8.887 ( 1.412 10.469 0.000) 10.564 8.996 ( 1.648 20.871 0.000) 20.936 9.303 ( 9.453 -3.957 0.000) 10.248 9.778 ( 8.762 -4.687 0.000) 9.937 10.224 ( 2.663 15.119 0.000) 15.351 10.446 ( -0.528 3.049 0.000) 3.095 10.516 ( -1.739 11.123 0.000) 11.258 11.015 ( -2.117 3.544 0.000) 4.128 11.076 ( -4.205 1.751 0.000) 4.555 11.170 ( -2.852 13.743 0.000) 14.036 11.198 ( 0.559 -0.051 0.000) 0.562 11.749 ( -5.139 2.267 0.000) 5.617 17.960 ( 4.989 7.188 0.000) 8.750 18.454 ( 4.683 -7.805 0.000) 9.102 18.856 ( -10.473 5.066 0.000) 11.634 19.167 ( -11.223 3.300 0.000) 11.698 19.470 ( -19.327 10.607 0.000) 22.047 19.564 ( -11.105 -2.534 0.000) 11.390 19.666 ( -10.852 9.454 0.000) 14.392 19.965 ( -10.254 -9.014 0.000) 13.653 20.284 ( 17.921 7.791 0.000) 19.541 20.314 ( 10.887 8.157 0.000) 13.604 20.658 ( 10.369 -3.998 0.000) 11.113 20.952 ( 11.203 -6.819 0.000) 13.115 21.273 ( 0.814 4.760 0.000) 4.829 21.385 ( 0.754 2.249 0.000) 2.372 21.453 ( -2.048 -3.080 0.000) 3.698 21.610 ( 0.749 2.327 0.000) 2.444 21.618 ( 0.512 5.056 0.000) 5.082 21.669 ( 0.044 -8.230 0.000) 8.230 21.742 ( 3.830 0.031 0.000) 3.830 21.782 ( 7.476 -5.109 0.000) 9.055 44.222 ( 0.444 3.775 0.000) 3.801 44.345 ( -1.276 0.348 0.000) 1.322 44.447 ( 0.717 -3.280 0.000) 3.357 44.576 ( -1.894 -9.395 0.000) 9.584 45.015 ( 1.669 1.558 0.000) 2.283 45.188 ( 4.115 -3.381 0.000) 5.326 45.199 ( -0.561 2.155 0.000) 2.227 45.420 ( -0.052 -2.633 0.000) 2.633 45.946 ( 2.251 9.552 0.000) 9.813 46.073 ( 6.477 6.107 0.000) 8.902 46.566 ( -5.229 12.431 0.000) 13.486 46.893 ( -3.452 0.654 0.000) 3.514 47.170 ( 1.024 -1.218 0.000) 1.592 47.196 ( -0.072 -3.249 0.000) 3.250 47.246 ( 1.193 -3.759 0.000) 3.943 47.272 ( -0.041 -4.076 0.000) 4.076 ======================= Grid point 23 (15/60) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 7.012 18.126 0.000) 19.435 1.645 ( 10.308 16.455 0.000) 19.417 2.010 ( -5.465 3.247 0.000) 6.357 2.171 ( -3.182 9.372 0.000) 9.898 2.268 ( 1.185 -3.900 0.000) 4.076 2.331 ( 1.364 -3.634 0.000) 3.881 2.381 ( 3.757 -0.299 0.000) 3.769 2.412 ( 2.376 1.467 0.000) 2.793 2.476 ( -2.293 11.395 0.000) 11.624 2.575 ( 7.866 13.100 0.000) 15.280 2.648 ( 1.331 -2.622 0.000) 2.941 2.729 ( 0.082 1.438 0.000) 1.441 2.797 ( -3.369 1.949 0.000) 3.892 2.825 ( 6.858 3.609 0.000) 7.750 2.829 ( -0.027 -3.804 0.000) 3.804 2.903 ( 0.083 -3.827 0.000) 3.828 2.993 ( 4.419 -0.104 0.000) 4.420 3.004 ( -0.611 -0.660 0.000) 0.900 3.088 ( 5.548 -7.134 0.000) 9.037 3.179 ( -0.034 -0.605 0.000) 0.606 3.410 ( -5.932 0.111 0.000) 5.933 3.475 ( 3.119 -4.896 0.000) 5.805 3.612 ( 3.406 -3.447 0.000) 4.846 3.645 ( -0.212 1.270 0.000) 1.288 3.712 ( 1.659 -4.273 0.000) 4.584 3.794 ( -10.167 6.528 0.000) 12.083 3.906 ( 6.894 -1.906 0.000) 7.153 3.935 ( 2.213 1.363 0.000) 2.599 3.940 ( -2.063 -5.586 0.000) 5.955 4.082 ( -4.854 -0.619 0.000) 4.893 4.176 ( -1.941 -1.832 0.000) 2.669 4.220 ( -3.899 -2.276 0.000) 4.514 4.413 ( 1.229 1.461 0.000) 1.910 4.488 ( 0.818 -2.798 0.000) 2.915 4.568 ( -3.690 3.210 0.000) 4.891 4.635 ( -2.252 0.454 0.000) 2.298 8.937 ( 3.904 15.426 0.000) 15.912 9.038 ( 2.378 23.927 0.000) 24.045 9.528 ( 13.953 -3.818 0.000) 14.466 9.933 ( 5.932 -4.561 0.000) 7.483 10.330 ( 8.105 15.462 0.000) 17.458 10.416 ( -1.581 3.831 0.000) 4.144 10.465 ( -3.752 10.019 0.000) 10.698 10.956 ( -8.252 12.065 0.000) 14.617 11.006 ( 1.793 0.313 0.000) 1.820 11.122 ( -2.154 1.083 0.000) 2.411 11.200 ( -0.100 -1.437 0.000) 1.441 11.609 ( -9.658 1.032 0.000) 9.713 18.090 ( 8.590 6.709 0.000) 10.899 18.575 ( 7.689 -7.788 0.000) 10.944 18.644 ( -11.023 5.506 0.000) 12.321 18.948 ( -11.338 2.222 0.000) 11.554 19.162 ( -12.693 11.312 0.000) 17.002 19.354 ( -10.987 0.481 0.000) 10.997 19.469 ( -8.927 4.528 0.000) 10.010 19.706 ( -15.055 -2.086 0.000) 15.199 20.538 ( 10.972 5.419 0.000) 12.237 20.561 ( 11.432 7.227 0.000) 13.524 20.860 ( 10.435 1.108 0.000) 10.493 21.128 ( 5.508 -2.826 0.000) 6.191 21.287 ( 1.796 1.144 0.000) 2.130 21.402 ( 0.850 -0.052 0.000) 0.851 21.408 ( -2.515 -3.573 0.000) 4.370 21.590 ( -2.961 -0.968 0.000) 3.115 21.648 ( 3.275 2.050 0.000) 3.864 21.703 ( 2.536 -2.716 0.000) 3.716 21.831 ( 5.372 -0.899 0.000) 5.447 21.915 ( 5.582 -6.891 0.000) 8.868 44.235 ( 0.916 3.360 0.000) 3.482 44.316 ( -1.701 1.128 0.000) 2.041 44.462 ( 0.813 -4.238 0.000) 4.316 44.536 ( -2.150 -7.870 0.000) 8.158 45.060 ( 2.898 1.446 0.000) 3.239 45.183 ( -1.137 1.924 0.000) 2.235 45.274 ( 4.687 -3.705 0.000) 5.975 45.417 ( -0.422 -2.955 0.000) 2.985 46.015 ( 5.074 10.632 0.000) 11.781 46.230 ( 9.944 4.619 0.000) 10.965 46.439 ( -8.007 12.507 0.000) 14.850 46.791 ( -7.406 0.712 0.000) 7.441 47.189 ( 0.801 -1.371 0.000) 1.588 47.197 ( 0.126 -2.526 0.000) 2.529 47.271 ( 1.374 -3.891 0.000) 4.126 47.278 ( 0.747 -3.818 0.000) 3.890 ======================= Grid point 24 (16/60) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 9.482 12.457 0.000) 15.655 1.814 ( 1.662 9.462 0.000) 9.607 1.907 ( 0.378 10.217 0.000) 10.224 2.053 ( -8.587 10.174 0.000) 13.314 2.304 ( 1.971 -5.109 0.000) 5.476 2.330 ( -0.783 -5.554 0.000) 5.609 2.457 ( 1.491 6.052 0.000) 6.233 2.457 ( 0.780 7.983 0.000) 8.021 2.484 ( 5.300 2.992 0.000) 6.086 2.574 ( -3.635 1.453 0.000) 3.915 2.660 ( -0.413 1.413 0.000) 1.472 2.691 ( -3.165 1.377 0.000) 3.452 2.787 ( 1.359 -5.131 0.000) 5.308 2.814 ( -1.298 -5.790 0.000) 5.934 2.934 ( 2.629 -0.507 0.000) 2.677 2.979 ( -1.699 1.509 0.000) 2.272 3.043 ( 9.894 6.069 0.000) 11.607 3.077 ( 3.455 0.791 0.000) 3.545 3.173 ( 4.192 -5.983 0.000) 7.306 3.227 ( 7.538 3.555 0.000) 8.335 3.278 ( -6.802 0.588 0.000) 6.827 3.479 ( -12.808 8.932 0.000) 15.615 3.568 ( 1.277 -3.369 0.000) 3.603 3.624 ( -2.473 -2.853 0.000) 3.776 3.728 ( 3.694 -3.050 0.000) 4.790 3.752 ( 1.927 -2.166 0.000) 2.899 3.896 ( -0.739 -6.861 0.000) 6.901 3.945 ( -4.075 -4.112 0.000) 5.789 4.036 ( 3.024 2.832 0.000) 4.143 4.055 ( 6.770 -3.055 0.000) 7.427 4.121 ( -3.980 -0.084 0.000) 3.981 4.155 ( -3.658 -3.643 0.000) 5.163 4.437 ( 1.733 3.425 0.000) 3.838 4.492 ( -4.021 3.743 0.000) 5.493 4.516 ( 2.631 -1.075 0.000) 2.843 4.578 ( -3.583 -0.380 0.000) 3.603 9.016 ( 3.878 21.031 0.000) 21.386 9.060 ( -0.527 24.569 0.000) 24.575 9.788 ( 12.920 -3.156 0.000) 13.300 9.959 ( -4.006 -3.034 0.000) 5.025 10.340 ( -0.802 7.707 0.000) 7.748 10.384 ( -4.456 8.822 0.000) 9.883 10.573 ( 12.341 12.893 0.000) 17.847 10.783 ( -10.211 13.829 0.000) 17.190 11.064 ( 2.806 -6.131 0.000) 6.743 11.092 ( -1.074 -4.779 0.000) 4.899 11.233 ( 5.466 0.917 0.000) 5.543 11.406 ( -11.436 0.497 0.000) 11.447 18.267 ( 10.115 5.926 0.000) 11.723 18.454 ( -9.840 5.293 0.000) 11.173 18.701 ( 4.720 -5.979 0.000) 7.618 18.781 ( -5.953 -0.120 0.000) 5.955 19.044 ( 1.162 9.715 0.000) 9.784 19.164 ( -9.315 3.656 0.000) 10.007 19.373 ( -0.649 1.981 0.000) 2.085 19.461 ( -9.943 0.510 0.000) 9.956 20.688 ( 4.681 6.527 0.000) 8.032 20.701 ( 3.427 7.212 0.000) 7.985 21.028 ( 7.342 4.009 0.000) 8.365 21.131 ( -3.582 4.569 0.000) 5.806 21.342 ( 2.012 -4.859 0.000) 5.259 21.368 ( -1.635 -4.413 0.000) 4.707 21.436 ( 3.745 -2.925 0.000) 4.752 21.520 ( -4.436 -3.427 0.000) 5.605 21.711 ( 2.803 1.384 0.000) 3.126 21.734 ( 0.430 0.028 0.000) 0.431 21.925 ( 4.180 -3.132 0.000) 5.223 21.967 ( 0.042 -5.619 0.000) 5.619 44.256 ( 1.356 2.706 0.000) 3.027 44.284 ( -1.661 1.937 0.000) 2.552 44.478 ( 0.995 -5.328 0.000) 5.420 44.501 ( -1.538 -6.500 0.000) 6.680 45.113 ( 2.664 1.509 0.000) 3.061 45.156 ( -1.879 1.703 0.000) 2.536 45.352 ( 3.444 -3.565 0.000) 4.957 45.399 ( -1.650 -3.286 0.000) 3.678 46.132 ( 7.337 11.465 0.000) 13.612 46.282 ( -8.547 12.063 0.000) 14.784 46.428 ( 10.969 3.003 0.000) 11.373 46.626 ( -10.036 1.612 0.000) 10.165 47.198 ( 0.208 -1.556 0.000) 1.570 47.199 ( 0.076 -1.891 0.000) 1.892 47.291 ( 0.646 -3.846 0.000) 3.900 47.292 ( 0.515 -3.743 0.000) 3.779 ======================= Grid point 28 (17/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 0.000 17.454 0.000) 17.454 1.808 ( 0.000 18.367 0.000) 18.367 2.088 ( 0.000 -11.508 0.000) 11.508 2.126 ( 0.000 -13.431 0.000) 13.431 2.251 ( 0.000 7.042 0.000) 7.042 2.337 ( 0.000 4.005 0.000) 4.005 2.340 ( 0.000 4.943 0.000) 4.943 2.355 ( 0.000 -3.056 0.000) 3.056 2.521 ( 0.000 0.876 0.000) 0.876 2.571 ( 0.000 -5.393 0.000) 5.393 2.577 ( 0.000 3.129 0.000) 3.129 2.659 ( 0.000 -5.177 0.000) 5.177 2.788 ( 0.000 -1.654 0.000) 1.654 2.822 ( 0.000 -4.304 0.000) 4.304 2.829 ( 0.000 16.592 0.000) 16.592 2.886 ( 0.000 5.763 0.000) 5.763 2.940 ( 0.000 -0.186 0.000) 0.186 3.030 ( 0.000 1.919 0.000) 1.919 3.030 ( 0.000 1.993 0.000) 1.993 3.149 ( 0.000 -13.981 0.000) 13.981 3.297 ( 0.000 6.206 0.000) 6.206 3.361 ( 0.000 -0.934 0.000) 0.934 3.425 ( 0.000 -6.404 0.000) 6.404 3.480 ( 0.000 -10.634 0.000) 10.634 3.806 ( 0.000 3.915 0.000) 3.915 3.853 ( 0.000 -1.459 0.000) 1.459 3.920 ( 0.000 1.992 0.000) 1.992 3.950 ( 0.000 -0.612 0.000) 0.612 4.053 ( 0.000 7.736 0.000) 7.736 4.235 ( 0.000 -9.405 0.000) 9.405 4.270 ( 0.000 2.182 0.000) 2.182 4.272 ( 0.000 2.135 0.000) 2.135 4.306 ( 0.000 -1.452 0.000) 1.452 4.327 ( 0.000 -3.208 0.000) 3.208 4.687 ( 0.000 1.174 0.000) 1.174 4.689 ( 0.000 1.093 0.000) 1.093 9.016 ( 0.000 5.993 0.000) 5.993 9.121 ( 0.000 -4.951 0.000) 4.951 9.305 ( 0.000 13.924 0.000) 13.924 9.537 ( 0.000 -10.016 0.000) 10.016 10.452 ( 0.000 8.734 0.000) 8.734 10.512 ( 0.000 1.799 0.000) 1.799 10.770 ( 0.000 12.093 0.000) 12.093 10.980 ( 0.000 -8.928 0.000) 8.928 11.101 ( 0.000 2.870 0.000) 2.870 11.166 ( 0.000 -3.176 0.000) 3.176 11.563 ( 0.000 15.107 0.000) 15.107 11.771 ( 0.000 -5.915 0.000) 5.915 18.070 ( 0.000 8.575 0.000) 8.575 18.243 ( 0.000 -8.922 0.000) 8.922 19.091 ( 0.000 7.970 0.000) 7.970 19.254 ( 0.000 -7.183 0.000) 7.183 19.661 ( 0.000 3.362 0.000) 3.362 19.797 ( 0.000 -9.169 0.000) 9.169 19.921 ( 0.000 8.057 0.000) 8.057 20.037 ( 0.000 -2.432 0.000) 2.432 20.135 ( 0.000 14.712 0.000) 14.712 20.369 ( 0.000 -9.571 0.000) 9.571 20.476 ( 0.000 12.184 0.000) 12.184 20.683 ( 0.000 -8.690 0.000) 8.690 21.344 ( 0.000 4.368 0.000) 4.368 21.406 ( 0.000 -1.176 0.000) 1.176 21.436 ( 0.000 0.858 0.000) 0.858 21.521 ( 0.000 -7.004 0.000) 7.004 21.635 ( 0.000 0.426 0.000) 0.426 21.647 ( 0.000 -1.436 0.000) 1.436 21.688 ( 0.000 2.742 0.000) 2.742 21.715 ( 0.000 0.076 0.000) 0.076 44.307 ( 0.000 5.243 0.000) 5.243 44.367 ( 0.000 0.945 0.000) 0.945 44.394 ( 0.000 -1.830 0.000) 1.830 44.427 ( 0.000 -7.216 0.000) 7.216 45.038 ( 0.000 2.255 0.000) 2.255 45.088 ( 0.000 -2.799 0.000) 2.799 45.269 ( 0.000 4.078 0.000) 4.078 45.353 ( 0.000 -4.178 0.000) 4.178 46.067 ( 0.000 4.638 0.000) 4.638 46.095 ( 0.000 1.710 0.000) 1.710 46.811 ( 0.000 7.704 0.000) 7.704 46.914 ( 0.000 -2.654 0.000) 2.654 47.151 ( 0.000 0.926 0.000) 0.926 47.152 ( 0.000 -0.718 0.000) 0.718 47.171 ( 0.000 -2.429 0.000) 2.429 47.197 ( 0.000 -3.433 0.000) 3.433 ======================= Grid point 29 (18/60) ======================= q-point: ( 0.14 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 1.395 18.237 0.000) 18.290 1.838 ( 3.677 15.892 0.000) 16.312 2.079 ( -0.992 -7.682 0.000) 7.746 2.128 ( 0.237 -12.432 0.000) 12.434 2.253 ( 0.440 3.028 0.000) 3.060 2.329 ( -1.605 -3.100 0.000) 3.491 2.348 ( 0.657 5.813 0.000) 5.850 2.365 ( 2.622 2.385 0.000) 3.544 2.544 ( 2.115 -1.790 0.000) 2.771 2.571 ( -0.015 -4.678 0.000) 4.678 2.634 ( 5.201 5.301 0.000) 7.426 2.735 ( 5.951 -4.080 0.000) 7.215 2.773 ( -1.269 0.370 0.000) 1.322 2.820 ( 0.278 -5.191 0.000) 5.198 2.873 ( -0.900 3.915 0.000) 4.017 2.887 ( 5.710 15.243 0.000) 16.277 2.955 ( 1.121 -2.188 0.000) 2.459 2.969 ( -4.227 4.793 0.000) 6.391 3.013 ( -2.284 -1.068 0.000) 2.521 3.156 ( 1.356 -7.260 0.000) 7.386 3.360 ( 4.788 2.248 0.000) 5.289 3.378 ( 1.914 -0.046 0.000) 1.914 3.447 ( 2.550 -5.905 0.000) 6.432 3.514 ( 2.959 -10.360 0.000) 10.774 3.769 ( -4.181 3.709 0.000) 5.589 3.831 ( -1.880 -2.550 0.000) 3.168 3.926 ( 0.433 1.882 0.000) 1.931 3.951 ( -0.185 -0.415 0.000) 0.455 4.007 ( -3.204 6.999 0.000) 7.698 4.147 ( -3.882 -5.688 0.000) 6.887 4.217 ( -5.311 2.760 0.000) 5.986 4.265 ( -4.256 -2.001 0.000) 4.703 4.367 ( 4.359 -0.663 0.000) 4.409 4.379 ( 4.757 -2.202 0.000) 5.242 4.668 ( -1.851 1.602 0.000) 2.448 4.680 ( -1.311 0.388 0.000) 1.367 9.065 ( 5.348 7.914 0.000) 9.551 9.202 ( 8.281 -6.162 0.000) 10.322 9.355 ( 5.053 15.733 0.000) 16.525 9.616 ( 7.679 -11.049 0.000) 13.455 10.466 ( 1.565 7.712 0.000) 7.869 10.511 ( -0.247 2.179 0.000) 2.193 10.749 ( -2.318 11.982 0.000) 12.204 10.959 ( -2.233 -9.033 0.000) 9.305 11.077 ( -2.163 3.432 0.000) 4.057 11.156 ( -1.010 -3.891 0.000) 4.020 11.506 ( -5.903 14.963 0.000) 16.085 11.715 ( -5.899 -6.156 0.000) 8.526 18.115 ( 4.759 8.519 0.000) 9.759 18.288 ( 4.722 -8.926 0.000) 10.098 18.979 ( -10.455 7.444 0.000) 12.834 19.128 ( -11.448 -6.620 0.000) 13.224 19.591 ( -6.797 6.017 0.000) 9.078 19.660 ( -18.393 8.210 0.000) 20.142 19.758 ( -16.737 -0.721 0.000) 16.753 19.760 ( -5.676 -10.339 0.000) 11.795 20.446 ( 17.814 8.398 0.000) 19.694 20.551 ( 8.170 13.289 0.000) 15.599 20.581 ( 15.887 -4.896 0.000) 16.624 20.786 ( 9.575 -10.325 0.000) 14.081 21.358 ( 0.607 3.684 0.000) 3.734 21.403 ( -0.618 -0.662 0.000) 0.906 21.415 ( -2.186 0.911 0.000) 2.369 21.505 ( -1.794 -7.493 0.000) 7.705 21.647 ( 1.972 1.941 0.000) 2.767 21.698 ( 4.858 -3.430 0.000) 5.947 21.705 ( 2.003 3.428 0.000) 3.970 21.745 ( 2.930 -0.632 0.000) 2.997 44.307 ( 0.025 4.956 0.000) 4.956 44.361 ( -0.622 1.273 0.000) 1.416 44.394 ( -0.017 -2.176 0.000) 2.176 44.420 ( -0.718 -6.728 0.000) 6.766 45.059 ( 2.208 2.823 0.000) 3.584 45.121 ( 3.260 -3.426 0.000) 4.729 45.264 ( -0.566 4.160 0.000) 4.199 45.349 ( -0.323 -4.317 0.000) 4.329 46.099 ( 3.455 5.409 0.000) 6.418 46.144 ( 4.966 0.822 0.000) 5.034 46.767 ( -4.673 8.022 0.000) 9.284 46.875 ( -4.160 -2.970 0.000) 5.112 47.157 ( 0.560 -0.435 0.000) 0.709 47.161 ( 0.929 0.611 0.000) 1.112 47.180 ( 0.953 -2.589 0.000) 2.759 47.199 ( 0.296 -3.109 0.000) 3.123 ======================= Grid point 30 (19/60) ======================= q-point: ( 0.29 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 2.982 16.414 0.000) 16.683 1.927 ( 5.288 11.478 0.000) 12.637 2.054 ( -1.405 -0.746 0.000) 1.591 2.132 ( 0.055 -10.559 0.000) 10.559 2.259 ( 0.001 -0.219 0.000) 0.219 2.335 ( 2.527 -4.982 0.000) 5.586 2.344 ( -1.312 7.558 0.000) 7.671 2.426 ( 3.490 -0.359 0.000) 3.508 2.570 ( -0.038 -3.125 0.000) 3.125 2.587 ( 2.397 -4.263 0.000) 4.891 2.703 ( 0.047 9.744 0.000) 9.745 2.755 ( -0.339 1.649 0.000) 1.684 2.760 ( -1.960 -1.915 0.000) 2.741 2.866 ( 2.805 -1.214 0.000) 3.057 2.871 ( -4.629 4.725 0.000) 6.615 2.927 ( 7.709 -4.255 0.000) 8.806 2.949 ( -1.200 -2.118 0.000) 2.434 2.979 ( 2.022 -5.199 0.000) 5.578 3.080 ( 9.482 10.987 0.000) 14.513 3.183 ( 0.903 -0.299 0.000) 0.951 3.419 ( 0.549 2.751 0.000) 2.805 3.436 ( 4.329 1.849 0.000) 4.707 3.520 ( 4.972 -5.423 0.000) 7.357 3.569 ( 3.567 -9.878 0.000) 10.503 3.682 ( -3.970 3.496 0.000) 5.290 3.784 ( -3.126 -6.682 0.000) 7.377 3.897 ( -5.696 3.597 0.000) 6.737 3.937 ( -1.281 -0.849 0.000) 1.537 3.989 ( 1.699 6.083 0.000) 6.316 4.106 ( -0.962 -5.122 0.000) 5.212 4.108 ( -4.854 2.692 0.000) 5.550 4.167 ( -5.278 -3.037 0.000) 6.090 4.435 ( 3.100 0.839 0.000) 3.212 4.452 ( 2.949 -1.109 0.000) 3.151 4.619 ( -3.402 1.840 0.000) 3.868 4.639 ( -3.070 -0.265 0.000) 3.081 9.207 ( 9.465 12.051 0.000) 15.323 9.407 ( 13.076 -8.360 0.000) 15.520 9.463 ( 5.339 19.066 0.000) 19.800 9.771 ( 7.161 -12.164 0.000) 14.116 10.495 ( -0.845 4.145 0.000) 4.230 10.524 ( 4.664 3.129 0.000) 5.616 10.684 ( -4.605 11.760 0.000) 12.629 10.898 ( -4.323 -9.411 0.000) 10.357 11.045 ( -0.604 4.344 0.000) 4.386 11.144 ( 0.505 -4.493 0.000) 4.521 11.360 ( -9.199 13.938 0.000) 16.700 11.562 ( -10.147 -6.328 0.000) 11.958 18.238 ( 8.062 8.303 0.000) 11.573 18.408 ( 7.782 -8.897 0.000) 11.820 18.766 ( -11.255 6.936 0.000) 13.221 18.900 ( -11.874 -5.940 0.000) 13.277 19.363 ( -12.489 8.736 0.000) 15.241 19.434 ( -9.300 7.134 0.000) 11.721 19.483 ( -11.732 -3.087 0.000) 12.131 19.592 ( -10.961 -8.115 0.000) 13.638 20.731 ( 12.481 9.114 0.000) 15.454 20.739 ( 10.439 13.013 0.000) 16.682 20.861 ( 13.490 -2.838 0.000) 13.785 20.984 ( 10.675 -10.984 0.000) 15.317 21.331 ( -3.580 2.791 0.000) 4.539 21.358 ( -3.808 0.508 0.000) 3.842 21.380 ( -1.912 -2.018 0.000) 2.780 21.454 ( -3.631 -8.086 0.000) 8.864 21.711 ( 4.348 4.192 0.000) 6.040 21.755 ( 2.963 3.926 0.000) 4.918 21.802 ( 5.399 -5.039 0.000) 7.385 21.812 ( 3.824 -1.704 0.000) 4.187 44.309 ( 0.213 4.260 0.000) 4.265 44.346 ( -0.910 1.934 0.000) 2.138 44.393 ( -0.140 -2.897 0.000) 2.901 44.405 ( -0.782 -5.679 0.000) 5.732 45.113 ( 3.354 3.714 0.000) 5.004 45.194 ( 4.240 -4.336 0.000) 6.064 45.248 ( -1.121 4.365 0.000) 4.506 45.340 ( -0.790 -4.650 0.000) 4.716 46.191 ( 6.306 6.828 0.000) 9.294 46.268 ( 8.059 -0.932 0.000) 8.113 46.647 ( -7.906 8.501 0.000) 11.609 46.765 ( -7.443 -3.558 0.000) 8.250 47.171 ( 0.847 0.136 0.000) 0.857 47.178 ( 0.807 0.450 0.000) 0.924 47.202 ( 1.260 -2.847 0.000) 3.113 47.211 ( 0.913 -2.770 0.000) 2.916 ======================= Grid point 31 (20/60) ======================= q-point: ( 0.43 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.924 ( 3.432 12.128 0.000) 12.604 1.976 ( -1.396 7.471 0.000) 7.600 2.068 ( 3.545 1.475 0.000) 3.839 2.122 ( -1.571 -6.761 0.000) 6.941 2.266 ( 1.082 2.877 0.000) 3.074 2.303 ( -2.614 7.980 0.000) 8.397 2.402 ( 4.004 -6.913 0.000) 7.989 2.458 ( -1.092 -5.909 0.000) 6.009 2.587 ( 2.694 1.491 0.000) 3.079 2.637 ( 3.074 -3.511 0.000) 4.666 2.655 ( -3.832 4.726 0.000) 6.084 2.703 ( -3.796 -1.905 0.000) 4.247 2.762 ( 1.109 5.951 0.000) 6.053 2.799 ( -2.967 6.471 0.000) 7.119 2.912 ( 1.454 -4.551 0.000) 4.778 2.930 ( -0.773 -5.538 0.000) 5.591 3.053 ( 5.640 -1.643 0.000) 5.874 3.077 ( 7.667 -2.906 0.000) 8.200 3.142 ( -3.100 3.400 0.000) 4.601 3.194 ( -2.978 -2.204 0.000) 3.704 3.473 ( 9.375 12.396 0.000) 15.542 3.529 ( 5.147 2.723 0.000) 5.823 3.612 ( 3.702 -3.712 0.000) 5.243 3.616 ( -3.842 2.390 0.000) 4.525 3.668 ( 4.823 -6.347 0.000) 7.972 3.718 ( -11.397 7.061 0.000) 13.407 3.733 ( -0.337 -9.099 0.000) 9.105 3.853 ( -7.732 -5.691 0.000) 9.600 4.045 ( 3.247 1.751 0.000) 3.689 4.071 ( 0.322 1.218 0.000) 1.260 4.093 ( -0.837 -2.468 0.000) 2.606 4.099 ( -2.307 -1.990 0.000) 3.046 4.487 ( 2.759 1.632 0.000) 3.205 4.505 ( 3.157 -0.446 0.000) 3.189 4.548 ( -3.838 1.995 0.000) 4.326 4.572 ( -3.860 -0.537 0.000) 3.897 9.389 ( 9.027 16.638 0.000) 18.929 9.502 ( -2.147 19.862 0.000) 19.978 9.655 ( 12.350 -10.381 0.000) 16.133 9.815 ( -3.497 -11.823 0.000) 12.330 10.499 ( 2.380 8.620 0.000) 8.942 10.584 ( -5.782 11.233 0.000) 12.634 10.651 ( 8.280 -5.050 0.000) 9.698 10.796 ( -6.724 -9.313 0.000) 11.487 11.073 ( 3.855 6.783 0.000) 7.801 11.189 ( -8.361 11.122 0.000) 13.914 11.201 ( 5.975 -4.524 0.000) 7.495 11.361 ( -10.580 -5.567 0.000) 11.956 18.401 ( 9.212 7.667 0.000) 11.985 18.558 ( 7.966 -8.073 0.000) 11.341 18.575 ( -9.516 6.845 0.000) 11.722 18.708 ( -8.726 -6.198 0.000) 10.703 19.225 ( -1.973 8.221 0.000) 8.454 19.277 ( -6.652 7.020 0.000) 9.671 19.350 ( -2.146 -4.173 0.000) 4.693 19.406 ( -7.646 -5.446 0.000) 9.388 20.894 ( 5.150 13.290 0.000) 14.253 20.897 ( 4.889 11.747 0.000) 12.724 21.076 ( 9.643 -2.780 0.000) 10.036 21.155 ( 6.591 -11.624 0.000) 13.362 21.239 ( -5.433 4.621 0.000) 7.132 21.279 ( -4.629 -0.897 0.000) 4.715 21.345 ( -0.853 -5.406 0.000) 5.473 21.378 ( -3.910 -8.249 0.000) 9.128 21.781 ( 2.609 4.756 0.000) 5.425 21.796 ( 0.982 4.349 0.000) 4.458 21.870 ( 2.034 -3.053 0.000) 3.669 21.874 ( 1.902 -4.523 0.000) 4.907 44.316 ( 0.551 3.442 0.000) 3.486 44.329 ( -0.858 2.662 0.000) 2.797 44.391 ( -0.030 -3.719 0.000) 3.720 44.394 ( -0.378 -4.628 0.000) 4.643 45.174 ( 2.975 4.328 0.000) 5.252 45.220 ( -1.963 4.513 0.000) 4.921 45.267 ( 3.385 -4.859 0.000) 5.921 45.316 ( -1.873 -4.926 0.000) 5.270 46.327 ( 8.138 8.037 0.000) 11.438 46.433 ( 9.359 -2.613 0.000) 9.717 46.487 ( -8.880 8.597 0.000) 12.359 46.607 ( -9.179 -3.568 0.000) 9.848 47.185 ( 0.525 0.604 0.000) 0.801 47.188 ( 0.197 0.685 0.000) 0.712 47.222 ( 0.695 -2.979 0.000) 3.059 47.225 ( 0.394 -2.900 0.000) 2.927 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.481 ( 0.000 0.000 23.756) 23.756 0.499 ( 0.000 0.000 24.327) 24.327 0.792 ( 0.000 0.000 38.632) 38.632 1.631 ( 0.000 0.000 -10.645) 10.645 1.737 ( 0.000 0.000 -17.206) 17.206 2.028 ( 0.000 0.000 11.144) 11.144 2.192 ( 0.000 0.000 2.467) 2.467 2.315 ( 0.000 0.000 4.396) 4.396 2.565 ( 0.000 0.000 -7.410) 7.410 2.584 ( 0.000 0.000 1.101) 1.101 2.654 ( 0.000 0.000 -3.604) 3.604 2.764 ( 0.000 0.000 5.364) 5.364 2.807 ( 0.000 0.000 3.767) 3.767 2.811 ( 0.000 0.000 -8.513) 8.513 2.868 ( 0.000 0.000 4.525) 4.525 2.870 ( 0.000 0.000 -2.955) 2.955 3.138 ( 0.000 0.000 -3.036) 3.036 3.149 ( 0.000 0.000 -5.506) 5.506 3.151 ( 0.000 0.000 -3.904) 3.904 3.309 ( 0.000 0.000 0.207) 0.207 3.361 ( 0.000 0.000 -6.733) 6.733 3.413 ( 0.000 0.000 -7.657) 7.657 3.522 ( 0.000 0.000 -1.651) 1.651 3.636 ( 0.000 0.000 -1.009) 1.009 3.721 ( 0.000 0.000 4.884) 4.884 3.752 ( 0.000 0.000 2.138) 2.138 3.885 ( 0.000 0.000 9.201) 9.201 3.915 ( 0.000 0.000 6.561) 6.561 4.080 ( 0.000 0.000 -1.018) 1.018 4.222 ( 0.000 0.000 -1.151) 1.151 4.250 ( 0.000 0.000 -2.577) 2.577 4.432 ( 0.000 0.000 9.180) 9.180 4.436 ( 0.000 0.000 -3.235) 3.235 4.513 ( 0.000 0.000 1.765) 1.765 4.633 ( 0.000 0.000 -0.904) 0.904 4.886 ( 0.000 0.000 -3.316) 3.316 8.153 ( 0.000 0.000 10.310) 10.310 8.573 ( 0.000 0.000 16.604) 16.604 9.099 ( 0.000 0.000 -10.213) 10.213 9.274 ( 0.000 0.000 4.629) 4.629 9.939 ( 0.000 0.000 -12.688) 12.688 10.057 ( 0.000 0.000 -12.656) 12.656 10.390 ( 0.000 0.000 6.541) 6.541 10.652 ( 0.000 0.000 6.428) 6.428 10.805 ( 0.000 0.000 -3.761) 3.761 10.916 ( 0.000 0.000 9.883) 9.883 11.232 ( 0.000 0.000 -6.201) 6.201 11.376 ( 0.000 0.000 -3.283) 3.283 18.254 ( 0.000 0.000 3.283) 3.283 18.575 ( 0.000 0.000 -4.170) 4.170 18.901 ( 0.000 0.000 3.085) 3.085 19.124 ( 0.000 0.000 -1.497) 1.497 19.168 ( 0.000 0.000 1.778) 1.778 19.366 ( 0.000 0.000 -2.929) 2.929 19.452 ( 0.000 0.000 0.439) 0.439 19.634 ( 0.000 0.000 -4.442) 4.442 20.516 ( 0.000 0.000 5.874) 5.874 20.855 ( 0.000 0.000 2.205) 2.205 20.881 ( 0.000 0.000 2.228) 2.228 21.024 ( 0.000 0.000 -1.178) 1.178 21.100 ( 0.000 0.000 -2.940) 2.940 21.136 ( 0.000 0.000 -8.107) 8.107 21.204 ( 0.000 0.000 2.908) 2.908 21.226 ( 0.000 0.000 2.481) 2.481 21.339 ( 0.000 0.000 -0.226) 0.226 21.414 ( 0.000 0.000 -1.996) 1.996 21.886 ( 0.000 0.000 2.016) 2.016 21.949 ( 0.000 0.000 -0.016) 0.016 44.132 ( 0.000 0.000 3.375) 3.375 44.532 ( 0.000 0.000 -7.199) 7.199 45.020 ( 0.000 0.000 4.630) 4.630 45.225 ( 0.000 0.000 -1.943) 1.943 45.289 ( 0.000 0.000 -0.009) 0.009 45.291 ( 0.000 0.000 -0.026) 0.026 45.316 ( 0.000 0.000 0.461) 0.461 45.346 ( 0.000 0.000 2.876) 2.876 45.352 ( 0.000 0.000 -0.392) 0.392 45.595 ( 0.000 0.000 -4.619) 4.619 45.832 ( 0.000 0.000 4.525) 4.525 46.039 ( 0.000 0.000 -1.517) 1.517 47.226 ( 0.000 0.000 1.183) 1.183 47.359 ( 0.000 0.000 -2.358) 2.358 47.447 ( 0.000 0.000 0.923) 0.923 47.469 ( 0.000 0.000 -0.076) 0.076 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 13.888 0.000 15.964) 21.160 0.659 ( 16.278 0.000 17.129) 23.630 1.132 ( 27.877 0.000 27.371) 39.068 1.651 ( 2.535 0.000 -10.232) 10.541 1.778 ( 4.173 0.000 -16.260) 16.787 2.042 ( 0.862 0.000 9.916) 9.953 2.124 ( -7.001 0.000 2.848) 7.558 2.302 ( -1.471 0.000 2.818) 3.178 2.518 ( -6.247 0.000 -0.281) 6.253 2.581 ( 0.474 0.000 -8.718) 8.731 2.658 ( 1.384 0.000 -0.731) 1.565 2.754 ( -0.904 0.000 5.697) 5.768 2.791 ( 0.459 0.000 0.896) 1.007 2.811 ( -0.074 0.000 -5.418) 5.418 2.855 ( -1.387 0.000 4.894) 5.087 2.932 ( 3.339 0.000 -0.897) 3.457 3.108 ( -1.468 0.000 -0.387) 1.518 3.163 ( 2.600 0.000 -3.644) 4.476 3.185 ( 4.388 0.000 -8.524) 9.587 3.313 ( -0.602 0.000 -3.039) 3.098 3.361 ( -0.202 0.000 -4.396) 4.401 3.413 ( -0.190 0.000 -8.865) 8.867 3.530 ( 1.083 0.000 0.557) 1.218 3.683 ( 4.658 0.000 -1.220) 4.815 3.714 ( -2.239 0.000 6.900) 7.254 3.773 ( 1.276 0.000 2.015) 2.386 3.867 ( -1.961 0.000 9.083) 9.292 3.878 ( -1.024 0.000 6.667) 6.745 4.037 ( -1.693 0.000 2.650) 3.144 4.227 ( -2.416 0.000 -2.542) 3.507 4.230 ( -1.019 0.000 -0.873) 1.342 4.367 ( -3.356 0.000 5.285) 6.260 4.405 ( -3.987 0.000 -3.733) 5.461 4.594 ( 4.119 0.000 1.403) 4.352 4.619 ( -1.088 0.000 -0.289) 1.125 4.829 ( -4.832 0.000 -1.282) 4.999 8.140 ( -1.011 0.000 10.851) 10.898 8.508 ( -5.999 0.000 15.207) 16.348 9.175 ( 7.052 0.000 -10.347) 12.521 9.359 ( 8.575 0.000 4.119) 9.513 9.914 ( -2.483 0.000 -12.145) 12.397 10.072 ( 1.323 0.000 -10.756) 10.838 10.356 ( -3.461 0.000 5.064) 6.133 10.418 ( -13.556 0.000 3.504) 14.002 10.937 ( 2.316 0.000 8.689) 8.993 11.057 ( 15.235 0.000 -0.211) 15.236 11.274 ( 3.705 0.000 -4.710) 5.993 11.356 ( -2.119 0.000 -2.995) 3.669 18.277 ( 2.438 0.000 3.112) 3.954 18.326 ( -30.861 0.000 30.147) 43.142 18.578 ( 0.134 0.000 -3.804) 3.806 18.829 ( -10.192 0.000 1.608) 10.318 19.144 ( -2.249 0.000 1.556) 2.735 19.196 ( -16.938 0.000 5.396) 17.777 19.334 ( -3.303 0.000 -2.875) 4.379 19.818 ( -2.335 0.000 -11.927) 12.154 20.309 ( -1.538 0.000 12.425) 12.520 20.893 ( 1.243 0.000 2.180) 2.509 20.977 ( 12.604 0.000 -2.854) 12.923 21.022 ( -0.238 0.000 -0.680) 0.721 21.033 ( -3.431 0.000 -1.881) 3.913 21.215 ( 1.210 0.000 2.319) 2.616 21.280 ( 3.147 0.000 -4.372) 5.387 21.404 ( -0.977 0.000 -1.890) 2.127 21.408 ( 10.879 0.000 2.200) 11.099 21.892 ( 1.812 0.000 0.642) 1.922 21.929 ( 10.882 0.000 -7.919) 13.459 22.053 ( 22.205 0.000 -21.684) 31.037 44.142 ( 1.087 0.000 3.400) 3.570 44.471 ( -6.150 0.000 -1.319) 6.289 44.777 ( -5.808 0.000 12.462) 13.749 45.179 ( -5.396 0.000 -1.696) 5.656 45.290 ( 0.090 0.000 0.011) 0.090 45.294 ( 0.222 0.000 -0.038) 0.225 45.315 ( -0.009 0.000 0.431) 0.432 45.349 ( -0.234 0.000 -0.371) 0.439 45.504 ( 6.409 0.000 -1.291) 6.537 45.664 ( 6.831 0.000 -3.791) 7.813 45.789 ( -0.569 0.000 5.700) 5.729 46.293 ( 10.498 0.000 -17.270) 20.211 47.239 ( 1.420 0.000 0.941) 1.703 47.367 ( 0.423 0.000 -2.137) 2.178 47.426 ( -2.672 0.000 2.156) 3.434 47.442 ( -0.437 0.000 0.728) 0.849 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 20.951 0.000 4.898) 21.516 1.002 ( 19.377 0.000 10.814) 22.191 1.656 ( 19.010 0.000 4.045) 19.436 1.730 ( 11.644 0.000 4.622) 12.528 1.870 ( 2.650 0.000 -10.484) 10.814 1.957 ( -7.887 0.000 0.476) 7.902 2.025 ( -2.866 0.000 4.094) 4.998 2.254 ( -3.836 0.000 -1.352) 4.068 2.391 ( -6.019 0.000 -1.551) 6.216 2.568 ( -0.764 0.000 -4.254) 4.322 2.699 ( 1.243 0.000 -0.636) 1.396 2.740 ( -0.360 0.000 6.718) 6.728 2.789 ( 0.937 0.000 3.072) 3.212 2.820 ( -2.238 0.000 5.967) 6.373 2.856 ( 3.349 0.000 -2.390) 4.114 2.997 ( 4.054 0.000 -1.925) 4.488 3.102 ( 0.288 0.000 -0.777) 0.828 3.226 ( 3.849 0.000 -5.502) 6.714 3.260 ( -4.450 0.000 -7.879) 9.049 3.299 ( 4.108 0.000 -1.567) 4.396 3.365 ( 0.836 0.000 -4.878) 4.949 3.397 ( -1.561 0.000 -10.096) 10.216 3.571 ( 3.270 0.000 4.309) 5.409 3.587 ( -7.691 0.000 4.540) 8.931 3.787 ( 0.460 0.000 2.860) 2.897 3.792 ( 5.751 0.000 -0.234) 5.756 3.816 ( -2.419 0.000 7.378) 7.764 3.920 ( 3.383 0.000 3.965) 5.212 4.054 ( 3.596 0.000 2.195) 4.213 4.161 ( -4.611 0.000 -2.435) 5.215 4.208 ( -2.469 0.000 3.022) 3.902 4.275 ( -5.223 0.000 -1.457) 5.423 4.335 ( -2.549 0.000 1.083) 2.770 4.581 ( -3.304 0.000 3.099) 4.530 4.642 ( 1.045 0.000 -1.199) 1.590 4.732 ( -5.093 0.000 -2.127) 5.520 8.133 ( 0.717 0.000 11.883) 11.905 8.382 ( -7.024 0.000 13.966) 15.633 9.325 ( 8.605 0.000 -11.447) 14.321 9.544 ( 9.215 0.000 -0.391) 9.223 9.863 ( -1.878 0.000 -8.603) 8.805 10.086 ( -0.445 0.000 -6.236) 6.252 10.219 ( -7.399 0.000 3.026) 7.994 10.272 ( -5.218 0.000 2.752) 5.899 11.001 ( 4.458 0.000 5.633) 7.184 11.293 ( 9.521 0.000 0.453) 9.532 11.298 ( -4.106 0.000 -2.097) 4.611 11.354 ( 4.543 0.000 -1.000) 4.652 18.094 ( 0.132 0.000 15.949) 15.950 18.342 ( 4.462 0.000 2.561) 5.145 18.571 ( -1.143 0.000 -2.506) 2.755 18.621 ( -11.172 0.000 -0.977) 11.215 18.956 ( -8.682 0.000 5.256) 10.149 19.101 ( -1.840 0.000 0.660) 1.954 19.252 ( -5.138 0.000 -2.671) 5.790 19.495 ( -22.505 0.000 -5.993) 23.289 20.522 ( 14.755 0.000 5.604) 15.783 20.924 ( 1.913 0.000 2.029) 2.788 20.956 ( -3.673 0.000 -2.246) 4.306 21.013 ( -0.798 0.000 0.353) 0.872 21.177 ( 7.659 0.000 -2.479) 8.050 21.247 ( 2.163 0.000 1.042) 2.401 21.315 ( 1.104 0.000 -3.786) 3.944 21.378 ( -1.810 0.000 -1.567) 2.394 21.639 ( 11.901 0.000 4.163) 12.608 21.905 ( 0.258 0.000 2.145) 2.160 22.035 ( 5.843 0.000 -1.670) 6.077 22.297 ( 3.418 0.000 -15.995) 16.356 44.171 ( 2.101 0.000 3.452) 4.041 44.362 ( -5.027 0.000 3.019) 5.864 44.774 ( 2.878 0.000 3.650) 4.648 45.063 ( -6.555 0.000 -1.687) 6.768 45.293 ( 0.160 0.000 0.061) 0.172 45.298 ( 0.185 0.000 -0.006) 0.185 45.316 ( 0.182 0.000 0.283) 0.337 45.343 ( -0.441 0.000 -0.306) 0.537 45.600 ( 4.639 0.000 1.025) 4.751 45.784 ( -0.631 0.000 4.225) 4.272 45.829 ( 10.437 0.000 -3.508) 11.011 46.342 ( -3.253 0.000 -12.226) 12.652 47.271 ( 1.719 0.000 0.094) 1.722 47.353 ( -1.660 0.000 -0.040) 1.661 47.413 ( 0.756 0.000 0.034) 0.757 47.436 ( -0.056 0.000 0.291) 0.296 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 19.365 0.000 1.148) 19.399 1.356 ( 18.257 0.000 7.374) 19.690 1.623 ( -11.608 0.000 -1.885) 11.760 1.672 ( -15.509 0.000 5.086) 16.322 2.008 ( 3.645 0.000 -5.016) 6.200 2.031 ( 7.266 0.000 -10.260) 12.572 2.056 ( 4.156 0.000 1.327) 4.363 2.159 ( -6.233 0.000 -6.233) 8.815 2.391 ( 9.929 0.000 3.795) 10.630 2.551 ( -3.246 0.000 2.567) 4.138 2.722 ( 4.010 0.000 1.841) 4.413 2.746 ( 1.107 0.000 7.458) 7.540 2.778 ( -2.113 0.000 7.076) 7.385 2.813 ( -0.713 0.000 1.242) 1.432 2.903 ( 2.217 0.000 1.885) 2.910 3.033 ( -10.553 0.000 1.946) 10.731 3.082 ( 0.710 0.000 -1.979) 2.102 3.114 ( -1.806 0.000 -2.384) 2.991 3.297 ( 3.603 0.000 -7.740) 8.537 3.336 ( 1.163 0.000 -1.574) 1.957 3.356 ( -2.770 0.000 -9.428) 9.827 3.362 ( -1.338 0.000 -0.127) 1.343 3.612 ( 8.021 0.000 -8.137) 11.426 3.646 ( 4.638 0.000 6.727) 8.171 3.735 ( -4.642 0.000 8.088) 9.326 3.752 ( -5.221 0.000 -3.365) 6.211 3.930 ( 7.264 0.000 -1.991) 7.532 3.988 ( 4.612 0.000 5.251) 6.989 4.058 ( -6.335 0.000 -2.253) 6.724 4.093 ( -5.561 0.000 4.692) 7.276 4.143 ( 2.745 0.000 -0.016) 2.745 4.205 ( -3.591 0.000 -2.775) 4.538 4.361 ( 5.372 0.000 5.892) 7.973 4.485 ( -6.736 0.000 5.967) 8.999 4.647 ( 0.020 0.000 -3.246) 3.246 4.663 ( -2.044 0.000 -3.351) 3.925 8.172 ( 3.499 0.000 12.768) 13.239 8.260 ( -5.811 0.000 13.378) 14.586 9.482 ( 7.928 0.000 -12.475) 14.781 9.600 ( -3.593 0.000 -11.195) 11.758 9.913 ( 6.998 0.000 0.117) 6.999 10.037 ( -4.998 0.000 -1.533) 5.227 10.146 ( -0.677 0.000 2.260) 2.359 10.181 ( -3.947 0.000 1.811) 4.343 11.098 ( 5.797 0.000 2.173) 6.191 11.206 ( -5.576 0.000 -0.451) 5.594 11.408 ( 3.268 0.000 0.872) 3.383 11.421 ( 1.889 0.000 1.129) 2.201 18.203 ( 9.752 0.000 7.245) 12.149 18.411 ( -11.689 0.000 2.651) 11.986 18.436 ( 5.288 0.000 1.482) 5.492 18.525 ( -3.895 0.000 -0.355) 3.911 18.911 ( 4.622 0.000 0.340) 4.634 19.096 ( 1.623 0.000 -0.915) 1.863 19.117 ( -16.732 0.000 -3.028) 17.004 19.158 ( -4.626 0.000 -2.127) 5.092 20.748 ( 9.316 0.000 2.225) 9.578 20.878 ( -5.122 0.000 0.023) 5.122 20.960 ( 1.908 0.000 1.740) 2.583 20.992 ( -1.450 0.000 1.218) 1.894 21.280 ( 3.672 0.000 -2.892) 4.674 21.292 ( 2.547 0.000 -0.151) 2.552 21.320 ( -0.756 0.000 -3.164) 3.253 21.339 ( -2.376 0.000 -1.006) 2.581 21.814 ( 6.682 0.000 3.917) 7.745 21.892 ( -2.035 0.000 2.973) 3.603 22.157 ( 6.880 0.000 -3.776) 7.848 22.271 ( -4.684 0.000 -7.788) 9.088 44.219 ( 2.963 0.000 3.499) 4.585 44.281 ( -3.797 0.000 3.441) 5.124 44.847 ( 4.744 0.000 0.285) 4.753 44.946 ( -5.863 0.000 -1.164) 5.977 45.296 ( 0.181 0.000 0.112) 0.213 45.299 ( -0.085 0.000 0.106) 0.136 45.323 ( 0.509 0.000 0.003) 0.509 45.334 ( -0.567 0.000 -0.190) 0.598 45.683 ( 4.275 0.000 2.232) 4.822 45.752 ( -2.848 0.000 3.054) 4.176 46.034 ( 11.042 0.000 -4.475) 11.914 46.223 ( -8.790 0.000 -7.253) 11.396 47.298 ( 1.296 0.000 -0.311) 1.333 47.323 ( -1.445 0.000 -0.148) 1.453 47.429 ( 0.755 0.000 -0.280) 0.805 47.437 ( -0.076 0.000 -0.123) 0.145 ======================= Grid point 70 (25/60) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 0.000 17.260 16.441) 23.837 0.698 ( 0.000 17.327 16.930) 24.226 1.118 ( 0.000 27.867 25.808) 37.982 1.673 ( 0.000 4.758 -9.301) 10.447 1.801 ( 0.000 5.765 -16.526) 17.503 2.058 ( 0.000 3.053 10.445) 10.882 2.281 ( 0.000 8.282 2.302) 8.596 2.358 ( 0.000 2.744 4.943) 5.654 2.565 ( 0.000 0.098 -3.335) 3.336 2.566 ( 0.000 -1.500 0.764) 1.684 2.619 ( 0.000 -0.822 -3.466) 3.563 2.721 ( 0.000 -3.464 1.876) 3.940 2.812 ( 0.000 0.407 3.662) 3.685 2.845 ( 0.000 -1.124 1.997) 2.291 2.865 ( 0.000 2.581 -3.814) 4.605 2.897 ( 0.000 2.080 -4.228) 4.712 3.015 ( 0.000 -5.479 -5.156) 7.523 3.121 ( 0.000 -5.599 -1.524) 5.803 3.168 ( 0.000 1.567 -5.331) 5.557 3.258 ( 0.000 -4.674 1.107) 4.804 3.368 ( 0.000 -4.253 -6.497) 7.765 3.380 ( 0.000 1.608 -6.485) 6.682 3.616 ( 0.000 -1.378 -0.592) 1.500 3.683 ( 0.000 6.400 -4.059) 7.579 3.744 ( 0.000 0.113 3.239) 3.241 3.752 ( 0.000 2.560 4.520) 5.195 3.888 ( 0.000 0.859 5.635) 5.700 3.914 ( 0.000 -0.125 6.206) 6.207 4.199 ( 0.000 8.183 -7.170) 10.880 4.201 ( 0.000 -4.418 -2.571) 5.112 4.234 ( 0.000 1.008 -0.537) 1.142 4.416 ( 0.000 -2.281 -2.163) 3.143 4.437 ( 0.000 -1.036 8.672) 8.733 4.484 ( 0.000 -2.790 0.696) 2.875 4.600 ( 0.000 -1.868 -0.797) 2.031 4.782 ( 0.000 -5.784 2.849) 6.448 8.279 ( 0.000 11.922 8.185) 14.462 8.676 ( 0.000 9.344 16.710) 19.145 9.135 ( 0.000 2.423 -10.818) 11.086 9.385 ( 0.000 11.408 6.228) 12.997 9.942 ( 0.000 0.162 -11.703) 11.704 10.138 ( 0.000 6.854 -11.639) 13.507 10.427 ( 0.000 3.490 4.080) 5.369 10.617 ( 0.000 -0.064 7.791) 7.791 10.833 ( 0.000 2.858 -4.146) 5.036 11.029 ( 0.000 9.112 9.074) 12.859 11.177 ( 0.000 -3.375 -5.596) 6.535 11.483 ( 0.000 8.285 -3.678) 9.065 17.969 ( 0.000 -11.586 15.118) 19.047 18.549 ( 0.000 -2.721 -5.410) 6.056 18.954 ( 0.000 1.828 5.557) 5.850 19.149 ( 0.000 2.442 -1.146) 2.698 19.249 ( 0.000 8.767 1.246) 8.855 19.439 ( 0.000 7.405 -3.416) 8.155 19.530 ( 0.000 4.529 0.903) 4.618 19.691 ( 0.000 5.280 -2.544) 5.861 20.431 ( 0.000 -8.086 5.242) 9.636 20.659 ( 0.000 -14.528 2.423) 14.728 20.818 ( 0.000 -6.757 0.521) 6.777 20.900 ( 0.000 -0.554 1.896) 1.976 21.136 ( 0.000 2.214 -3.675) 4.291 21.187 ( 0.000 1.715 -4.309) 4.638 21.344 ( 0.000 7.006 -1.028) 7.082 21.365 ( 0.000 4.901 -7.015) 8.557 21.398 ( 0.000 6.486 0.975) 6.559 21.578 ( 0.000 10.330 -7.101) 12.535 21.849 ( 0.000 -3.677 2.173) 4.272 21.920 ( 0.000 -2.878 0.131) 2.881 44.138 ( 0.000 0.836 2.999) 3.113 44.505 ( 0.000 -2.438 -6.360) 6.811 44.685 ( 0.000 -19.211 17.158) 25.758 45.009 ( 0.000 -0.740 3.522) 3.599 45.112 ( 0.000 -16.319 -1.616) 16.399 45.193 ( 0.000 -3.185 -2.154) 3.845 45.287 ( 0.000 -1.616 2.410) 2.902 45.353 ( 0.000 4.815 -0.036) 4.815 45.618 ( 0.000 10.516 -1.613) 10.639 45.651 ( 0.000 3.360 -1.968) 3.894 46.047 ( 0.000 16.846 3.572) 17.221 46.527 ( 0.000 21.244 -18.064) 27.886 47.218 ( 0.000 -0.774 1.072) 1.322 47.335 ( 0.000 -2.391 -1.940) 3.079 47.405 ( 0.000 -4.726 2.026) 5.142 47.419 ( 0.000 -2.712 0.577) 2.773 ======================= Grid point 71 (26/60) ======================= q-point: ( 0.14 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 8.733 14.993 13.808) 22.175 0.820 ( 13.345 14.357 13.331) 23.705 1.379 ( 22.960 22.293 20.060) 37.769 1.698 ( 2.724 4.986 -9.083) 10.714 1.843 ( 4.323 5.868 -15.703) 17.312 2.070 ( 0.700 2.905 9.446) 9.908 2.205 ( -7.529 7.492 2.717) 10.963 2.357 ( -0.482 4.049 3.494) 5.370 2.499 ( -6.013 -1.181 0.934) 6.199 2.583 ( 0.126 1.452 -7.191) 7.337 2.610 ( 0.320 -4.309 0.177) 4.325 2.710 ( -1.266 -2.060 1.118) 2.664 2.771 ( -0.563 -1.973 3.160) 3.768 2.845 ( -0.850 0.602 -0.109) 1.047 2.884 ( 0.753 3.094 -2.020) 3.771 2.930 ( 3.371 -0.727 0.995) 3.589 3.065 ( 2.124 -3.322 -3.039) 4.978 3.148 ( 2.451 -3.253 -2.561) 4.812 3.184 ( 3.093 0.625 -3.527) 4.732 3.277 ( 1.774 -3.372 -4.120) 5.612 3.295 ( -4.676 -2.073 -7.544) 9.115 3.405 ( 1.321 -1.329 -4.303) 4.693 3.645 ( 2.958 -2.671 -1.107) 4.137 3.684 ( -1.748 6.772 -1.634) 7.182 3.746 ( 2.347 -0.925 2.640) 3.651 3.759 ( -1.590 4.005 5.278) 6.814 3.872 ( -1.488 0.313 4.854) 5.086 3.901 ( 0.205 0.943 6.670) 6.740 4.096 ( -4.710 4.998 0.520) 6.887 4.179 ( -2.141 -3.269 -2.702) 4.751 4.262 ( -0.695 1.238 -1.582) 2.126 4.366 ( -3.881 -0.578 3.912) 5.541 4.394 ( -3.219 -0.963 -2.044) 3.933 4.558 ( 2.507 -4.359 0.707) 5.078 4.601 ( 1.001 -0.654 -0.033) 1.196 4.759 ( -2.714 -4.525 1.449) 5.472 8.269 ( -0.673 12.348 8.855) 15.210 8.609 ( -5.935 9.494 15.063) 18.768 9.215 ( 7.457 3.090 -10.068) 12.904 9.478 ( 9.213 11.956 5.151) 15.949 9.922 ( -1.954 0.548 -10.979) 11.165 10.150 ( 1.172 6.858 -9.597) 11.853 10.387 ( -4.325 2.798 3.356) 6.148 10.460 ( -10.539 5.527 2.999) 12.272 10.931 ( 5.033 0.108 4.846) 6.988 11.111 ( 8.180 4.407 2.498) 9.621 11.206 ( 2.778 -3.286 -3.278) 5.410 11.466 ( -1.807 7.743 -3.316) 8.615 17.979 ( 1.516 -8.103 14.625) 16.788 18.562 ( 0.988 -1.488 -5.237) 5.533 18.731 ( -22.716 14.411 7.596) 27.953 18.869 ( -9.425 5.246 1.348) 10.870 19.181 ( -12.875 3.527 3.792) 13.878 19.258 ( -7.919 6.978 1.518) 10.663 19.416 ( -4.441 7.417 -1.456) 8.767 19.837 ( -5.605 1.149 -11.347) 12.708 20.313 ( 1.182 0.441 12.109) 12.174 20.716 ( 8.431 -15.527 2.289) 17.816 20.828 ( 2.085 -5.703 -0.725) 6.115 21.049 ( -2.228 3.057 -5.938) 7.041 21.140 ( 9.839 -0.769 1.187) 9.940 21.240 ( 1.273 4.557 0.641) 4.775 21.355 ( 1.307 5.955 -2.716) 6.674 21.416 ( 0.171 1.483 -2.589) 2.989 21.465 ( 7.503 4.800 1.992) 9.127 21.859 ( 4.496 -3.327 -1.694) 5.844 21.879 ( 10.684 -4.428 -6.696) 13.364 21.975 ( 11.736 -5.510 -7.979) 15.223 44.148 ( 1.061 0.781 3.033) 3.307 44.445 ( -5.302 -2.370 0.098) 5.808 44.660 ( 0.083 -9.019 8.312) 12.265 45.032 ( -5.875 -12.749 -1.431) 14.111 45.102 ( 5.880 -7.765 1.786) 9.902 45.230 ( 1.539 -5.403 -1.287) 5.763 45.316 ( 2.564 -1.107 1.257) 3.063 45.360 ( 0.666 4.916 -0.020) 4.961 45.617 ( 1.189 6.748 -0.193) 6.854 45.735 ( 7.382 6.386 -2.691) 10.125 46.003 ( -3.443 16.461 4.217) 17.338 46.545 ( -0.265 15.368 -15.801) 22.044 47.229 ( 1.211 -0.959 0.914) 1.795 47.340 ( 0.023 -2.723 -1.422) 3.072 47.388 ( -0.863 -3.102 1.687) 3.635 47.414 ( -0.363 -2.646 0.438) 2.707 ======================= Grid point 72 (27/60) ======================= q-point: ( 0.29 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 17.590 8.410 6.736) 20.628 1.121 ( 17.862 10.533 8.942) 22.582 1.734 ( 3.136 5.070 -8.818) 10.644 1.861 ( 22.394 14.854 14.020) 30.310 1.943 ( 4.547 6.683 -10.939) 13.602 2.013 ( -8.598 4.055 3.643) 10.181 2.067 ( -3.312 5.566 2.101) 6.809 2.326 ( -3.253 6.163 -1.064) 7.050 2.388 ( -4.608 -0.089 -0.151) 4.611 2.555 ( -1.114 -0.912 -3.727) 3.996 2.649 ( 2.413 -4.099 0.487) 4.781 2.699 ( -0.138 -3.149 2.125) 3.802 2.757 ( -0.918 -1.113 3.599) 3.877 2.853 ( 1.213 1.981 1.459) 2.743 2.910 ( 1.715 2.875 0.258) 3.357 2.980 ( 2.446 -1.772 0.660) 3.092 3.082 ( 0.320 -2.172 -0.685) 2.300 3.178 ( 1.061 -3.759 -1.870) 4.330 3.196 ( -2.589 -4.631 -3.568) 6.394 3.295 ( -0.135 -1.315 -4.350) 4.547 3.323 ( 5.587 1.431 -8.778) 10.503 3.438 ( 1.605 -0.706 -2.641) 3.170 3.614 ( -8.165 3.890 3.412) 9.666 3.670 ( 0.165 3.195 1.147) 3.399 3.732 ( 4.867 -4.621 -0.800) 6.759 3.784 ( 0.818 2.764 2.426) 3.768 3.844 ( -1.345 0.412 3.079) 3.385 3.964 ( 3.670 3.692 4.382) 6.805 4.053 ( 0.478 0.146 1.357) 1.446 4.130 ( -3.517 -2.263 -2.562) 4.905 4.245 ( -1.112 -1.277 0.364) 1.733 4.266 ( -5.316 2.309 2.623) 6.362 4.338 ( -2.318 0.431 0.031) 2.358 4.548 ( -2.552 -2.860 1.973) 4.311 4.626 ( 0.469 -2.356 -0.725) 2.510 4.686 ( -4.528 -2.822 -0.738) 5.386 8.269 ( 0.988 13.135 10.182) 16.649 8.492 ( -6.184 10.698 13.491) 18.295 9.377 ( 9.303 4.377 -10.710) 14.846 9.669 ( 8.481 12.203 -0.881) 14.887 9.892 ( 0.400 2.482 -6.635) 7.095 10.166 ( -0.115 6.703 -4.853) 8.276 10.265 ( -6.770 4.023 2.300) 8.204 10.314 ( -6.219 6.146 0.864) 8.786 11.019 ( 5.148 1.458 5.220) 7.475 11.233 ( 2.886 -3.711 -1.755) 5.018 11.286 ( 5.785 -1.489 1.395) 6.135 11.420 ( -2.718 4.960 -1.987) 5.995 18.047 ( 6.160 -1.911 11.065) 12.807 18.468 ( -5.205 7.750 3.466) 9.958 18.619 ( 2.066 4.181 -3.539) 5.854 18.672 ( -10.196 5.684 -0.617) 11.690 18.930 ( -10.674 -1.045 4.918) 11.799 19.173 ( -3.435 6.413 0.295) 7.281 19.313 ( -6.324 5.110 -1.337) 8.240 19.509 ( -21.213 1.729 -6.243) 22.180 20.524 ( 13.438 0.397 6.485) 14.926 20.807 ( 1.842 -11.432 1.812) 11.721 20.880 ( 3.206 -3.314 -0.611) 4.651 21.025 ( -1.217 2.082 -4.077) 4.736 21.259 ( 3.715 1.069 0.888) 3.966 21.285 ( 3.653 6.411 -0.507) 7.396 21.377 ( 0.852 5.320 -2.316) 5.865 21.400 ( -1.543 2.106 -1.522) 3.022 21.643 ( 10.112 0.327 3.516) 10.711 21.882 ( 0.435 -2.323 1.756) 2.944 21.990 ( 5.661 -4.446 -1.511) 7.355 22.195 ( 5.525 -8.880 -12.211) 16.078 44.176 ( 1.997 0.615 3.114) 3.750 44.352 ( -4.407 -0.901 2.776) 5.286 44.690 ( 2.677 -6.957 2.141) 7.755 44.924 ( -5.592 -11.105 -1.359) 12.508 45.182 ( 2.981 -7.651 0.721) 8.243 45.244 ( 0.243 -5.231 -0.415) 5.253 45.357 ( 1.629 1.413 0.004) 2.157 45.374 ( 0.730 4.656 -0.066) 4.713 45.664 ( 3.738 5.716 1.446) 6.981 45.885 ( 4.658 7.281 -2.607) 9.028 45.958 ( 2.133 12.707 3.486) 13.348 46.482 ( -6.208 10.805 -10.499) 16.295 47.256 ( 1.430 -1.425 0.088) 2.021 47.324 ( -1.370 -2.708 -0.067) 3.035 47.394 ( 0.975 -1.884 -0.089) 2.123 47.412 ( 0.173 -2.384 0.173) 2.396 ======================= Grid point 73 (28/60) ======================= q-point: ( 0.43 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 17.877 4.645 2.746) 18.674 1.455 ( 17.455 8.022 6.143) 20.168 1.646 ( -12.120 3.400 -1.317) 12.657 1.758 ( -14.525 6.856 5.370) 16.935 2.040 ( 3.991 3.841 -5.819) 8.034 2.091 ( 3.575 5.813 -6.471) 9.404 2.139 ( 3.059 7.517 -3.906) 9.007 2.239 ( -5.840 6.996 -6.270) 11.062 2.429 ( 10.363 3.697 4.336) 11.826 2.547 ( -1.444 -0.039 1.840) 2.339 2.680 ( 0.650 -3.240 2.086) 3.908 2.692 ( -0.472 -3.885 3.428) 5.203 2.787 ( 6.442 1.405 4.929) 8.232 2.876 ( 0.624 2.516 1.076) 2.807 2.926 ( 0.370 2.014 3.169) 3.773 3.013 ( -2.454 -2.775 -0.625) 3.757 3.071 ( -1.523 -1.584 -0.903) 2.376 3.115 ( -6.849 0.912 -0.406) 6.922 3.197 ( -0.030 -4.382 -0.622) 4.426 3.211 ( -2.561 -3.628 0.180) 4.445 3.402 ( 2.301 -0.026 -3.376) 4.086 3.424 ( -0.767 -1.608 -1.956) 2.646 3.629 ( 6.801 1.802 -7.298) 10.137 3.689 ( 1.035 2.616 0.487) 2.855 3.767 ( -1.098 3.587 2.598) 4.563 3.796 ( -3.539 2.124 -2.132) 4.645 3.855 ( 6.086 -3.999 -0.344) 7.291 3.965 ( -3.726 -1.587 1.614) 4.360 4.056 ( -0.574 -0.027 -0.004) 0.575 4.092 ( -1.073 -1.034 2.711) 3.094 4.192 ( -0.119 2.806 1.767) 3.318 4.224 ( -2.269 1.614 -0.986) 2.954 4.357 ( 4.607 -0.033 4.911) 6.734 4.467 ( -6.010 -1.549 5.247) 8.127 4.617 ( -0.718 -3.975 -2.723) 4.872 4.626 ( -1.584 -1.817 -2.781) 3.680 8.309 ( 3.255 13.350 11.468) 17.898 8.387 ( -4.988 12.403 12.519) 18.315 9.547 ( 8.721 5.847 -12.000) 15.945 9.684 ( -5.234 7.520 -11.774) 14.918 10.006 ( 9.378 9.129 1.434) 13.166 10.139 ( -3.053 8.404 -0.984) 8.995 10.179 ( -2.550 4.749 1.558) 5.611 10.203 ( -4.809 2.930 1.686) 5.878 11.126 ( 6.146 2.642 2.064) 7.002 11.226 ( -3.639 1.445 -0.262) 3.924 11.364 ( 2.388 -4.558 0.989) 5.239 11.388 ( -0.717 -2.756 0.463) 2.885 18.203 ( 10.088 0.449 6.694) 12.116 18.385 ( -7.565 0.199 3.321) 8.264 18.546 ( -0.463 7.730 0.682) 7.774 18.608 ( -4.500 7.708 0.262) 8.929 18.878 ( 6.557 -2.728 -1.649) 7.291 19.087 ( -11.448 -0.078 -4.287) 12.225 19.183 ( -3.439 5.172 0.598) 6.240 19.225 ( -6.065 6.244 -1.777) 8.884 20.720 ( 7.396 -2.522 3.554) 8.585 20.805 ( -2.080 -6.386 2.209) 7.070 20.939 ( 3.026 -1.071 -0.752) 3.297 20.991 ( -2.401 0.796 -1.858) 3.139 21.316 ( 2.690 2.324 -0.141) 3.557 21.345 ( 1.941 4.193 -1.291) 4.797 21.366 ( -1.538 3.232 -0.838) 3.676 21.380 ( -0.662 4.900 -1.560) 5.185 21.799 ( 6.160 -1.566 3.387) 7.202 21.871 ( -1.891 -2.117 2.527) 3.801 22.107 ( 6.372 -4.889 -3.416) 8.728 22.204 ( -3.332 -6.328 -6.749) 9.833 44.221 ( 2.776 0.329 3.169) 4.226 44.279 ( -3.483 -0.124 3.109) 4.671 44.750 ( 3.711 -7.907 -0.087) 8.735 44.828 ( -4.651 -9.446 -1.007) 10.577 45.222 ( 1.486 -6.248 0.267) 6.428 45.241 ( -0.570 -5.466 -0.042) 5.496 45.378 ( 0.657 3.719 -0.364) 3.794 45.383 ( 0.115 4.239 -0.281) 4.250 45.748 ( 4.994 6.336 2.370) 8.409 45.840 ( -4.663 8.286 2.439) 9.816 46.131 ( 11.207 8.546 -3.283) 14.471 46.330 ( -9.794 9.024 -6.268) 14.719 47.279 ( 1.063 -1.892 -0.394) 2.206 47.299 ( -1.223 -2.260 -0.294) 2.586 47.411 ( 0.714 -1.807 -0.203) 1.953 47.416 ( 0.111 -1.992 -0.096) 1.997 ======================= Grid point 77 (29/60) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 0.000 21.069 9.315) 23.037 1.084 ( 0.000 20.886 10.130) 23.213 1.698 ( 0.000 26.371 8.481) 27.701 1.832 ( 0.000 13.985 -1.436) 14.058 1.930 ( 0.000 6.998 -14.587) 16.179 2.141 ( 0.000 5.188 8.582) 10.028 2.371 ( 0.000 -1.054 4.134) 4.266 2.477 ( 0.000 10.539 1.321) 10.621 2.516 ( 0.000 -4.158 1.874) 4.561 2.521 ( 0.000 -3.123 0.898) 3.250 2.624 ( 0.000 -3.407 0.991) 3.548 2.741 ( 0.000 7.840 -2.889) 8.355 2.808 ( 0.000 -3.265 3.856) 5.053 2.808 ( 0.000 -1.598 2.113) 2.649 2.869 ( 0.000 -0.165 -1.361) 1.371 2.924 ( 0.000 -3.884 -3.863) 5.478 2.964 ( 0.000 2.660 -4.455) 5.189 2.978 ( 0.000 -8.031 -2.039) 8.285 3.142 ( 0.000 -6.627 1.347) 6.762 3.213 ( 0.000 3.624 -11.447) 12.007 3.269 ( 0.000 -5.084 -4.242) 6.621 3.393 ( 0.000 -1.093 -7.178) 7.261 3.612 ( 0.000 1.232 -0.243) 1.256 3.660 ( 0.000 -4.865 6.535) 8.147 3.794 ( 0.000 0.908 7.243) 7.300 3.802 ( 0.000 2.521 -2.903) 3.844 3.909 ( 0.000 -0.273 2.032) 2.050 3.926 ( 0.000 2.739 2.990) 4.055 4.093 ( 0.000 -5.883 -1.703) 6.124 4.265 ( 0.000 2.175 1.516) 2.651 4.320 ( 0.000 3.621 -8.378) 9.126 4.339 ( 0.000 -5.046 -1.906) 5.394 4.341 ( 0.000 -7.589 3.845) 8.507 4.431 ( 0.000 -2.187 -0.696) 2.295 4.618 ( 0.000 3.067 2.597) 4.019 4.721 ( 0.000 -1.130 4.239) 4.387 8.554 ( 0.000 14.348 2.378) 14.543 8.909 ( 0.000 13.956 17.234) 22.176 9.158 ( 0.000 -0.401 -9.380) 9.389 9.658 ( 0.000 12.502 6.495) 14.088 9.960 ( 0.000 3.996 -8.657) 9.535 10.276 ( 0.000 6.526 -6.912) 9.506 10.493 ( 0.000 3.979 6.009) 7.207 10.754 ( 0.000 13.482 -0.445) 13.489 10.913 ( 0.000 4.917 -4.446) 6.629 11.125 ( 0.000 -2.134 -5.162) 5.585 11.212 ( 0.000 8.775 9.062) 12.614 11.649 ( 0.000 7.960 -3.522) 8.704 17.885 ( 0.000 0.798 8.507) 8.544 18.470 ( 0.000 -5.288 -6.719) 8.550 18.982 ( 0.000 1.589 6.835) 7.018 19.213 ( 0.000 3.853 -0.875) 3.951 19.492 ( 0.000 15.443 1.171) 15.487 19.623 ( 0.000 5.423 0.952) 5.506 19.639 ( 0.000 11.726 -2.329) 11.955 19.798 ( 0.000 4.319 -2.858) 5.179 20.243 ( 0.000 -10.522 4.186) 11.324 20.391 ( 0.000 -10.515 5.813) 12.015 20.677 ( 0.000 -7.103 -1.237) 7.210 20.899 ( 0.000 -0.962 2.113) 2.322 21.175 ( 0.000 1.656 -2.701) 3.168 21.239 ( 0.000 3.558 -6.666) 7.556 21.457 ( 0.000 4.811 -4.309) 6.458 21.467 ( 0.000 5.797 -0.960) 5.876 21.522 ( 0.000 4.497 0.719) 4.554 21.681 ( 0.000 1.206 -3.844) 4.029 21.760 ( 0.000 -4.560 2.428) 5.166 21.841 ( 0.000 -4.885 0.530) 4.914 44.168 ( 0.000 2.215 1.933) 2.940 44.452 ( 0.000 -2.767 -4.749) 5.496 44.471 ( 0.000 -5.885 8.224) 10.113 44.810 ( 0.000 -13.672 -2.061) 13.826 45.007 ( 0.000 0.243 2.544) 2.556 45.146 ( 0.000 -1.391 -2.053) 2.480 45.254 ( 0.000 -1.644 3.342) 3.724 45.421 ( 0.000 1.177 -1.286) 1.743 45.759 ( 0.000 7.985 0.051) 7.985 45.823 ( 0.000 10.138 -1.465) 10.244 46.374 ( 0.000 15.608 3.157) 15.924 46.781 ( 0.000 7.638 -9.006) 11.809 47.196 ( 0.000 -1.417 0.814) 1.634 47.272 ( 0.000 -3.913 -0.943) 4.025 47.316 ( 0.000 -4.359 1.161) 4.511 47.350 ( 0.000 -4.080 -0.164) 4.084 ======================= Grid point 78 (30/60) ======================= q-point: ( 0.14 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 3.839 19.952 9.609) 22.475 1.157 ( 9.055 19.083 8.284) 22.689 1.804 ( 5.175 11.517 -6.687) 14.288 1.918 ( 12.556 23.674 10.048) 28.619 1.974 ( 4.959 7.839 -12.609) 15.653 2.149 ( 0.137 4.807 7.972) 9.310 2.360 ( -4.434 3.899 2.410) 6.377 2.404 ( -2.910 4.266 2.994) 5.969 2.475 ( -3.528 -2.589 0.917) 4.471 2.514 ( -0.776 -4.379 1.976) 4.867 2.662 ( 0.665 3.295 -4.447) 5.575 2.691 ( -3.075 1.163 0.015) 3.288 2.745 ( -1.396 0.276 2.035) 2.483 2.846 ( 1.280 -1.727 1.475) 2.607 2.887 ( 2.215 -2.383 1.504) 3.584 2.909 ( -1.229 -0.994 -4.502) 4.772 3.008 ( 1.928 -1.859 -1.145) 2.913 3.055 ( 5.842 -5.750 -1.297) 8.299 3.147 ( 1.808 -5.210 2.780) 6.176 3.204 ( -2.114 -3.158 -6.102) 7.189 3.304 ( 3.891 3.280 -12.095) 13.122 3.387 ( 0.193 -1.004 -5.707) 5.798 3.599 ( -0.264 -1.456 0.186) 1.492 3.667 ( -0.776 -3.392 5.005) 6.096 3.805 ( 2.059 1.437 -2.124) 3.289 3.828 ( 2.337 0.865 5.398) 5.946 3.876 ( -4.334 1.622 3.515) 5.811 3.922 ( 0.365 1.852 3.711) 4.163 4.079 ( -1.436 -5.117 -1.501) 5.523 4.193 ( -4.896 2.700 -1.498) 5.789 4.250 ( -3.908 -2.936 1.090) 5.008 4.323 ( -1.755 -3.871 -0.974) 4.360 4.383 ( -0.556 0.572 -1.398) 1.610 4.462 ( 2.992 -4.477 -2.115) 5.785 4.609 ( -1.190 1.821 2.486) 3.303 4.712 ( -1.221 -0.589 3.371) 3.634 8.561 ( 0.889 15.617 3.314) 15.989 8.848 ( -4.606 14.303 13.858) 20.441 9.260 ( 9.125 1.144 -7.176) 11.664 9.763 ( 10.400 12.342 5.759) 17.136 9.948 ( -1.202 5.137 -8.420) 9.936 10.286 ( 0.890 6.296 -5.494) 8.403 10.456 ( -4.024 4.767 4.607) 7.755 10.669 ( -6.453 14.974 -3.626) 16.704 10.961 ( 3.333 3.035 0.890) 4.595 11.129 ( 0.978 -2.102 -3.832) 4.478 11.237 ( 2.055 5.200 6.392) 8.492 11.617 ( -3.466 7.107 -3.257) 8.552 17.927 ( 4.586 1.322 7.947) 9.270 18.503 ( 3.471 -4.507 -6.879) 8.926 18.858 ( -12.436 3.081 6.783) 14.497 19.037 ( -12.734 8.448 -0.347) 15.286 19.298 ( -18.693 8.286 2.904) 20.653 19.449 ( -6.318 11.622 0.466) 13.236 19.569 ( -8.402 5.848 0.220) 10.239 19.852 ( -8.233 1.542 -10.395) 13.350 20.342 ( 8.389 2.758 10.390) 13.636 20.427 ( 10.107 -12.825 4.835) 17.030 20.716 ( 5.034 -5.158 -2.732) 7.708 21.084 ( 10.681 -3.926 2.318) 11.613 21.125 ( -0.521 4.387 -5.739) 7.243 21.313 ( 3.774 2.256 -1.672) 4.704 21.463 ( -0.178 3.163 -1.297) 3.423 21.479 ( 0.946 6.028 -2.362) 6.543 21.553 ( 3.663 3.485 1.192) 5.195 21.776 ( 6.211 -4.733 -4.572) 9.049 21.789 ( 3.361 -4.347 1.276) 5.640 21.870 ( 5.170 -5.084 -1.854) 7.484 44.176 ( 0.864 2.101 2.025) 3.043 44.397 ( -3.427 -2.108 1.375) 4.252 44.513 ( 2.349 -5.672 1.622) 6.349 44.775 ( -3.326 -12.358 -1.622) 12.900 45.027 ( 2.241 -1.130 1.995) 3.206 45.162 ( 0.885 -1.704 -1.930) 2.723 45.284 ( 2.995 -2.035 2.653) 4.488 45.426 ( 0.482 0.975 -1.149) 1.582 45.766 ( 1.565 9.177 0.918) 9.355 45.899 ( 7.026 9.123 -2.163) 11.716 46.324 ( -4.739 15.497 3.661) 16.613 46.760 ( -2.809 7.225 -8.535) 11.530 47.204 ( 0.796 -1.554 0.705) 1.882 47.270 ( -0.312 -4.043 -0.378) 4.073 47.321 ( 0.754 -3.722 0.432) 3.822 47.347 ( -0.176 -3.990 -0.175) 3.998 ======================= Grid point 79 (31/60) ======================= q-point: ( 0.29 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( 11.408 15.136 6.876) 20.162 1.377 ( 13.790 15.038 6.267) 21.344 1.849 ( -0.202 6.637 -7.131) 9.744 2.074 ( 6.272 6.522 -11.612) 14.722 2.094 ( -6.838 5.173 6.241) 10.605 2.226 ( -2.531 10.386 1.719) 10.827 2.248 ( 12.664 19.536 5.828) 24.000 2.382 ( -0.698 -0.238 0.747) 1.049 2.425 ( -1.535 1.288 0.049) 2.004 2.513 ( 1.180 -2.089 3.493) 4.238 2.639 ( 0.327 3.451 -3.698) 5.069 2.661 ( -1.784 -0.065 -0.501) 1.854 2.741 ( 0.018 -0.927 1.704) 1.940 2.873 ( 0.084 -0.619 -1.695) 1.807 2.901 ( 2.344 -3.739 -1.724) 4.738 2.929 ( 0.855 -2.855 2.414) 3.835 3.022 ( -0.076 -3.222 0.575) 3.274 3.103 ( 0.787 -2.895 0.638) 3.068 3.169 ( -0.564 -0.156 -0.114) 0.597 3.235 ( 5.059 -5.361 0.148) 7.373 3.330 ( -0.845 0.125 -7.987) 8.033 3.452 ( 5.163 2.881 -6.335) 8.666 3.617 ( 2.064 -4.862 -0.201) 5.285 3.669 ( 1.972 -1.887 1.275) 3.013 3.720 ( -10.528 4.898 4.326) 12.391 3.824 ( -1.254 -1.181 2.931) 3.400 3.873 ( 3.659 2.798 -0.420) 4.626 3.997 ( 6.223 -0.161 3.272) 7.032 4.036 ( -3.294 -3.605 -1.453) 5.095 4.099 ( -6.012 -0.678 -2.369) 6.497 4.202 ( -0.866 -1.643 2.456) 3.079 4.278 ( -2.964 -2.560 0.999) 4.042 4.360 ( -0.804 1.916 -1.276) 2.438 4.494 ( 0.350 -2.574 -1.468) 2.984 4.568 ( -3.096 -0.934 2.073) 3.841 4.670 ( -3.212 0.278 1.653) 3.623 8.593 ( 2.572 18.221 5.375) 19.170 8.772 ( -3.492 17.286 11.863) 21.254 9.456 ( 11.296 2.893 -8.219) 14.266 9.911 ( -2.278 3.304 -9.054) 9.903 10.003 ( 13.383 16.083 4.169) 21.334 10.291 ( -0.799 5.955 -1.867) 6.292 10.357 ( -5.671 6.086 2.794) 8.775 10.556 ( -5.625 16.683 -4.322) 18.129 11.037 ( 5.556 0.090 3.267) 6.446 11.161 ( 2.274 -3.613 -1.765) 4.620 11.265 ( 0.513 -0.234 3.536) 3.580 11.520 ( -7.000 4.706 -2.471) 8.790 18.051 ( 8.535 2.216 6.738) 11.097 18.551 ( -3.294 1.007 -2.592) 4.311 18.681 ( 0.488 1.082 1.490) 1.905 18.823 ( -9.832 8.291 -0.768) 12.885 18.985 ( -14.524 7.423 3.650) 16.714 19.309 ( -8.907 5.427 -1.768) 10.579 19.392 ( -9.039 3.169 1.386) 9.678 19.587 ( -15.481 5.899 -6.023) 17.628 20.547 ( 10.310 2.224 6.771) 12.533 20.603 ( 7.514 -7.881 3.096) 11.321 20.832 ( 6.681 -0.944 -2.213) 7.101 21.081 ( -2.087 3.437 -3.676) 5.448 21.275 ( 7.093 0.049 0.399) 7.105 21.367 ( 2.284 1.687 -0.786) 2.946 21.450 ( -1.017 2.421 0.287) 2.642 21.490 ( 0.117 5.687 -1.474) 5.876 21.650 ( 6.229 0.406 2.412) 6.692 21.816 ( 0.538 -4.745 0.465) 4.798 21.881 ( 5.755 -5.592 -0.882) 8.072 22.015 ( 6.200 -8.436 -6.521) 12.335 44.199 ( 1.640 1.772 2.203) 3.268 44.336 ( -3.105 -0.543 2.065) 3.768 44.554 ( 2.105 -6.349 0.165) 6.691 44.706 ( -3.697 -10.331 -1.052) 11.023 45.078 ( 2.835 -2.737 0.872) 4.036 45.167 ( -0.241 -2.170 -1.285) 2.534 45.348 ( 3.471 -1.786 1.310) 4.118 45.434 ( 0.288 0.567 -0.789) 1.013 45.823 ( 4.423 10.245 2.000) 11.336 46.052 ( 7.796 8.892 -3.792) 12.419 46.229 ( -4.061 13.806 4.758) 15.157 46.666 ( -7.221 7.127 -6.679) 12.147 47.220 ( 0.788 -2.083 -0.038) 2.227 47.260 ( -0.733 -3.525 -0.149) 3.603 47.342 ( 1.264 -3.254 -0.125) 3.493 47.350 ( 0.624 -3.678 -0.053) 3.731 ======================= Grid point 80 (32/60) ======================= q-point: ( 0.43 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( 14.014 9.748 3.633) 17.453 1.639 ( 12.499 10.404 4.356) 16.835 1.753 ( -8.755 7.127 0.007) 11.289 1.905 ( -12.221 8.115 4.951) 15.482 2.170 ( 4.013 8.843 -6.287) 11.568 2.225 ( 2.519 6.751 -6.533) 9.727 2.287 ( -1.653 5.905 -5.402) 8.172 2.360 ( -4.666 3.083 -5.472) 7.825 2.513 ( 5.199 3.928 3.321) 7.314 2.545 ( 1.142 -0.049 4.288) 4.438 2.633 ( -0.144 -0.614 0.734) 0.968 2.657 ( -1.496 1.572 0.474) 2.221 2.820 ( 9.440 1.568 0.011) 9.569 2.882 ( 0.885 -1.398 -2.687) 3.156 2.923 ( -0.895 -3.830 1.399) 4.175 2.935 ( -0.067 -4.737 -0.821) 4.808 3.030 ( 3.504 -0.298 0.676) 3.581 3.121 ( -0.494 1.317 1.264) 1.891 3.176 ( 1.212 2.508 4.894) 5.631 3.254 ( -5.186 2.104 2.008) 5.946 3.327 ( 1.714 -5.276 -1.733) 5.812 3.402 ( -8.143 1.533 2.956) 8.797 3.636 ( 3.477 -1.645 -2.872) 4.801 3.683 ( -0.051 -5.046 -0.903) 5.127 3.734 ( 6.417 -0.331 -2.891) 7.046 3.827 ( 1.244 0.582 3.074) 3.367 3.904 ( -2.709 3.477 -4.469) 6.277 3.951 ( -4.883 -0.342 -2.537) 5.513 4.021 ( 1.763 -3.356 1.754) 4.177 4.084 ( -0.398 0.359 -0.277) 0.603 4.187 ( 0.634 -3.129 3.396) 4.661 4.229 ( -2.236 -2.448 0.465) 3.348 4.379 ( 2.997 2.354 1.954) 4.283 4.458 ( -4.516 1.576 3.233) 5.773 4.542 ( 1.647 -2.771 -1.405) 3.516 4.601 ( -3.926 -0.526 -0.313) 3.974 8.651 ( 3.400 20.174 7.818) 21.902 8.712 ( -3.149 19.954 10.129) 22.598 9.664 ( 10.586 4.856 -10.342) 15.576 9.830 ( -6.777 5.873 -11.001) 14.193 10.209 ( 5.382 8.165 2.579) 10.114 10.270 ( -3.535 5.350 1.820) 6.666 10.301 ( 5.563 13.474 1.235) 14.629 10.445 ( -6.999 17.063 -1.031) 18.471 11.173 ( 8.242 -0.171 0.932) 8.296 11.212 ( 3.596 -4.039 0.553) 5.436 11.251 ( -1.873 -4.580 1.657) 5.219 11.363 ( -9.478 1.138 -1.044) 9.603 18.232 ( 10.445 2.637 5.514) 12.102 18.417 ( -8.815 2.825 3.669) 9.957 18.698 ( -1.585 6.696 -0.182) 6.883 18.760 ( -7.152 2.548 1.741) 7.789 18.847 ( 10.728 4.201 -4.412) 12.337 19.091 ( -13.769 0.654 -4.566) 14.521 19.298 ( -0.796 5.867 1.027) 6.009 19.362 ( -7.839 6.614 -1.658) 10.390 20.680 ( 3.872 -0.537 4.008) 5.599 20.695 ( 2.210 -3.300 3.123) 5.053 20.947 ( 5.404 2.038 -1.941) 6.093 21.030 ( -3.537 3.156 -2.569) 5.392 21.364 ( 2.801 1.816 -0.114) 3.340 21.393 ( -0.159 0.912 -0.840) 1.250 21.444 ( 1.205 3.027 0.814) 3.358 21.477 ( -1.517 4.434 -0.569) 4.721 21.757 ( 4.595 -2.496 2.427) 5.765 21.811 ( -1.322 -4.037 1.583) 4.533 21.990 ( 5.423 -6.077 -2.668) 8.570 22.058 ( -1.230 -7.577 -4.698) 9.000 44.236 ( 2.245 1.248 2.323) 3.463 44.282 ( -2.695 0.511 2.290) 3.573 44.595 ( 2.349 -7.389 -0.494) 7.769 44.644 ( -2.983 -8.715 -0.774) 9.244 45.125 ( 2.076 -3.020 -0.059) 3.665 45.154 ( -1.147 -2.689 -0.728) 3.013 45.403 ( 2.272 -0.806 0.393) 2.443 45.431 ( -0.765 0.039 -0.278) 0.815 45.925 ( 6.337 11.169 2.263) 13.039 46.047 ( -6.135 12.035 0.983) 13.544 46.308 ( 10.196 8.387 -1.165) 13.253 46.502 ( -10.023 7.475 -4.267) 13.212 47.233 ( 0.622 -2.544 -0.509) 2.668 47.245 ( -0.757 -2.936 -0.432) 3.062 47.361 ( 0.652 -3.165 -0.069) 3.232 47.363 ( 0.447 -3.319 -0.026) 3.350 ======================= Grid point 84 (33/60) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 0.000 20.347 5.830) 21.166 1.487 ( 0.000 20.012 6.599) 21.072 1.986 ( 0.000 11.102 -6.901) 13.072 2.069 ( 0.000 6.923 -10.453) 12.538 2.242 ( 0.000 4.347 4.938) 6.579 2.308 ( 0.000 24.179 9.335) 25.919 2.324 ( 0.000 -4.119 2.284) 4.710 2.413 ( 0.000 -6.588 2.329) 6.987 2.435 ( 0.000 -3.368 2.446) 4.162 2.560 ( 0.000 -2.733 0.650) 2.809 2.686 ( 0.000 7.774 -0.024) 7.774 2.713 ( 0.000 -5.483 2.417) 5.991 2.733 ( 0.000 -4.254 -0.821) 4.332 2.819 ( 0.000 -4.678 0.938) 4.771 2.854 ( 0.000 0.246 -0.417) 0.485 2.883 ( 0.000 -2.750 -3.493) 4.446 2.892 ( 0.000 2.839 -1.798) 3.360 2.979 ( 0.000 0.707 0.596) 0.925 3.034 ( 0.000 -3.274 1.412) 3.566 3.198 ( 0.000 -1.918 -2.805) 3.398 3.264 ( 0.000 -3.739 -8.375) 9.172 3.388 ( 0.000 4.743 -11.542) 12.479 3.553 ( 0.000 -4.933 7.504) 8.981 3.632 ( 0.000 -0.501 0.163) 0.527 3.753 ( 0.000 -4.916 7.442) 8.919 3.824 ( 0.000 -0.153 -2.628) 2.632 3.898 ( 0.000 -1.707 -3.320) 3.733 3.969 ( 0.000 0.901 1.627) 1.860 4.022 ( 0.000 0.177 1.124) 1.138 4.208 ( 0.000 -4.256 0.909) 4.352 4.231 ( 0.000 -5.496 -8.516) 10.135 4.321 ( 0.000 3.072 3.768) 4.861 4.332 ( 0.000 -2.434 -3.507) 4.269 4.414 ( 0.000 0.305 1.475) 1.506 4.682 ( 0.000 2.889 3.019) 4.179 4.717 ( 0.000 0.412 4.046) 4.067 8.789 ( 0.000 9.434 -2.648) 9.798 9.120 ( 0.000 -3.316 -7.827) 8.501 9.191 ( 0.000 13.877 14.406) 20.002 9.718 ( 0.000 -3.917 2.088) 4.438 10.193 ( 0.000 16.060 -0.813) 16.081 10.390 ( 0.000 5.500 -3.814) 6.693 10.625 ( 0.000 9.226 6.888) 11.514 11.005 ( 0.000 4.183 -3.562) 5.495 11.036 ( 0.000 12.073 -6.627) 13.772 11.077 ( 0.000 -3.182 -3.458) 4.699 11.371 ( 0.000 8.619 8.679) 12.231 11.764 ( 0.000 3.063 -3.261) 4.474 17.949 ( 0.000 5.126 3.646) 6.290 18.349 ( 0.000 -6.846 -5.701) 8.909 19.029 ( 0.000 3.440 5.564) 6.542 19.280 ( 0.000 2.058 -1.511) 2.553 19.716 ( 0.000 -3.941 0.731) 4.008 19.747 ( 0.000 7.335 -0.803) 7.379 19.822 ( 0.000 17.068 1.058) 17.100 19.947 ( 0.000 11.049 -2.924) 11.429 20.035 ( 0.000 -10.312 3.860) 11.011 20.292 ( 0.000 -1.439 1.032) 1.771 20.573 ( 0.000 -2.306 4.880) 5.397 20.848 ( 0.000 -4.270 3.181) 5.325 21.207 ( 0.000 1.733 -4.641) 4.954 21.307 ( 0.000 2.596 -7.898) 8.314 21.512 ( 0.000 -1.876 3.001) 3.539 21.547 ( 0.000 4.074 -3.061) 5.095 21.587 ( 0.000 3.272 -1.841) 3.755 21.646 ( 0.000 -4.518 -1.200) 4.674 21.714 ( 0.000 0.070 1.618) 1.620 21.755 ( 0.000 -3.102 1.853) 3.613 44.223 ( 0.000 3.353 0.823) 3.452 44.400 ( 0.000 -1.928 3.576) 4.062 44.404 ( 0.000 -2.077 -3.227) 3.838 44.583 ( 0.000 -9.583 -1.306) 9.672 45.021 ( 0.000 1.216 1.837) 2.203 45.128 ( 0.000 -1.077 -1.254) 1.654 45.236 ( 0.000 0.313 2.666) 2.685 45.404 ( 0.000 -2.363 -1.615) 2.862 45.933 ( 0.000 8.800 0.530) 8.816 45.997 ( 0.000 7.263 -0.983) 7.330 46.641 ( 0.000 11.543 2.324) 11.774 46.884 ( 0.000 3.335 -3.615) 4.918 47.165 ( 0.000 -1.581 0.544) 1.672 47.196 ( 0.000 -3.463 -0.186) 3.468 47.234 ( 0.000 -3.969 0.114) 3.971 47.267 ( 0.000 -4.219 -0.589) 4.260 ======================= Grid point 85 (34/60) ======================= q-point: ( 0.14 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 1.875 19.739 6.347) 20.819 1.536 ( 5.902 19.029 5.354) 20.630 1.992 ( 0.281 8.908 -6.313) 10.922 2.105 ( 3.596 6.954 -9.967) 12.674 2.241 ( -0.130 3.528 4.611) 5.807 2.325 ( -0.598 -2.515 1.744) 3.118 2.374 ( -3.059 -5.708 1.290) 6.603 2.400 ( 6.640 12.356 5.260) 14.981 2.466 ( 5.615 3.994 4.706) 8.344 2.538 ( -2.922 4.663 0.591) 5.535 2.674 ( -0.741 -1.807 1.021) 2.204 2.703 ( -0.169 0.965 -0.286) 1.021 2.757 ( 1.991 -2.756 -0.672) 3.466 2.787 ( -2.157 1.130 -0.897) 2.595 2.859 ( -0.840 -2.584 -0.437) 2.752 2.893 ( -0.944 1.003 -2.483) 2.840 2.938 ( 5.339 -5.616 0.081) 7.749 2.997 ( 2.277 0.829 1.779) 3.006 3.046 ( 1.379 -4.349 2.414) 5.162 3.156 ( -1.685 -1.169 -3.904) 4.410 3.328 ( 2.799 -4.963 -6.349) 8.530 3.409 ( 3.386 5.331 -9.918) 11.758 3.552 ( 0.424 -2.847 2.099) 3.563 3.641 ( -0.554 0.263 2.925) 2.988 3.761 ( -0.065 -4.894 3.252) 5.876 3.793 ( -0.270 -2.354 0.277) 2.385 3.908 ( -0.013 -1.030 -1.047) 1.468 3.949 ( -1.256 -1.268 -0.138) 1.790 4.015 ( -0.706 1.293 2.548) 2.944 4.162 ( -3.542 -3.004 -0.141) 4.647 4.238 ( -0.543 -3.992 -5.700) 6.980 4.244 ( -4.912 0.948 1.712) 5.288 4.398 ( 3.581 -1.706 -1.841) 4.373 4.406 ( -0.606 0.793 0.958) 1.384 4.658 ( -2.365 2.623 2.985) 4.624 4.713 ( -0.817 0.346 3.395) 3.509 8.826 ( 3.829 11.086 -1.563) 11.832 9.112 ( 0.347 8.868 1.918) 9.080 9.281 ( 8.303 3.821 3.579) 9.816 9.792 ( 6.737 -4.620 0.195) 8.171 10.221 ( 3.444 16.407 -0.061) 16.765 10.393 ( 0.195 5.026 -3.267) 5.998 10.595 ( -3.198 9.362 5.735) 11.435 10.946 ( -3.993 9.682 -6.035) 12.088 11.043 ( -0.738 3.019 -2.139) 3.773 11.090 ( 0.967 0.434 -3.306) 3.472 11.341 ( -3.016 6.199 8.126) 10.657 11.717 ( -5.010 2.426 -3.153) 6.398 17.995 ( 4.897 5.123 3.547) 7.925 18.392 ( 4.518 -6.598 -5.771) 9.861 18.921 ( -10.344 3.806 5.654) 12.387 19.156 ( -11.010 3.074 -1.172) 11.491 19.480 ( -18.492 9.676 1.072) 20.898 19.572 ( -11.943 -1.411 0.400) 12.032 19.680 ( -10.695 8.930 1.424) 14.006 19.897 ( -9.813 -1.462 -5.333) 11.263 20.281 ( 16.903 1.520 1.928) 17.080 20.419 ( 11.378 3.882 5.078) 13.050 20.659 ( 9.309 -0.018 2.118) 9.547 20.986 ( 10.853 -6.186 3.179) 12.890 21.208 ( 0.483 3.650 -5.816) 6.883 21.336 ( 1.865 0.195 -5.036) 5.374 21.492 ( -1.373 -0.730 2.498) 2.943 21.583 ( 0.631 3.914 -2.022) 4.450 21.600 ( 3.197 1.919 -0.987) 3.857 21.663 ( 1.431 -6.202 -0.607) 6.394 21.742 ( 3.044 -0.494 0.449) 3.117 21.789 ( 3.972 -3.074 0.119) 5.024 44.228 ( 0.601 3.206 0.912) 3.387 44.370 ( -1.818 -0.683 0.874) 2.129 44.429 ( 1.272 -3.244 -0.481) 3.517 44.567 ( -1.599 -8.886 -1.023) 9.087 45.032 ( 1.298 1.305 1.577) 2.423 45.149 ( 1.515 -0.296 -2.031) 2.551 45.248 ( 1.555 -0.987 2.939) 3.468 45.406 ( 0.130 -2.543 -1.432) 2.921 45.956 ( 2.643 9.356 0.965) 9.769 46.058 ( 6.021 6.593 -1.436) 9.044 46.593 ( -4.897 11.750 2.628) 12.998 46.854 ( -3.349 2.767 -3.639) 5.667 47.172 ( 0.601 -1.535 0.315) 1.678 47.197 ( 0.165 -3.114 0.015) 3.118 47.245 ( 1.134 -3.886 -0.028) 4.048 47.266 ( 0.063 -4.101 -0.503) 4.132 ======================= Grid point 86 (35/60) ======================= q-point: ( 0.29 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( 6.151 17.051 5.310) 18.888 1.684 ( 9.457 15.631 4.002) 18.703 1.977 ( -2.453 6.025 -3.215) 7.257 2.192 ( 4.983 5.454 -7.909) 10.822 2.210 ( -4.156 6.573 3.335) 8.461 2.296 ( -0.729 -3.187 -1.312) 3.522 2.337 ( -1.083 -5.053 -0.733) 5.220 2.446 ( -1.450 3.688 -0.892) 4.062 2.516 ( 3.001 4.023 2.935) 5.814 2.623 ( 0.961 8.695 3.754) 9.520 2.647 ( 1.688 -0.710 0.323) 1.860 2.719 ( 0.692 -0.250 -2.296) 2.411 2.744 ( -0.520 2.363 -1.779) 3.003 2.816 ( 4.175 2.519 -0.733) 4.931 2.846 ( -0.026 -4.211 0.697) 4.268 2.871 ( -0.693 -0.074 -2.690) 2.779 2.985 ( 1.496 -0.642 2.015) 2.590 3.078 ( 4.700 -1.565 1.881) 5.299 3.101 ( 4.859 -6.115 3.182) 8.434 3.158 ( 1.588 -0.336 -1.555) 2.248 3.339 ( -1.688 -0.010 -5.203) 5.470 3.490 ( 4.219 -2.015 -1.194) 4.826 3.571 ( -0.024 2.387 -3.721) 4.421 3.631 ( 3.341 -1.303 0.539) 3.626 3.751 ( -2.472 -2.696 3.146) 4.825 3.809 ( -1.769 -1.573 0.394) 2.400 3.879 ( 0.240 0.114 1.107) 1.138 3.935 ( -1.546 -6.326 -0.150) 6.514 4.016 ( 2.043 2.336 2.553) 4.018 4.076 ( -5.656 -0.729 0.243) 5.708 4.175 ( -1.951 -1.804 0.808) 2.777 4.204 ( -3.238 -3.682 -3.138) 5.821 4.403 ( 0.607 2.124 -0.230) 2.221 4.454 ( 2.648 -1.234 -1.462) 3.267 4.597 ( -4.064 2.577 2.641) 5.489 4.676 ( -3.214 0.130 2.372) 3.997 8.924 ( 6.390 14.974 0.873) 16.304 9.132 ( 1.225 18.034 5.914) 19.018 9.475 ( 12.008 -0.657 -3.413) 12.501 9.901 ( 3.288 -3.387 -4.098) 6.251 10.329 ( 5.978 13.712 -0.071) 14.958 10.399 ( 2.206 5.474 -0.480) 5.921 10.515 ( -4.600 10.012 4.032) 11.733 10.874 ( -4.063 12.614 -6.178) 14.621 11.033 ( 0.547 -0.496 1.477) 1.651 11.097 ( -0.051 -1.178 -1.296) 1.752 11.276 ( -3.289 1.433 5.765) 6.790 11.582 ( -9.261 1.068 -2.707) 9.707 18.124 ( 8.692 5.027 3.501) 10.634 18.504 ( 6.547 -5.320 -5.665) 10.162 18.717 ( -9.672 3.400 5.612) 11.687 18.940 ( -11.066 2.543 -0.869) 11.387 19.174 ( -13.374 10.555 1.428) 17.098 19.344 ( -11.921 1.315 -1.098) 12.043 19.484 ( -9.106 3.854 1.296) 9.972 19.658 ( -13.867 -0.436 -4.219) 14.501 20.554 ( 11.966 3.936 2.124) 12.774 20.624 ( 9.193 5.633 4.359) 11.630 20.855 ( 10.340 2.968 0.381) 10.764 21.133 ( 2.492 0.012 -0.112) 2.494 21.250 ( 5.266 -1.546 -2.829) 6.174 21.355 ( 0.322 -2.663 -2.494) 3.662 21.464 ( -1.618 -1.088 2.714) 3.342 21.568 ( -2.039 0.011 -1.574) 2.576 21.669 ( 3.628 1.582 1.563) 4.256 21.703 ( 2.886 -3.365 0.100) 4.435 21.818 ( 4.808 -1.296 -1.067) 5.093 21.885 ( 4.972 -4.942 -2.615) 7.482 44.245 ( 1.136 2.789 1.128) 3.216 44.335 ( -1.871 0.480 1.172) 2.259 44.450 ( 1.076 -4.308 -0.612) 4.482 44.531 ( -1.997 -7.503 -0.596) 7.787 45.068 ( 2.333 1.347 0.774) 2.803 45.161 ( -0.265 1.270 -1.819) 2.234 45.297 ( 3.366 -3.128 1.892) 4.969 45.406 ( -0.179 -2.982 -1.029) 3.159 46.032 ( 5.392 10.289 1.660) 11.734 46.201 ( 8.653 5.767 -2.578) 10.713 46.477 ( -6.918 11.285 3.470) 13.684 46.757 ( -7.025 2.293 -3.304) 8.095 47.182 ( 0.455 -1.616 -0.254) 1.698 47.200 ( 0.054 -2.251 0.002) 2.251 47.271 ( 1.440 -3.837 -0.021) 4.099 47.276 ( 0.932 -3.828 -0.196) 3.945 ======================= Grid point 87 (36/60) ======================= q-point: ( 0.43 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 8.387 11.961 3.505) 15.023 1.834 ( 0.634 8.901 1.903) 9.124 1.925 ( 2.718 10.360 1.859) 10.871 2.077 ( -8.757 8.984 2.471) 12.787 2.279 ( 2.710 -1.862 -2.492) 4.126 2.314 ( -0.945 -3.463 -1.839) 4.033 2.330 ( 3.855 5.032 -7.107) 9.523 2.407 ( -2.989 5.124 -4.446) 7.413 2.580 ( 1.348 3.508 1.831) 4.180 2.590 ( -0.728 4.416 3.178) 5.489 2.636 ( 0.180 0.342 -1.906) 1.945 2.690 ( -3.271 -0.394 0.390) 3.318 2.776 ( 1.874 -6.873 -0.743) 7.162 2.808 ( -1.594 -6.629 -0.559) 6.841 2.875 ( 1.228 1.283 -4.429) 4.772 2.898 ( -0.198 3.459 -4.957) 6.048 3.081 ( 6.970 1.407 3.119) 7.764 3.137 ( 0.843 -1.608 1.922) 2.644 3.186 ( 2.493 -4.369 0.763) 5.088 3.241 ( 2.955 -2.465 0.201) 3.853 3.283 ( 4.094 7.191 2.959) 8.788 3.522 ( -10.795 7.814 3.011) 13.662 3.569 ( 3.066 -3.127 1.171) 4.533 3.616 ( -2.253 -1.220 0.632) 2.639 3.742 ( 4.557 0.214 -1.773) 4.894 3.799 ( 1.823 -3.572 4.215) 5.818 3.872 ( -2.630 -4.858 -2.936) 6.256 3.932 ( -3.398 -4.361 1.197) 5.657 3.990 ( 3.093 1.551 -2.739) 4.413 4.085 ( 2.167 -0.543 -1.209) 2.540 4.110 ( -4.014 -3.307 0.088) 5.202 4.155 ( -2.226 -3.876 0.223) 4.476 4.437 ( 3.087 3.046 0.625) 4.382 4.512 ( -1.621 2.510 1.215) 3.226 4.515 ( 0.971 0.109 0.747) 1.230 4.599 ( -4.758 0.031 1.197) 4.906 9.046 ( 6.078 19.276 3.612) 20.532 9.128 ( -2.299 21.405 5.845) 22.308 9.705 ( 11.929 -1.072 -7.313) 14.033 9.881 ( -5.810 -1.073 -7.600) 9.627 10.353 ( 0.910 7.466 1.474) 7.664 10.405 ( -4.023 8.407 1.636) 9.462 10.590 ( 10.902 12.526 1.691) 16.691 10.769 ( -7.704 13.395 -1.732) 15.549 11.074 ( 2.671 -5.461 0.982) 6.158 11.095 ( -0.162 -4.809 0.444) 4.833 11.256 ( 2.622 0.765 1.942) 3.351 11.391 ( -10.324 0.491 -1.450) 10.437 18.306 ( 10.371 4.788 3.750) 12.023 18.489 ( -8.515 4.396 2.725) 9.962 18.684 ( 4.790 -5.612 -1.268) 7.486 18.775 ( -6.229 -0.286 -0.684) 6.273 19.030 ( -0.554 10.444 -0.994) 10.506 19.139 ( -9.827 4.757 -2.436) 11.186 19.377 ( -1.600 1.564 0.375) 2.269 19.440 ( -8.274 0.647 -1.806) 8.493 20.714 ( 5.010 5.923 2.476) 8.143 20.736 ( 2.612 6.381 3.069) 7.547 21.017 ( 6.861 4.892 -0.782) 8.463 21.112 ( -3.395 5.142 -1.841) 6.431 21.343 ( 2.663 -4.949 0.062) 5.620 21.360 ( 0.328 -4.538 -0.579) 4.586 21.450 ( 1.353 -2.773 1.179) 3.303 21.511 ( -3.802 -2.894 -0.754) 4.837 21.730 ( 2.434 0.614 1.698) 3.030 21.745 ( 0.940 -0.392 1.046) 1.460 21.903 ( 3.727 -2.811 -2.030) 5.091 21.938 ( 0.394 -4.589 -2.741) 5.360 44.270 ( 1.539 2.169 1.332) 2.975 44.301 ( -1.780 1.408 1.367) 2.650 44.471 ( 1.213 -5.268 -0.574) 5.436 44.497 ( -1.637 -6.270 -0.475) 6.498 45.111 ( 2.163 1.487 -0.154) 2.629 45.145 ( -1.402 1.600 -0.984) 2.343 45.357 ( 2.741 -3.629 0.470) 4.572 45.394 ( -1.256 -3.438 -0.466) 3.690 46.151 ( 7.158 11.165 1.836) 13.389 46.280 ( -4.835 11.010 -0.486) 12.035 46.434 ( 6.902 4.304 0.853) 8.178 46.602 ( -9.282 2.576 -2.328) 9.910 47.190 ( 0.438 -1.500 -0.429) 1.621 47.198 ( -0.294 -1.676 -0.294) 1.727 47.292 ( 0.655 -3.793 0.036) 3.849 47.292 ( 0.587 -3.753 0.014) 3.799 ======================= Grid point 91 (37/60) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.000 16.699 4.039) 17.181 1.856 ( 0.000 17.420 4.490) 17.989 2.102 ( 0.000 -7.891 0.550) 7.911 2.152 ( 0.000 -10.491 2.025) 10.685 2.196 ( 0.000 7.150 -3.771) 8.084 2.276 ( 0.000 1.982 -3.282) 3.834 2.368 ( 0.000 1.196 1.164) 1.669 2.379 ( 0.000 -2.946 0.282) 2.959 2.515 ( 0.000 -1.692 -1.740) 2.427 2.529 ( 0.000 -2.530 0.774) 2.646 2.634 ( 0.000 -1.297 1.578) 2.043 2.665 ( 0.000 -3.531 0.039) 3.531 2.783 ( 0.000 10.591 -0.615) 10.609 2.801 ( 0.000 -2.249 -1.314) 2.605 2.805 ( 0.000 -2.732 2.169) 3.488 2.922 ( 0.000 -1.414 -1.575) 2.117 2.999 ( 0.000 13.298 7.434) 15.235 3.008 ( 0.000 0.985 -2.165) 2.379 3.013 ( 0.000 0.186 -1.723) 1.733 3.138 ( 0.000 -5.833 -2.285) 6.265 3.185 ( 0.000 1.554 -4.939) 5.177 3.367 ( 0.000 -10.742 -0.491) 10.753 3.515 ( 0.000 1.839 8.454) 8.651 3.602 ( 0.000 -4.819 4.129) 6.346 3.698 ( 0.000 4.444 -3.364) 5.574 3.794 ( 0.000 -3.190 -3.145) 4.480 3.889 ( 0.000 1.670 -4.642) 4.933 3.946 ( 0.000 -3.080 -2.711) 4.104 4.066 ( 0.000 3.061 -3.365) 4.549 4.134 ( 0.000 -4.127 -8.692) 9.622 4.195 ( 0.000 2.342 1.759) 2.929 4.264 ( 0.000 -4.000 0.730) 4.066 4.377 ( 0.000 2.419 4.170) 4.820 4.410 ( 0.000 -0.942 3.154) 3.292 4.722 ( 0.000 1.102 2.710) 2.925 4.727 ( 0.000 0.362 3.073) 3.094 8.936 ( 0.000 6.033 -5.067) 7.878 9.039 ( 0.000 -4.721 -6.525) 8.054 9.427 ( 0.000 10.215 9.106) 13.684 9.599 ( 0.000 -7.593 4.475) 8.814 10.444 ( 0.000 7.751 -0.764) 7.788 10.482 ( 0.000 2.808 -2.296) 3.627 10.819 ( 0.000 9.730 4.107) 10.561 10.981 ( 0.000 -6.570 0.179) 6.573 11.082 ( 0.000 3.670 -1.830) 4.101 11.139 ( 0.000 -0.738 -2.540) 2.645 11.580 ( 0.000 11.360 1.698) 11.487 11.748 ( 0.000 -4.932 -2.182) 5.394 18.069 ( 0.000 6.854 0.137) 6.855 18.209 ( 0.000 -7.330 -3.037) 7.934 19.122 ( 0.000 6.046 2.707) 6.625 19.246 ( 0.000 -5.491 -0.792) 5.548 19.695 ( 0.000 3.619 3.137) 4.790 19.824 ( 0.000 -7.481 2.476) 7.880 19.915 ( 0.000 6.700 -0.825) 6.751 20.040 ( 0.000 -3.207 -0.064) 3.208 20.132 ( 0.000 12.689 0.098) 12.689 20.274 ( 0.000 -1.670 -5.651) 5.892 20.604 ( 0.000 4.980 9.078) 10.354 20.735 ( 0.000 -7.065 4.795) 8.539 21.250 ( 0.000 2.931 -6.811) 7.415 21.312 ( 0.000 -2.293 -7.975) 8.298 21.488 ( 0.000 0.738 2.681) 2.781 21.543 ( 0.000 -4.495 0.598) 4.535 21.609 ( 0.000 1.812 -1.369) 2.271 21.624 ( 0.000 0.399 -0.816) 0.909 21.724 ( 0.000 0.282 0.748) 0.799 21.725 ( 0.000 -0.263 1.780) 1.800 44.297 ( 0.000 4.203 -0.496) 4.232 44.366 ( 0.000 -2.185 -2.121) 3.045 44.385 ( 0.000 0.355 1.363) 1.408 44.434 ( 0.000 -5.437 0.177) 5.439 45.053 ( 0.000 1.970 1.352) 2.389 45.094 ( 0.000 -2.143 0.525) 2.206 45.273 ( 0.000 3.112 0.437) 3.142 45.342 ( 0.000 -3.668 -0.973) 3.795 46.069 ( 0.000 4.398 0.214) 4.403 46.092 ( 0.000 2.048 -0.333) 2.075 46.823 ( 0.000 6.993 1.120) 7.082 46.907 ( 0.000 -1.399 -0.709) 1.569 47.148 ( 0.000 0.188 -0.147) 0.238 47.150 ( 0.000 -0.887 -0.119) 0.895 47.171 ( 0.000 -2.051 -0.051) 2.052 47.192 ( 0.000 -3.208 -0.471) 3.242 ======================= Grid point 92 (38/60) ======================= q-point: ( 0.14 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.862 ( 1.153 16.986 3.821) 17.449 1.878 ( 3.063 15.426 4.019) 16.233 2.088 ( -1.269 -3.629 0.186) 3.849 2.152 ( -0.139 -11.367 2.015) 11.545 2.219 ( 2.236 4.459 -3.052) 5.848 2.278 ( -0.252 -0.036 -2.921) 2.932 2.361 ( -0.035 2.103 0.315) 2.126 2.377 ( 0.437 -1.179 0.510) 1.356 2.524 ( 1.006 -3.100 -2.241) 3.955 2.556 ( 1.548 -5.139 -0.105) 5.368 2.654 ( 2.267 3.055 0.294) 3.815 2.709 ( 2.501 -1.974 -3.235) 4.541 2.783 ( -0.074 -0.215 1.904) 1.917 2.817 ( 2.300 1.435 0.232) 2.721 2.841 ( 3.379 0.166 0.625) 3.440 2.908 ( -0.650 1.770 -0.622) 1.985 2.972 ( -3.142 3.447 -0.301) 4.674 2.994 ( -1.890 -1.071 -0.089) 2.175 3.036 ( 3.179 7.743 6.123) 10.371 3.142 ( 1.880 -0.609 -2.053) 2.849 3.238 ( 4.652 -1.337 -5.662) 7.449 3.384 ( 1.886 -8.771 -0.373) 8.979 3.532 ( 1.841 1.091 5.995) 6.365 3.616 ( 0.498 -5.245 3.724) 6.452 3.718 ( 1.743 4.678 -2.193) 5.453 3.792 ( -0.831 0.606 -1.743) 2.024 3.846 ( -3.097 -2.092 -3.697) 5.257 3.900 ( -2.855 -4.002 -4.993) 7.007 4.072 ( 0.154 3.031 -0.125) 3.038 4.123 ( -1.051 -2.084 -2.442) 3.378 4.198 ( -0.971 0.580 -2.422) 2.673 4.233 ( -3.883 -1.930 0.891) 4.427 4.391 ( 1.951 0.881 2.122) 3.014 4.410 ( 0.382 -0.571 2.340) 2.439 4.699 ( -2.154 1.534 2.576) 3.692 4.716 ( -1.451 -0.240 2.738) 3.108 9.002 ( 6.838 7.263 -4.211) 10.828 9.117 ( 8.091 -4.341 -6.396) 11.190 9.467 ( 3.983 11.091 8.190) 14.351 9.660 ( 5.922 -8.512 3.088) 10.819 10.458 ( 1.554 6.533 -0.745) 6.756 10.482 ( -0.092 3.069 -2.186) 3.769 10.794 ( -2.659 10.128 3.805) 11.141 10.966 ( -1.776 -7.014 0.545) 7.256 11.061 ( -1.692 4.566 -1.452) 5.081 11.134 ( -0.491 -1.566 -1.986) 2.577 11.523 ( -5.858 11.056 1.723) 12.630 11.692 ( -5.866 -5.211 -2.176) 8.143 18.115 ( 4.815 6.819 0.163) 8.349 18.254 ( 4.754 -7.295 -3.019) 9.216 19.015 ( -10.102 5.771 3.143) 12.051 19.130 ( -10.744 -5.037 0.055) 11.866 19.604 ( -8.543 5.262 1.156) 10.100 19.650 ( -16.598 6.533 -0.646) 17.849 19.760 ( -14.015 -2.543 0.610) 14.257 19.779 ( -11.303 -5.770 0.908) 12.723 20.420 ( 17.232 8.117 -1.404) 19.100 20.490 ( 15.902 1.940 -3.044) 16.306 20.702 ( 9.497 4.377 8.274) 13.335 20.841 ( 9.335 -8.389 4.856) 13.458 21.265 ( 1.080 2.752 -6.485) 7.127 21.320 ( 0.207 -2.037 -6.676) 6.983 21.477 ( -1.351 0.418 2.909) 3.235 21.528 ( -1.956 -4.801 1.143) 5.308 21.639 ( 2.819 1.416 -0.863) 3.271 21.649 ( 3.497 0.990 -1.932) 4.116 21.741 ( 2.031 0.139 0.973) 2.256 21.752 ( 2.610 -0.827 0.746) 2.838 44.300 ( 0.237 4.002 -0.344) 4.024 44.364 ( -0.306 -1.102 -1.416) 1.820 44.382 ( -0.196 -0.709 0.824) 1.105 44.428 ( -0.613 -5.093 0.254) 5.136 45.071 ( 1.897 2.503 1.102) 3.328 45.122 ( 2.674 -2.422 0.007) 3.608 45.269 ( -0.365 2.939 0.605) 3.022 45.340 ( -0.255 -3.854 -0.893) 3.964 46.102 ( 3.603 5.010 0.360) 6.181 46.139 ( 4.816 1.325 -0.500) 5.020 46.779 ( -4.620 7.177 1.149) 8.613 46.867 ( -4.224 -1.756 -0.780) 4.641 47.153 ( 0.564 -0.102 -0.173) 0.599 47.161 ( 0.952 -0.446 -0.059) 1.053 47.181 ( 1.041 -2.206 0.018) 2.440 47.195 ( 0.382 -2.896 -0.372) 2.945 ======================= Grid point 93 (39/60) ======================= q-point: ( 0.29 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 2.394 15.272 3.116) 15.770 1.955 ( 4.508 10.954 2.730) 12.155 2.063 ( -1.133 1.016 0.599) 1.635 2.147 ( -0.361 -9.875 1.335) 9.972 2.253 ( 0.349 -0.803 -0.545) 1.031 2.290 ( 2.983 0.190 -3.921) 4.930 2.346 ( -1.529 6.326 0.294) 6.515 2.417 ( 2.723 -2.473 -1.010) 3.814 2.543 ( 0.775 -3.052 -2.612) 4.091 2.574 ( 1.154 -6.355 -0.953) 6.529 2.693 ( 0.646 4.010 -1.795) 4.441 2.719 ( -0.027 0.144 -3.376) 3.379 2.774 ( -2.225 2.222 1.554) 3.507 2.836 ( -2.425 6.176 -0.776) 6.680 2.881 ( -0.477 -0.810 -0.599) 1.115 2.928 ( 3.289 -0.353 -0.363) 3.328 2.955 ( 1.213 -6.462 -0.131) 6.576 2.964 ( 2.668 -2.538 0.999) 3.815 3.145 ( 7.317 6.238 4.402) 10.575 3.180 ( 0.807 1.531 -0.044) 1.731 3.336 ( 5.348 2.651 -3.699) 7.023 3.444 ( 4.724 -3.100 0.211) 5.654 3.585 ( 2.525 -2.717 0.219) 3.716 3.597 ( 0.452 -2.239 4.025) 4.628 3.715 ( -2.029 1.234 3.124) 3.924 3.785 ( -2.307 -2.002 -3.376) 4.553 3.818 ( 2.072 -1.049 -0.726) 2.433 3.874 ( -1.340 -2.211 -3.309) 4.199 4.071 ( -0.350 2.687 1.823) 3.266 4.084 ( -3.384 1.132 -0.064) 3.569 4.135 ( -4.945 -1.739 1.467) 5.444 4.147 ( -3.969 -2.372 -2.434) 5.225 4.433 ( 2.182 0.867 0.316) 2.369 4.442 ( 3.017 -0.257 -0.157) 3.032 4.643 ( -3.817 1.929 2.052) 4.743 4.670 ( -3.478 -0.820 2.175) 4.184 9.173 ( 10.958 10.498 -2.336) 15.354 9.321 ( 12.931 -2.869 -5.895) 14.498 9.549 ( 3.806 11.792 5.622) 13.606 9.775 ( 4.807 -9.499 -0.197) 10.648 10.477 ( 0.004 4.316 -1.218) 4.484 10.511 ( 4.316 2.355 -1.191) 5.059 10.724 ( -4.560 10.600 3.534) 12.068 10.908 ( -4.563 -7.407 0.442) 8.711 11.045 ( 0.537 4.861 0.244) 4.897 11.130 ( 0.626 -1.652 -1.213) 2.143 11.380 ( -8.831 9.535 1.911) 13.136 11.542 ( -9.845 -5.479 -1.938) 11.433 18.240 ( 8.431 6.664 0.456) 10.756 18.377 ( 8.113 -7.106 -2.737) 11.127 18.806 ( -11.245 5.413 3.472) 12.954 18.911 ( -11.737 -4.557 0.800) 12.616 19.365 ( -12.584 8.379 0.289) 15.122 19.421 ( -10.070 5.622 -0.946) 11.572 19.495 ( -11.892 -2.256 0.773) 12.129 19.573 ( -11.581 -6.871 -1.736) 13.577 20.713 ( 13.718 9.577 -0.048) 16.731 20.760 ( 12.048 6.714 0.168) 13.793 20.902 ( 10.970 0.987 4.409) 11.864 21.020 ( 9.135 -9.426 3.212) 13.514 21.269 ( -0.932 2.136 -4.682) 5.230 21.302 ( -2.017 -1.493 -4.018) 4.737 21.431 ( -3.573 -1.348 2.545) 4.589 21.469 ( -4.160 -5.834 1.048) 7.242 21.709 ( 4.506 3.027 -0.220) 5.433 21.737 ( 4.686 2.064 -1.462) 5.326 21.795 ( 3.531 -1.320 -0.377) 3.788 21.814 ( 3.581 -2.340 -0.093) 4.278 44.307 ( 0.534 3.511 0.028) 3.552 44.354 ( -0.773 1.158 0.052) 1.393 44.380 ( 0.038 -2.843 -0.207) 2.850 44.413 ( -0.898 -4.453 0.287) 4.551 45.118 ( 2.940 3.438 0.478) 4.549 45.179 ( 3.027 -1.521 -1.202) 3.595 45.261 ( -0.387 1.412 1.060) 1.807 45.331 ( -0.776 -4.344 -0.806) 4.486 46.198 ( 6.536 6.190 0.709) 9.030 46.260 ( 7.902 0.016 -0.771) 7.939 46.661 ( -7.727 7.335 1.338) 10.737 46.756 ( -7.428 -2.397 -0.836) 7.850 47.168 ( 0.889 0.409 -0.168) 0.994 47.179 ( 0.787 0.054 -0.057) 0.791 47.204 ( 1.217 -2.756 0.072) 3.014 47.209 ( 1.043 -2.654 -0.165) 2.856 ======================= Grid point 94 (40/60) ======================= q-point: ( 0.43 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 2.915 11.278 2.101) 11.837 1.991 ( -1.354 7.261 1.399) 7.518 2.082 ( 3.350 1.307 1.409) 3.862 2.132 ( -1.590 -6.526 0.939) 6.782 2.263 ( 1.237 2.735 -0.285) 3.015 2.302 ( -2.572 7.404 -0.097) 7.839 2.365 ( 4.041 -2.670 -3.204) 5.807 2.428 ( -2.095 -3.532 -2.765) 4.951 2.577 ( 3.713 -1.208 -1.102) 4.057 2.617 ( 3.187 -4.220 -1.522) 5.503 2.659 ( -3.699 -0.469 -0.817) 3.817 2.692 ( -4.101 -3.522 -1.407) 5.586 2.744 ( 0.745 9.055 -0.598) 9.105 2.773 ( -2.532 7.588 -1.683) 8.174 2.892 ( 1.092 -2.574 -1.788) 3.318 2.914 ( -1.346 -4.610 -1.464) 5.021 3.050 ( 5.214 -2.278 -0.192) 5.693 3.064 ( 6.377 -1.536 -0.625) 6.589 3.151 ( -3.183 0.174 0.428) 3.216 3.189 ( -3.702 -2.760 -0.476) 4.642 3.477 ( 10.576 9.580 1.102) 14.312 3.553 ( 6.197 1.174 2.125) 6.656 3.610 ( 1.840 1.245 0.557) 2.290 3.648 ( -5.765 2.244 0.708) 6.227 3.707 ( 6.648 -5.204 3.675) 9.208 3.730 ( -2.914 -3.282 1.970) 4.811 3.771 ( -5.180 -0.709 1.831) 5.539 3.843 ( -4.152 -4.327 -0.210) 6.001 4.029 ( 0.041 2.523 -0.914) 2.684 4.067 ( -0.178 -0.404 -0.770) 0.887 4.079 ( -2.777 -0.932 -2.137) 3.626 4.089 ( -1.003 -2.918 -0.144) 3.088 4.486 ( 3.548 1.834 0.287) 4.005 4.508 ( 4.122 -0.528 0.314) 4.167 4.563 ( -4.511 2.073 1.319) 5.137 4.592 ( -4.647 -0.886 1.364) 4.924 9.380 ( 10.315 14.490 -0.387) 17.790 9.503 ( 0.210 14.652 -0.487) 14.662 9.621 ( 8.655 -5.850 -2.242) 10.685 9.780 ( -4.985 -9.239 -3.325) 11.012 10.505 ( 3.572 8.034 0.736) 8.823 10.584 ( -1.524 7.781 -0.388) 7.938 10.671 ( 3.606 -2.319 2.091) 4.770 10.798 ( -7.053 -8.020 -0.124) 10.680 11.087 ( 3.887 6.487 1.301) 7.674 11.161 ( 0.015 5.813 -1.184) 5.932 11.241 ( -2.366 0.083 2.323) 3.317 11.351 ( -9.709 -4.972 -0.954) 10.949 18.415 ( 9.994 6.262 1.378) 11.874 18.536 ( 7.440 -4.436 -1.548) 8.800 18.613 ( -8.650 3.294 2.900) 9.700 18.713 ( -9.457 -5.091 0.341) 10.746 19.218 ( -2.610 8.415 -0.494) 8.824 19.262 ( -6.375 6.921 -1.359) 9.507 19.349 ( -3.050 -4.234 -0.112) 5.219 19.389 ( -6.973 -5.170 -1.465) 8.803 20.904 ( 5.948 12.085 1.118) 13.515 20.916 ( 4.357 11.003 1.391) 11.916 21.087 ( 8.446 -1.688 1.183) 8.693 21.164 ( 5.083 -11.629 0.748) 12.713 21.224 ( -3.065 5.328 -1.315) 6.286 21.262 ( -2.212 -1.574 -1.367) 3.040 21.362 ( -2.637 -5.178 1.247) 5.943 21.384 ( -4.291 -7.529 0.490) 8.680 21.782 ( 2.658 3.872 0.027) 4.697 21.795 ( 1.292 3.672 -0.049) 3.893 21.855 ( 2.284 -2.842 -1.294) 3.869 21.865 ( 1.330 -3.263 -0.938) 3.647 44.319 ( 0.833 2.924 0.421) 3.069 44.337 ( -0.977 2.291 0.576) 2.557 44.385 ( 0.456 -3.693 -0.272) 3.731 44.397 ( -0.807 -4.003 0.074) 4.084 45.171 ( 2.604 4.294 -0.172) 5.025 45.206 ( -0.697 4.041 -1.156) 4.260 45.272 ( 1.874 -4.506 0.374) 4.894 45.309 ( -1.682 -4.955 -0.666) 5.275 46.337 ( 8.154 7.409 0.991) 11.062 46.417 ( 7.819 0.460 -1.196) 7.924 46.509 ( -7.367 5.542 1.760) 9.385 46.601 ( -8.972 -2.670 -0.667) 9.384 47.183 ( 0.600 0.822 -0.154) 1.030 47.187 ( 0.115 0.710 -0.112) 0.728 47.222 ( 0.665 -3.040 0.039) 3.112 47.225 ( 0.448 -2.918 -0.007) 2.952 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 0.000 0.000 22.193) 22.193 0.954 ( 0.000 0.000 20.987) 20.987 1.300 ( 0.000 0.000 -9.377) 9.377 1.362 ( 0.000 0.000 -20.156) 20.156 1.598 ( 0.000 0.000 28.523) 28.523 2.204 ( 0.000 0.000 -26.864) 26.864 2.255 ( 0.000 0.000 3.626) 3.626 2.269 ( 0.000 0.000 12.762) 12.762 2.321 ( 0.000 0.000 -2.476) 2.476 2.525 ( 0.000 0.000 -12.671) 12.671 2.612 ( 0.000 0.000 1.559) 1.559 2.643 ( 0.000 0.000 -1.842) 1.842 2.910 ( 0.000 0.000 6.246) 6.246 2.923 ( 0.000 0.000 4.602) 4.602 2.946 ( 0.000 0.000 11.568) 11.568 2.966 ( 0.000 0.000 5.145) 5.145 3.032 ( 0.000 0.000 -5.943) 5.943 3.041 ( 0.000 0.000 -6.485) 6.485 3.061 ( 0.000 0.000 -4.468) 4.468 3.191 ( 0.000 0.000 -12.365) 12.365 3.281 ( 0.000 0.000 -1.177) 1.177 3.292 ( 0.000 0.000 -1.426) 1.426 3.557 ( 0.000 0.000 2.705) 2.705 3.606 ( 0.000 0.000 -2.056) 2.056 3.804 ( 0.000 0.000 2.433) 2.433 3.810 ( 0.000 0.000 2.565) 2.565 4.007 ( 0.000 0.000 2.573) 2.573 4.050 ( 0.000 0.000 -1.989) 1.989 4.050 ( 0.000 0.000 7.303) 7.303 4.174 ( 0.000 0.000 -5.047) 5.047 4.246 ( 0.000 0.000 3.989) 3.989 4.349 ( 0.000 0.000 -5.298) 5.298 4.553 ( 0.000 0.000 2.089) 2.089 4.582 ( 0.000 0.000 0.934) 0.934 4.644 ( 0.000 0.000 6.308) 6.308 4.789 ( 0.000 0.000 -6.384) 6.384 8.441 ( 0.000 0.000 17.693) 17.693 8.808 ( 0.000 0.000 -17.797) 17.797 8.992 ( 0.000 0.000 23.478) 23.478 9.350 ( 0.000 0.000 -4.191) 4.191 9.661 ( 0.000 0.000 -7.491) 7.491 9.788 ( 0.000 0.000 -12.939) 12.939 10.545 ( 0.000 0.000 8.282) 8.282 10.699 ( 0.000 0.000 -6.779) 6.779 10.833 ( 0.000 0.000 11.099) 11.099 11.059 ( 0.000 0.000 -10.741) 10.741 11.116 ( 0.000 0.000 9.455) 9.455 11.277 ( 0.000 0.000 -6.610) 6.610 18.345 ( 0.000 0.000 5.671) 5.671 18.468 ( 0.000 0.000 -6.207) 6.207 18.984 ( 0.000 0.000 4.794) 4.794 19.073 ( 0.000 0.000 -3.714) 3.714 19.219 ( 0.000 0.000 3.304) 3.304 19.294 ( 0.000 0.000 -3.990) 3.990 19.474 ( 0.000 0.000 1.952) 1.952 19.538 ( 0.000 0.000 -4.457) 4.457 20.676 ( 0.000 0.000 9.666) 9.666 20.857 ( 0.000 0.000 -5.634) 5.634 20.935 ( 0.000 0.000 2.932) 2.932 20.989 ( 0.000 0.000 -2.306) 2.306 20.997 ( 0.000 0.000 -1.753) 1.753 21.037 ( 0.000 0.000 -3.272) 3.272 21.276 ( 0.000 0.000 2.397) 2.397 21.277 ( 0.000 0.000 4.143) 4.143 21.318 ( 0.000 0.000 -1.710) 1.710 21.357 ( 0.000 0.000 -3.592) 3.592 21.924 ( 0.000 0.000 1.544) 1.544 21.944 ( 0.000 0.000 -0.512) 0.512 44.229 ( 0.000 0.000 6.292) 6.292 44.374 ( 0.000 0.000 -8.029) 8.029 45.110 ( 0.000 0.000 4.094) 4.094 45.178 ( 0.000 0.000 -2.813) 2.813 45.290 ( 0.000 0.000 0.032) 0.032 45.291 ( 0.000 0.000 -0.044) 0.044 45.327 ( 0.000 0.000 0.682) 0.682 45.341 ( 0.000 0.000 -0.649) 0.649 45.415 ( 0.000 0.000 3.971) 3.971 45.502 ( 0.000 0.000 -4.621) 4.621 45.921 ( 0.000 0.000 4.186) 4.186 45.993 ( 0.000 0.000 -3.003) 3.003 47.260 ( 0.000 0.000 2.151) 2.151 47.308 ( 0.000 0.000 -2.635) 2.635 47.460 ( 0.000 0.000 0.470) 0.470 47.467 ( 0.000 0.000 -0.189) 0.189 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( 4.310 0.000 20.259) 20.712 1.038 ( 9.846 0.000 19.764) 22.080 1.340 ( 3.730 0.000 -14.591) 15.060 1.425 ( 6.440 0.000 -18.830) 19.901 1.761 ( 15.821 0.000 27.649) 31.855 2.199 ( -5.897 0.000 4.361) 7.335 2.234 ( -1.882 0.000 -0.134) 1.886 2.282 ( -4.177 0.000 -3.525) 5.466 2.304 ( 6.900 0.000 -10.150) 12.274 2.472 ( -5.904 0.000 -7.748) 9.741 2.631 ( 3.088 0.000 -2.868) 4.214 2.641 ( 0.106 0.000 -2.307) 2.309 2.866 ( -0.457 0.000 4.614) 4.637 2.932 ( -1.167 0.000 10.097) 10.164 2.959 ( -0.671 0.000 5.297) 5.339 2.976 ( 0.242 0.000 -3.745) 3.753 3.006 ( 3.126 0.000 1.473) 3.455 3.080 ( 1.690 0.000 -3.859) 4.213 3.095 ( 1.597 0.000 -3.451) 3.803 3.192 ( -0.008 0.000 -11.675) 11.675 3.265 ( -0.894 0.000 -0.852) 1.235 3.292 ( -0.428 0.000 -2.723) 2.756 3.586 ( 3.096 0.000 3.360) 4.569 3.646 ( 4.086 0.000 -2.474) 4.777 3.820 ( -0.582 0.000 2.947) 3.004 3.821 ( 1.103 0.000 2.115) 2.385 3.996 ( 0.074 0.000 4.733) 4.734 4.030 ( -2.166 0.000 7.227) 7.544 4.065 ( 1.090 0.000 -1.067) 1.526 4.152 ( -2.312 0.000 -4.988) 5.498 4.204 ( -3.031 0.000 1.477) 3.371 4.295 ( -5.363 0.000 -5.750) 7.863 4.504 ( -3.238 0.000 5.553) 6.428 4.582 ( -0.648 0.000 -2.509) 2.591 4.670 ( 1.201 0.000 4.762) 4.911 4.768 ( -2.434 0.000 -4.428) 5.052 8.437 ( -0.162 0.000 17.894) 17.895 8.754 ( -4.723 0.000 -5.901) 7.558 9.034 ( 3.666 0.000 10.743) 11.352 9.370 ( 1.167 0.000 -10.313) 10.379 9.693 ( 3.902 0.000 -1.863) 4.324 9.839 ( 4.900 0.000 -11.506) 12.506 10.457 ( -7.767 0.000 3.991) 8.733 10.482 ( -12.709 0.000 1.735) 12.827 11.069 ( 14.653 0.000 2.353) 14.840 11.117 ( 0.204 0.000 8.642) 8.644 11.160 ( 8.867 0.000 -6.066) 10.743 11.266 ( -1.228 0.000 -6.075) 6.198 18.363 ( 1.897 0.000 5.352) 5.678 18.478 ( 1.065 0.000 -5.789) 5.886 18.683 ( -23.301 0.000 9.848) 25.297 18.813 ( -16.846 0.000 -3.711) 17.250 19.191 ( -2.773 0.000 3.114) 4.170 19.263 ( -3.122 0.000 -3.884) 4.983 19.369 ( -11.399 0.000 10.629) 15.585 19.588 ( -5.119 0.000 -11.258) 12.367 20.558 ( -0.730 0.000 12.536) 12.558 20.802 ( 1.475 0.000 -11.563) 11.657 20.946 ( 1.069 0.000 2.811) 3.007 20.996 ( 0.632 0.000 -2.006) 2.103 21.083 ( 4.816 0.000 4.356) 6.494 21.182 ( 3.604 0.000 -5.290) 6.401 21.278 ( 0.094 0.000 3.708) 3.709 21.351 ( -0.616 0.000 -3.355) 3.411 21.471 ( 16.238 0.000 4.595) 16.876 21.614 ( 24.874 0.000 -10.889) 27.153 21.935 ( 1.089 0.000 1.778) 2.085 21.964 ( 2.166 0.000 -1.151) 2.453 44.238 ( 0.918 0.000 6.042) 6.112 44.370 ( -0.487 0.000 -6.771) 6.789 44.994 ( -7.748 0.000 8.399) 11.426 45.119 ( -5.801 0.000 -4.495) 7.339 45.291 ( 0.139 0.000 0.059) 0.151 45.292 ( 0.191 0.000 -0.068) 0.202 45.326 ( -0.090 0.000 0.645) 0.651 45.339 ( -0.172 0.000 -0.615) 0.638 45.514 ( 7.345 0.000 2.197) 7.667 45.580 ( 7.252 0.000 -4.117) 8.339 45.912 ( -0.166 0.000 6.547) 6.549 46.056 ( 4.249 0.000 -8.417) 9.428 47.270 ( 1.024 0.000 2.096) 2.332 47.318 ( 0.843 0.000 -2.583) 2.717 47.447 ( -1.636 0.000 0.454) 1.698 47.450 ( -0.952 0.000 0.135) 0.961 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 12.523 0.000 14.169) 18.910 1.271 ( 14.393 0.000 15.269) 20.984 1.440 ( 6.859 0.000 -14.610) 16.140 1.584 ( 10.099 0.000 -15.656) 18.631 2.046 ( -10.166 0.000 5.997) 11.803 2.062 ( 9.237 0.000 13.175) 16.091 2.118 ( -9.153 0.000 4.803) 10.336 2.170 ( -7.757 0.000 -5.945) 9.773 2.346 ( 0.626 0.000 0.590) 0.861 2.501 ( 9.621 0.000 -6.142) 11.415 2.661 ( 1.826 0.000 -1.626) 2.445 2.711 ( 4.599 0.000 -6.011) 7.568 2.898 ( 3.580 0.000 5.283) 6.382 2.914 ( -0.527 0.000 8.833) 8.849 2.943 ( -0.973 0.000 5.756) 5.837 3.029 ( 4.409 0.000 -2.248) 4.949 3.054 ( 2.495 0.000 -2.731) 3.700 3.103 ( -0.341 0.000 -1.327) 1.370 3.114 ( 1.854 0.000 -4.595) 4.955 3.187 ( -0.522 0.000 -10.155) 10.169 3.260 ( 0.664 0.000 -1.901) 2.013 3.279 ( -0.744 0.000 -3.141) 3.228 3.666 ( 5.271 0.000 4.652) 7.030 3.712 ( -10.785 0.000 6.386) 12.534 3.746 ( 6.352 0.000 -3.268) 7.143 3.800 ( -4.839 0.000 -1.814) 5.168 3.971 ( -4.076 0.000 6.980) 8.083 4.029 ( 2.850 0.000 5.553) 6.242 4.089 ( -4.395 0.000 -4.803) 6.510 4.095 ( 2.647 0.000 0.318) 2.666 4.179 ( -1.820 0.000 -2.051) 2.742 4.215 ( 0.163 0.000 -3.179) 3.183 4.446 ( -2.588 0.000 6.604) 7.093 4.563 ( -1.243 0.000 -4.642) 4.806 4.659 ( -2.539 0.000 2.444) 3.524 4.698 ( -4.835 0.000 -1.414) 5.037 8.446 ( 1.328 0.000 17.762) 17.812 8.658 ( -5.281 0.000 5.401) 7.554 9.112 ( 4.629 0.000 -2.258) 5.150 9.361 ( -2.282 0.000 -17.351) 17.501 9.808 ( 7.762 0.000 4.100) 8.778 9.939 ( 4.986 0.000 -7.776) 9.237 10.285 ( -7.966 0.000 2.904) 8.478 10.312 ( -7.277 0.000 0.534) 7.296 11.125 ( 0.710 0.000 6.217) 6.257 11.233 ( -2.218 0.000 -4.420) 4.945 11.302 ( 9.837 0.000 0.849) 9.874 11.329 ( 8.251 0.000 -1.506) 8.387 18.384 ( -7.855 0.000 11.761) 14.143 18.413 ( 3.209 0.000 4.277) 5.348 18.501 ( 1.163 0.000 -4.304) 4.458 18.556 ( -9.567 0.000 -5.800) 11.188 19.120 ( -13.494 0.000 10.465) 17.076 19.129 ( -3.411 0.000 2.271) 4.098 19.188 ( -4.568 0.000 -3.421) 5.707 19.332 ( -17.934 0.000 -9.967) 20.517 20.672 ( 8.874 0.000 8.980) 12.625 20.851 ( 2.314 0.000 -8.086) 8.410 20.971 ( 1.512 0.000 2.402) 2.839 21.008 ( 0.540 0.000 -1.076) 1.204 21.165 ( 4.270 0.000 1.693) 4.593 21.229 ( 1.988 0.000 -4.290) 4.728 21.282 ( 0.403 0.000 2.409) 2.443 21.335 ( -1.056 0.000 -2.619) 2.824 21.758 ( 12.604 0.000 7.846) 14.846 21.943 ( 7.852 0.000 -6.024) 9.897 21.965 ( 3.415 0.000 -0.578) 3.464 22.032 ( 5.265 0.000 -6.212) 8.143 44.262 ( 1.657 0.000 5.220) 5.477 44.356 ( -1.033 0.000 -3.405) 3.558 44.889 ( -3.320 0.000 6.744) 7.516 45.004 ( -5.950 0.000 -4.430) 7.418 45.295 ( 0.226 0.000 0.118) 0.255 45.297 ( 0.255 0.000 -0.096) 0.272 45.325 ( -0.092 0.000 0.498) 0.507 45.335 ( -0.305 0.000 -0.500) 0.586 45.643 ( 6.492 0.000 3.469) 7.361 45.733 ( 8.187 0.000 -5.123) 9.658 45.911 ( -0.056 0.000 7.863) 7.863 46.099 ( -0.026 0.000 -11.089) 11.089 47.289 ( 0.826 0.000 1.592) 1.794 47.327 ( -0.186 0.000 -1.959) 1.968 47.424 ( -0.497 0.000 0.727) 0.881 47.435 ( -0.503 0.000 -0.358) 0.618 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 13.800 0.000 6.746) 15.360 1.547 ( 1.198 0.000 -6.351) 6.463 1.547 ( 14.697 0.000 11.184) 18.469 1.757 ( 2.051 0.000 -4.875) 5.289 1.855 ( -4.121 0.000 1.029) 4.247 1.936 ( -5.385 0.000 -0.268) 5.392 2.000 ( -8.857 0.000 -5.179) 10.260 2.002 ( -10.000 0.000 -8.735) 13.278 2.546 ( 11.607 0.000 9.563) 15.039 2.641 ( 2.058 0.000 5.272) 5.659 2.699 ( 4.272 0.000 -4.018) 5.864 2.765 ( 0.091 0.000 -5.480) 5.481 2.913 ( 0.353 0.000 7.831) 7.839 2.925 ( -0.873 0.000 6.711) 6.767 2.986 ( 5.683 0.000 6.254) 8.450 3.071 ( 0.798 0.000 2.686) 2.802 3.085 ( -1.567 0.000 -0.289) 1.594 3.096 ( -1.177 0.000 -1.310) 1.761 3.146 ( 1.579 0.000 -6.379) 6.571 3.172 ( -1.122 0.000 -8.332) 8.407 3.286 ( 2.320 0.000 -2.075) 3.112 3.317 ( 3.716 0.000 -4.634) 5.940 3.513 ( -5.367 0.000 1.648) 5.614 3.633 ( -11.555 0.000 -7.729) 13.901 3.773 ( 5.989 0.000 5.766) 8.313 3.871 ( 6.705 0.000 -3.851) 7.732 3.881 ( -5.369 0.000 6.403) 8.356 3.991 ( -5.994 0.000 -4.473) 7.479 4.100 ( 4.596 0.000 4.781) 6.631 4.143 ( 2.098 0.000 -0.088) 2.100 4.165 ( -0.257 0.000 2.855) 2.866 4.208 ( -2.931 0.000 -0.114) 2.933 4.455 ( 4.256 0.000 4.015) 5.850 4.550 ( -1.404 0.000 -5.123) 5.312 4.577 ( -3.785 0.000 2.596) 4.590 4.614 ( -3.870 0.000 -1.503) 4.152 8.489 ( 3.286 0.000 16.182) 16.512 8.565 ( -4.656 0.000 12.314) 13.165 9.203 ( 5.076 0.000 -11.008) 12.122 9.295 ( -4.524 0.000 -16.396) 17.009 9.942 ( 5.606 0.000 2.322) 6.068 9.994 ( 0.263 0.000 -2.639) 2.652 10.192 ( -1.997 0.000 1.881) 2.744 10.208 ( -3.525 0.000 0.415) 3.549 11.147 ( 1.722 0.000 2.452) 2.996 11.188 ( -2.486 0.000 -1.504) 2.905 11.428 ( 3.721 0.000 0.945) 3.840 11.437 ( 2.854 0.000 0.208) 2.862 18.357 ( 3.306 0.000 6.950) 7.696 18.440 ( -4.559 0.000 -0.909) 4.649 18.473 ( 2.948 0.000 2.064) 3.599 18.509 ( -0.672 0.000 -1.345) 1.504 18.942 ( -3.414 0.000 3.252) 4.715 19.033 ( -12.217 0.000 -5.102) 13.239 19.086 ( -0.688 0.000 0.249) 0.731 19.111 ( -3.178 0.000 -2.122) 3.821 20.808 ( 5.206 0.000 3.467) 6.254 20.865 ( -1.025 0.000 -1.739) 2.019 20.997 ( 1.163 0.000 1.583) 1.964 21.011 ( -0.276 0.000 0.306) 0.412 21.232 ( 2.557 0.000 -1.086) 2.778 21.253 ( 0.257 0.000 -2.877) 2.888 21.294 ( 0.876 0.000 0.512) 1.015 21.314 ( -1.164 0.000 -1.317) 1.758 21.922 ( 5.317 0.000 6.734) 8.580 21.972 ( -0.459 0.000 4.884) 4.906 22.060 ( 3.898 0.000 -5.928) 7.095 22.098 ( 0.476 0.000 -8.365) 8.378 44.296 ( 1.947 0.000 3.547) 4.046 44.331 ( -1.651 0.000 0.578) 1.750 44.866 ( 0.759 0.000 1.757) 1.914 44.911 ( -3.862 0.000 -2.311) 4.500 45.299 ( 0.187 0.000 0.134) 0.230 45.300 ( 0.057 0.000 0.005) 0.057 45.324 ( 0.113 0.000 0.144) 0.183 45.329 ( -0.320 0.000 -0.264) 0.415 45.753 ( 5.080 0.000 4.560) 6.826 45.817 ( -0.806 0.000 1.104) 1.368 45.950 ( 5.510 0.000 -0.971) 5.595 46.055 ( -4.533 0.000 -8.517) 9.648 47.301 ( 0.537 0.000 0.511) 0.741 47.314 ( -0.890 0.000 -0.685) 1.123 47.426 ( 0.416 0.000 0.075) 0.422 47.431 ( -0.106 0.000 -0.349) 0.365 ======================= Grid point 133 (45/60) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.054 ( 0.000 10.478 19.609) 22.233 1.062 ( 0.000 10.492 18.178) 20.989 1.386 ( 0.000 7.973 -11.836) 14.271 1.445 ( 0.000 7.539 -18.830) 20.283 1.749 ( 0.000 15.137 27.560) 31.443 2.282 ( 0.000 7.381 -21.626) 22.851 2.283 ( 0.000 1.341 11.666) 11.742 2.340 ( 0.000 7.754 3.574) 8.538 2.391 ( 0.000 6.389 -2.905) 7.018 2.535 ( 0.000 1.220 -11.929) 11.991 2.590 ( 0.000 -1.986 1.402) 2.431 2.621 ( 0.000 -1.756 -2.721) 3.239 2.828 ( 0.000 -4.681 5.302) 7.073 2.895 ( 0.000 -2.735 1.876) 3.316 2.923 ( 0.000 -2.840 3.473) 4.487 2.939 ( 0.000 -3.044 -0.681) 3.119 2.984 ( 0.000 -1.679 4.869) 5.150 3.042 ( 0.000 -4.434 -5.539) 7.096 3.089 ( 0.000 3.471 -0.902) 3.586 3.204 ( 0.000 -1.600 -7.384) 7.555 3.278 ( 0.000 -1.787 -1.137) 2.118 3.285 ( 0.000 -0.050 -2.331) 2.332 3.598 ( 0.000 0.020 -0.495) 0.495 3.611 ( 0.000 5.386 -2.118) 5.787 3.808 ( 0.000 -0.024 2.719) 2.719 3.830 ( 0.000 1.591 1.394) 2.115 4.001 ( 0.000 -2.431 4.610) 5.212 4.007 ( 0.000 -0.262 3.249) 3.259 4.114 ( 0.000 3.665 -2.313) 4.334 4.136 ( 0.000 -3.424 -3.561) 4.941 4.264 ( 0.000 1.787 3.533) 3.959 4.350 ( 0.000 0.103 -4.341) 4.342 4.518 ( 0.000 -4.257 2.287) 4.832 4.557 ( 0.000 -6.141 -0.688) 6.179 4.628 ( 0.000 2.024 6.919) 7.209 4.753 ( 0.000 -2.032 -4.584) 5.014 8.523 ( 0.000 7.533 15.582) 17.307 8.855 ( 0.000 4.025 -16.494) 16.978 9.091 ( 0.000 9.136 23.184) 24.919 9.477 ( 0.000 12.171 -6.599) 13.845 9.689 ( 0.000 2.755 -3.380) 4.360 9.872 ( 0.000 8.116 -13.553) 15.797 10.563 ( 0.000 2.080 8.093) 8.356 10.718 ( 0.000 2.273 -7.106) 7.461 10.804 ( 0.000 -1.289 10.739) 10.817 11.018 ( 0.000 -2.632 -9.963) 10.305 11.218 ( 0.000 8.599 9.123) 12.537 11.378 ( 0.000 8.325 -6.754) 10.720 18.212 ( 0.000 -9.244 10.437) 13.943 18.404 ( 0.000 -5.436 -8.755) 10.306 19.048 ( 0.000 4.193 3.905) 5.730 19.112 ( 0.000 3.409 -2.533) 4.247 19.292 ( 0.000 7.992 2.989) 8.532 19.362 ( 0.000 7.405 -3.928) 8.383 19.562 ( 0.000 6.465 2.443) 6.911 19.625 ( 0.000 7.068 -3.632) 7.947 20.562 ( 0.000 -9.949 7.120) 12.235 20.672 ( 0.000 -12.160 -2.681) 12.452 20.854 ( 0.000 -8.815 3.553) 9.504 20.918 ( 0.000 -2.783 -1.061) 2.978 21.056 ( 0.000 4.786 -3.044) 5.672 21.064 ( 0.000 0.957 -4.791) 4.885 21.312 ( 0.000 4.268 0.212) 4.273 21.328 ( 0.000 4.127 -0.894) 4.222 21.433 ( 0.000 8.364 2.577) 8.752 21.493 ( 0.000 8.809 -3.281) 9.401 21.890 ( 0.000 -3.340 1.752) 3.771 21.914 ( 0.000 -2.981 -0.686) 3.059 44.228 ( 0.000 -0.023 5.847) 5.847 44.362 ( 0.000 -1.075 -7.401) 7.478 44.929 ( 0.000 -19.482 8.162) 21.123 45.041 ( 0.000 -13.842 -2.946) 14.152 45.098 ( 0.000 -5.762 2.226) 6.178 45.149 ( 0.000 -3.267 -2.390) 4.048 45.328 ( 0.000 0.742 1.601) 1.765 45.349 ( 0.000 3.340 -0.512) 3.379 45.596 ( 0.000 9.323 -0.236) 9.326 45.611 ( 0.000 6.270 -1.642) 6.482 46.140 ( 0.000 17.169 5.620) 18.065 46.277 ( 0.000 19.806 -8.625) 21.603 47.249 ( 0.000 -1.099 1.928) 2.219 47.292 ( 0.000 -1.650 -2.307) 2.836 47.425 ( 0.000 -3.870 0.360) 3.887 47.426 ( 0.000 -3.287 0.168) 3.291 ======================= Grid point 134 (46/60) ======================= q-point: ( 0.14 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( 3.528 10.205 17.747) 20.774 1.142 ( 8.842 9.601 17.517) 21.845 1.419 ( 3.363 7.541 -13.936) 16.199 1.507 ( 6.330 7.388 -17.643) 20.147 1.896 ( 14.151 13.518 24.714) 31.524 2.260 ( -3.451 2.981 5.932) 7.482 2.282 ( -5.529 6.502 6.082) 10.480 2.348 ( 0.823 4.195 -6.277) 7.594 2.354 ( 1.045 6.890 -11.390) 13.353 2.478 ( -5.867 0.765 -6.341) 8.672 2.609 ( 1.681 -2.455 -1.008) 3.141 2.625 ( 1.898 -0.582 -5.308) 5.667 2.832 ( 0.434 -3.908 4.219) 5.767 2.867 ( -1.547 -3.287 4.739) 5.971 2.912 ( 0.230 -1.642 1.826) 2.466 2.985 ( 2.980 -3.334 -0.900) 4.561 2.999 ( 1.505 -1.436 -2.366) 3.151 3.077 ( 0.210 0.349 -6.128) 6.141 3.090 ( 2.815 0.266 2.381) 3.697 3.184 ( -1.477 -2.265 -4.347) 5.119 3.259 ( -0.245 -0.647 1.357) 1.523 3.325 ( 2.105 0.772 -4.257) 4.812 3.622 ( 2.529 -0.002 -0.644) 2.610 3.631 ( 1.916 3.256 -1.707) 4.146 3.816 ( 0.573 -0.762 2.979) 3.128 3.838 ( -0.395 1.401 1.458) 2.060 3.975 ( -1.826 -1.586 5.060) 5.608 4.021 ( 0.940 -0.926 3.696) 3.924 4.093 ( -1.876 0.916 -1.507) 2.574 4.127 ( -1.192 -1.040 -2.093) 2.623 4.225 ( -2.506 1.766 0.532) 3.112 4.294 ( -5.432 0.033 -4.756) 7.220 4.493 ( -2.075 -2.265 4.749) 5.655 4.559 ( -0.275 -3.906 -1.954) 4.376 4.646 ( 0.919 -0.496 4.706) 4.821 4.735 ( -2.194 -1.928 -3.427) 4.503 8.525 ( 0.363 8.130 15.855) 17.821 8.818 ( -3.422 5.723 -7.585) 10.099 9.121 ( 3.017 8.189 13.407) 15.997 9.486 ( -0.054 10.667 -13.352) 17.090 9.740 ( 5.829 4.918 2.612) 8.061 9.924 ( 5.158 8.261 -11.786) 15.290 10.478 ( -7.673 2.385 4.209) 9.071 10.513 ( -11.843 3.395 1.124) 12.371 10.999 ( 10.358 -3.177 3.140) 11.280 11.088 ( 5.891 -3.693 -5.180) 8.671 11.240 ( 2.635 7.526 6.684) 10.405 11.372 ( -0.533 7.816 -5.944) 9.834 18.227 ( 1.579 -8.288 10.694) 13.621 18.420 ( 1.672 -4.703 -8.673) 10.007 18.839 ( -19.131 10.133 3.385) 21.912 18.881 ( -14.527 5.867 -0.763) 15.686 19.260 ( -4.510 6.466 3.016) 8.441 19.299 ( -6.701 4.218 0.181) 7.920 19.434 ( -9.357 6.032 6.145) 12.716 19.619 ( -8.051 2.391 -10.611) 13.532 20.550 ( 3.064 -0.998 11.398) 11.845 20.727 ( 6.730 -8.607 -4.319) 11.749 20.823 ( 0.971 -9.304 1.922) 9.550 20.908 ( -1.267 -0.524 -6.503) 6.646 21.176 ( 8.868 1.618 2.505) 9.356 21.233 ( 5.368 2.587 -2.371) 6.413 21.317 ( 0.605 5.243 0.297) 5.286 21.356 ( 1.332 1.681 -2.924) 3.627 21.526 ( 10.234 4.381 4.212) 11.903 21.644 ( 16.005 2.302 -8.335) 18.191 21.903 ( 1.258 -3.171 1.709) 3.815 21.930 ( 1.847 -3.289 -1.067) 3.920 44.236 ( 0.891 -0.054 5.604) 5.674 44.359 ( -0.398 -1.000 -6.256) 6.348 44.850 ( -5.369 -12.584 8.293) 15.998 44.974 ( -5.561 -12.767 -4.419) 14.610 45.149 ( 3.814 -7.092 2.565) 8.451 45.196 ( 2.649 -6.493 -2.064) 7.310 45.341 ( 1.133 1.358 1.098) 2.082 45.356 ( 0.696 3.530 -0.432) 3.623 45.627 ( 3.515 7.421 1.443) 8.337 45.674 ( 5.915 7.165 -3.063) 9.782 46.116 ( -2.146 16.220 6.946) 17.775 46.284 ( 0.082 17.083 -10.321) 19.959 47.258 ( 0.851 -1.247 1.877) 2.408 47.300 ( 0.660 -1.804 -2.250) 2.958 47.411 ( -1.099 -3.363 0.657) 3.599 47.418 ( -0.690 -3.083 -0.061) 3.160 ======================= Grid point 135 (47/60) ======================= q-point: ( 0.29 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 10.757 7.988 13.178) 18.793 1.355 ( 13.302 7.733 12.509) 19.829 1.511 ( 6.316 6.868 -11.888) 15.113 1.664 ( 10.022 7.115 -14.819) 19.252 2.112 ( -7.657 6.620 6.180) 11.859 2.140 ( -5.377 5.018 6.181) 9.607 2.164 ( -1.696 6.374 7.216) 9.776 2.240 ( -7.551 6.345 -6.040) 11.565 2.371 ( 3.417 2.694 2.589) 5.064 2.508 ( 7.464 0.998 -3.723) 8.400 2.640 ( 2.004 -2.176 -0.594) 3.017 2.687 ( 3.057 -1.707 -4.521) 5.718 2.852 ( 1.936 -2.581 4.379) 5.439 2.857 ( 0.745 -4.089 4.702) 6.276 2.944 ( 2.177 -1.923 -0.175) 2.910 3.015 ( 1.545 -3.109 -4.008) 5.302 3.048 ( 2.454 0.313 -2.725) 3.681 3.074 ( 0.712 0.172 -1.162) 1.374 3.161 ( 2.184 0.178 -2.532) 3.348 3.169 ( 1.758 1.319 -0.537) 2.262 3.266 ( 1.187 0.652 0.946) 1.651 3.356 ( 1.350 3.121 -5.700) 6.637 3.666 ( 1.317 1.134 1.448) 2.262 3.691 ( 2.114 -3.186 -0.546) 3.862 3.750 ( -5.646 1.529 3.955) 7.061 3.808 ( -3.245 0.966 -0.772) 3.472 3.925 ( -3.304 -2.766 4.940) 6.555 4.027 ( -4.154 -3.031 -4.718) 6.978 4.071 ( 2.414 1.561 5.243) 5.979 4.113 ( 0.885 -0.540 0.954) 1.409 4.202 ( -2.717 1.198 -2.240) 3.720 4.226 ( 2.177 1.651 -3.620) 4.535 4.445 ( -2.588 -0.629 6.309) 6.848 4.544 ( -1.256 -2.680 -2.984) 4.203 4.637 ( -1.993 -1.702 1.595) 3.068 4.666 ( -5.071 -1.622 -1.141) 5.445 8.545 ( 1.951 9.413 15.965) 18.636 8.745 ( -4.140 8.312 3.864) 10.058 9.193 ( 4.534 7.523 -0.082) 8.784 9.456 ( -3.010 8.699 -17.869) 20.100 9.892 ( 9.427 8.370 5.653) 13.816 10.034 ( 5.685 9.002 -7.645) 13.107 10.316 ( -7.991 3.329 2.397) 8.983 10.338 ( -7.499 3.164 0.435) 8.151 11.124 ( 3.555 -0.635 4.609) 5.856 11.192 ( 4.040 -3.226 -2.435) 5.715 11.317 ( 4.775 1.006 1.901) 5.237 11.368 ( 0.561 3.829 -2.994) 4.893 18.273 ( 3.399 -4.444 10.686) 12.062 18.455 ( 1.125 -1.749 -6.819) 7.129 18.592 ( -5.708 9.275 2.487) 11.171 18.644 ( -9.098 7.112 -2.152) 11.746 19.076 ( -13.299 -1.211 8.452) 15.804 19.176 ( -7.010 3.607 -0.868) 7.931 19.288 ( -6.417 7.278 -0.392) 9.711 19.359 ( -15.479 3.088 -7.565) 17.503 20.685 ( 8.550 0.978 9.017) 12.464 20.840 ( 3.854 -3.213 -4.577) 6.792 20.853 ( 2.401 -9.709 2.308) 10.265 20.917 ( 1.442 -1.182 -5.027) 5.361 21.277 ( 3.339 4.505 0.866) 5.674 21.291 ( 2.070 3.677 0.562) 4.257 21.333 ( 1.001 6.362 -0.924) 6.506 21.360 ( -0.452 2.954 -2.298) 3.770 21.745 ( 10.929 -1.238 6.733) 12.896 21.902 ( 7.931 -3.952 -6.102) 10.759 21.935 ( 2.781 -2.912 0.319) 4.039 21.991 ( 4.653 -3.953 -4.972) 7.874 44.259 ( 1.585 -0.158 4.829) 5.085 44.347 ( -0.904 -0.807 -3.171) 3.395 44.775 ( -2.408 -9.266 5.554) 11.068 44.873 ( -4.955 -10.497 -3.814) 12.219 45.203 ( 2.056 -7.276 1.299) 7.671 45.229 ( 1.020 -6.532 -1.119) 6.705 45.361 ( 0.875 3.139 0.372) 3.280 45.369 ( 0.590 3.964 -0.393) 4.027 45.715 ( 5.466 6.360 3.662) 9.150 45.803 ( 6.948 6.462 -4.821) 10.643 46.075 ( -1.769 13.676 7.787) 15.837 46.261 ( -2.753 13.109 -10.688) 17.137 47.272 ( 0.507 -1.708 1.359) 2.241 47.304 ( -0.453 -2.262 -1.620) 2.820 47.400 ( 0.106 -2.268 0.545) 2.335 47.410 ( -0.074 -2.465 -0.344) 2.490 ======================= Grid point 136 (48/60) ======================= q-point: ( 0.43 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 12.237 5.126 6.691) 14.860 1.573 ( 3.240 3.952 -3.201) 6.030 1.644 ( 11.393 7.676 8.512) 16.161 1.852 ( 6.601 8.043 -7.692) 12.939 1.909 ( -9.671 4.775 4.367) 11.636 1.980 ( -4.510 5.239 -1.245) 7.024 2.049 ( -8.064 4.854 -5.181) 10.744 2.083 ( -9.151 6.998 -8.367) 14.238 2.558 ( 8.401 1.179 6.958) 10.972 2.619 ( 2.352 -1.179 3.924) 4.724 2.672 ( 2.319 -2.548 -2.257) 4.119 2.712 ( -0.533 -3.843 -2.406) 4.565 2.885 ( 1.746 -3.021 2.442) 4.259 2.897 ( 1.401 -2.471 3.555) 4.551 2.996 ( 4.817 -0.488 2.952) 5.671 3.030 ( 0.264 -3.275 0.057) 3.286 3.061 ( -0.365 -1.769 -0.826) 1.986 3.100 ( -0.450 1.377 -0.525) 1.541 3.198 ( 1.838 3.500 -0.337) 3.968 3.202 ( 0.495 4.018 1.296) 4.251 3.326 ( 4.360 2.013 -2.412) 5.374 3.391 ( 1.526 4.518 -4.769) 6.744 3.524 ( -5.601 1.937 1.786) 6.189 3.639 ( -9.501 0.903 -6.171) 11.365 3.774 ( 3.102 0.243 1.386) 3.406 3.808 ( 4.114 -5.052 -1.011) 6.593 3.862 ( -2.402 -1.240 2.792) 3.886 3.928 ( -5.485 -3.972 -3.273) 7.522 4.123 ( 3.113 0.143 4.007) 5.076 4.151 ( 1.288 -1.636 1.970) 2.867 4.197 ( 1.231 3.420 0.949) 3.757 4.239 ( -2.044 2.490 -0.822) 3.324 4.447 ( 3.865 -0.735 4.268) 5.805 4.533 ( 0.764 -2.789 -2.461) 3.797 4.555 ( -6.399 -0.760 0.315) 6.451 4.581 ( -3.495 -2.253 -1.252) 4.343 8.597 ( 3.488 10.406 14.784) 18.412 8.669 ( -4.076 10.128 11.135) 15.594 9.285 ( 5.253 7.615 -9.852) 13.515 9.381 ( -4.813 8.043 -15.840) 18.405 10.049 ( 6.466 10.450 2.649) 12.571 10.103 ( 0.972 10.457 -2.522) 10.801 10.215 ( -2.577 2.762 1.597) 4.101 10.228 ( -3.859 2.427 0.434) 4.579 11.173 ( 2.313 2.331 2.334) 4.029 11.211 ( -1.315 1.974 -1.336) 2.722 11.384 ( 2.208 -4.375 0.883) 4.980 11.394 ( 1.168 -3.971 -0.031) 4.139 18.353 ( 4.850 0.064 7.050) 8.558 18.431 ( -3.178 0.643 -0.100) 3.244 18.563 ( 1.271 7.020 1.176) 7.230 18.597 ( 0.861 7.988 -1.704) 8.213 18.878 ( -4.410 -4.568 2.825) 6.950 18.980 ( -12.098 -2.404 -6.168) 13.791 19.187 ( -2.859 6.829 0.101) 7.404 19.196 ( -3.242 6.843 -0.918) 7.627 20.811 ( 4.571 -0.432 5.025) 6.807 20.857 ( -0.678 -2.553 2.333) 3.524 20.910 ( 2.279 -5.105 -2.136) 5.985 20.933 ( -0.101 -2.884 -3.458) 4.504 21.318 ( 1.278 2.291 0.368) 2.649 21.326 ( 1.204 4.495 -0.488) 4.679 21.344 ( 0.027 5.887 -0.855) 5.949 21.350 ( -0.320 5.971 -1.212) 6.101 21.893 ( 5.007 -2.796 5.965) 8.275 21.940 ( -0.367 -3.156 4.257) 5.312 22.018 ( 3.724 -4.004 -5.367) 7.662 22.052 ( 0.643 -4.331 -7.316) 8.526 44.292 ( 1.836 -0.333 3.275) 3.770 44.324 ( -1.518 -0.564 0.519) 1.701 44.760 ( 0.680 -8.547 1.287) 8.670 44.797 ( -3.154 -9.097 -2.009) 9.836 45.230 ( 0.892 -6.705 0.453) 6.779 45.238 ( 0.015 -6.472 -0.298) 6.479 45.373 ( 0.390 4.480 -0.068) 4.498 45.376 ( 0.070 4.553 -0.336) 4.566 45.815 ( 4.968 6.144 4.129) 8.915 45.876 ( -0.375 6.068 -0.465) 6.097 46.086 ( 3.871 11.391 0.876) 12.063 46.184 ( -5.295 10.904 -7.398) 14.201 47.278 ( 0.343 -2.139 0.344) 2.193 47.289 ( -0.832 -2.347 -0.643) 2.572 47.409 ( 0.507 -1.754 0.043) 1.826 47.412 ( 0.125 -1.875 -0.262) 1.897 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 0.000 15.446 14.435) 21.141 1.329 ( 0.000 15.855 13.273) 20.678 1.584 ( 0.000 11.883 -11.075) 16.244 1.624 ( 0.000 10.476 -15.691) 18.866 2.135 ( 0.000 22.095 20.622) 30.224 2.317 ( 0.000 2.181 9.381) 9.631 2.382 ( 0.000 0.821 -3.340) 3.439 2.508 ( 0.000 5.874 1.563) 6.078 2.533 ( 0.000 -1.890 -0.561) 1.972 2.548 ( 0.000 0.332 1.946) 1.975 2.583 ( 0.000 9.790 -8.103) 12.709 2.642 ( 0.000 5.708 -14.287) 15.385 2.759 ( 0.000 -0.559 3.079) 3.130 2.820 ( 0.000 -3.871 -1.494) 4.149 2.886 ( 0.000 -2.146 -0.297) 2.167 2.893 ( 0.000 -3.747 -0.324) 3.761 2.904 ( 0.000 -4.420 2.384) 5.022 2.933 ( 0.000 -5.792 -1.724) 6.043 3.123 ( 0.000 -0.508 0.951) 1.078 3.157 ( 0.000 -2.064 0.101) 2.066 3.197 ( 0.000 -5.552 -1.818) 5.842 3.255 ( 0.000 -2.775 -5.876) 6.498 3.629 ( 0.000 2.767 2.759) 3.908 3.717 ( 0.000 4.231 -5.076) 6.608 3.773 ( 0.000 -3.926 4.383) 5.884 3.844 ( 0.000 -0.892 -2.280) 2.448 3.973 ( 0.000 0.029 1.829) 1.829 3.980 ( 0.000 -2.801 3.291) 4.321 4.071 ( 0.000 -2.373 1.362) 2.736 4.165 ( 0.000 0.225 -6.125) 6.129 4.310 ( 0.000 1.983 2.187) 2.952 4.333 ( 0.000 -3.480 -0.258) 3.489 4.396 ( 0.000 -8.089 1.516) 8.229 4.416 ( 0.000 -2.656 -0.836) 2.784 4.688 ( 0.000 3.265 3.840) 5.040 4.745 ( 0.000 0.802 -1.361) 1.580 8.686 ( 0.000 7.909 10.225) 12.927 8.926 ( 0.000 2.550 -12.906) 13.155 9.300 ( 0.000 11.021 20.804) 23.543 9.685 ( 0.000 3.353 -15.970) 16.318 9.848 ( 0.000 17.271 9.588) 19.754 10.077 ( 0.000 11.944 -11.905) 16.864 10.638 ( 0.000 5.710 8.055) 9.874 10.794 ( 0.000 5.342 -7.186) 8.954 10.826 ( 0.000 4.069 6.916) 8.025 10.986 ( 0.000 -0.480 -8.234) 8.248 11.395 ( 0.000 8.618 8.756) 12.285 11.548 ( 0.000 8.220 -6.499) 10.479 18.082 ( 0.000 -3.720 10.707) 11.335 18.295 ( 0.000 -5.200 -10.261) 11.503 19.111 ( 0.000 2.329 5.213) 5.710 19.183 ( 0.000 3.472 -2.295) 4.162 19.528 ( 0.000 15.313 2.343) 15.491 19.582 ( 0.000 14.374 -3.026) 14.689 19.661 ( 0.000 3.726 2.957) 4.757 19.731 ( 0.000 2.545 -3.697) 4.488 20.347 ( 0.000 -11.288 5.736) 12.661 20.441 ( 0.000 -10.927 -2.395) 11.187 20.736 ( 0.000 -2.334 8.335) 8.656 20.912 ( 0.000 1.259 -4.483) 4.657 21.072 ( 0.000 0.399 -4.460) 4.478 21.104 ( 0.000 0.655 -3.953) 4.007 21.419 ( 0.000 5.976 0.090) 5.976 21.438 ( 0.000 6.404 -1.475) 6.572 21.560 ( 0.000 3.921 2.676) 4.747 21.617 ( 0.000 3.380 -2.934) 4.475 21.807 ( 0.000 -4.561 2.050) 5.000 21.837 ( 0.000 -4.521 -0.899) 4.609 44.234 ( 0.000 0.772 4.558) 4.623 44.341 ( 0.000 -0.963 -5.867) 5.945 44.631 ( 0.000 -11.035 7.148) 13.147 44.746 ( 0.000 -13.018 -4.416) 13.747 45.061 ( 0.000 -0.607 2.615) 2.685 45.107 ( 0.000 -1.100 -2.054) 2.330 45.322 ( 0.000 -1.091 3.351) 3.524 45.382 ( 0.000 -0.047 -2.542) 2.543 45.766 ( 0.000 9.375 0.777) 9.407 45.790 ( 0.000 10.182 -1.592) 10.306 46.464 ( 0.000 14.823 5.756) 15.901 46.603 ( 0.000 13.018 -8.183) 15.376 47.219 ( 0.000 -1.886 1.352) 2.321 47.247 ( 0.000 -2.785 -1.420) 3.126 47.334 ( 0.000 -5.013 0.663) 5.056 47.344 ( 0.000 -4.750 -0.381) 4.766 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.14 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( 2.339 15.598 13.188) 20.559 1.380 ( 6.866 14.316 13.156) 20.620 1.610 ( 2.734 11.481 -11.335) 16.364 1.679 ( 5.705 9.950 -14.839) 18.755 2.240 ( 9.583 18.742 16.248) 26.592 2.308 ( -1.363 2.977 8.380) 8.997 2.384 ( -1.592 -0.289 -1.197) 2.013 2.442 ( -6.553 6.942 2.199) 9.796 2.488 ( -1.564 1.036 -1.047) 2.149 2.515 ( -5.685 2.333 -3.076) 6.872 2.569 ( 1.615 2.293 -1.683) 3.271 2.663 ( 1.483 4.907 -8.421) 9.859 2.775 ( 1.540 -0.766 -0.070) 1.721 2.794 ( -1.644 -3.157 -1.244) 3.771 2.879 ( 0.142 -2.606 1.553) 3.037 2.910 ( 2.125 -4.663 -1.601) 5.369 2.983 ( 6.390 0.598 0.885) 6.479 3.026 ( 7.136 -4.354 -1.289) 8.458 3.098 ( -1.157 -3.144 -2.229) 4.024 3.123 ( -3.562 0.724 -5.117) 6.277 3.216 ( 3.037 -4.633 3.400) 6.500 3.292 ( 2.884 -3.201 -4.053) 5.915 3.626 ( -0.201 1.132 3.062) 3.270 3.707 ( -1.687 0.694 -3.528) 3.972 3.793 ( 2.472 -0.751 3.164) 4.084 3.856 ( 0.288 0.678 -1.952) 2.086 3.945 ( -2.273 -2.012 3.124) 4.356 3.988 ( 0.479 -2.530 0.304) 2.593 4.062 ( -0.991 -1.538 2.104) 2.788 4.142 ( -2.286 -0.068 -4.134) 4.724 4.257 ( -3.568 0.877 1.202) 3.866 4.288 ( -4.024 -1.802 -1.337) 4.607 4.411 ( 0.407 -3.609 2.130) 4.211 4.444 ( 2.055 -5.555 -0.935) 5.996 4.674 ( -1.535 2.479 3.645) 4.667 4.730 ( -1.843 0.950 -1.367) 2.484 8.707 ( 2.298 9.296 10.646) 14.319 8.934 ( 0.706 5.114 -9.543) 10.850 9.314 ( 1.662 10.497 16.647) 19.750 9.678 ( -1.057 5.910 -17.038) 18.065 9.927 ( 8.111 15.182 9.355) 19.590 10.127 ( 4.977 11.252 -9.873) 15.775 10.562 ( -7.137 6.278 5.040) 10.758 10.628 ( -9.439 8.517 -1.618) 12.815 10.971 ( 7.459 0.488 1.268) 7.582 11.035 ( 4.407 -1.526 -4.810) 6.699 11.386 ( -1.010 6.899 7.690) 10.381 11.524 ( -2.619 7.107 -5.954) 9.634 18.117 ( 3.799 -2.924 10.489) 11.533 18.327 ( 3.483 -4.437 -10.199) 11.655 18.975 ( -13.051 4.448 4.047) 14.370 19.023 ( -12.990 6.946 -1.223) 14.781 19.388 ( -14.846 6.387 5.456) 17.058 19.454 ( -8.258 9.781 -0.661) 12.817 19.578 ( -7.834 7.458 1.307) 10.895 19.666 ( -8.768 3.889 -7.743) 12.327 20.472 ( 10.252 -8.118 4.691) 13.893 20.539 ( 8.740 -8.089 0.099) 11.909 20.730 ( 2.660 0.934 8.176) 8.648 20.952 ( 0.625 4.269 -11.186) 11.989 21.149 ( 9.871 -2.937 4.095) 11.083 21.242 ( 7.956 -1.369 -4.906) 9.446 21.432 ( 1.145 5.729 -0.248) 5.848 21.448 ( 0.913 6.303 -1.379) 6.516 21.600 ( 4.562 2.470 3.273) 6.134 21.677 ( 6.393 0.473 -4.458) 7.809 21.822 ( 1.600 -4.571 1.535) 5.080 21.847 ( 1.283 -4.666 -1.012) 4.944 44.241 ( 0.774 0.697 4.364) 4.487 44.339 ( -0.221 -0.867 -4.986) 5.066 44.617 ( -1.282 -9.824 6.209) 11.692 44.720 ( -2.499 -11.754 -3.967) 12.655 45.074 ( 1.326 -1.531 2.454) 3.182 45.120 ( 1.076 -1.803 -2.209) 3.048 45.340 ( 1.794 -1.135 2.855) 3.558 45.392 ( 0.953 -0.072 -2.211) 2.408 45.796 ( 3.323 9.741 2.081) 10.500 45.846 ( 5.392 9.671 -2.813) 11.424 46.427 ( -3.609 14.475 6.518) 16.280 46.580 ( -2.551 12.293 -8.718) 15.285 47.224 ( 0.462 -2.055 1.294) 2.472 47.252 ( 0.240 -2.975 -1.311) 3.260 47.332 ( 0.026 -4.430 0.544) 4.463 47.341 ( -0.132 -4.463 -0.385) 4.482 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.29 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 7.367 13.352 10.801) 18.687 1.548 ( 10.417 11.620 8.644) 17.840 1.684 ( 5.003 10.181 -7.792) 13.762 1.822 ( 9.178 8.702 -12.837) 18.021 2.224 ( -7.602 4.108 6.060) 10.554 2.257 ( -8.857 6.432 3.183) 11.400 2.311 ( -7.227 5.043 -2.433) 9.142 2.354 ( -5.693 3.436 -4.573) 8.070 2.474 ( 7.426 7.153 6.261) 12.063 2.554 ( 5.200 4.629 -1.679) 7.161 2.605 ( 2.073 0.702 3.082) 3.780 2.671 ( 0.028 0.349 -0.384) 0.520 2.773 ( 0.429 -4.616 1.301) 4.815 2.810 ( 1.409 -1.735 -2.328) 3.227 2.901 ( 2.377 -1.476 1.234) 3.058 2.956 ( 1.148 -4.737 -0.980) 4.972 3.037 ( -1.271 -1.734 1.002) 2.372 3.089 ( 3.752 2.597 -1.416) 4.778 3.143 ( 5.704 -0.200 -4.422) 7.220 3.171 ( 5.920 -1.335 -3.449) 6.980 3.277 ( 3.159 -1.709 4.099) 5.450 3.356 ( 4.286 -1.146 -3.788) 5.833 3.634 ( 1.380 -2.234 2.185) 3.416 3.682 ( -0.492 -1.211 -1.232) 1.796 3.804 ( -6.978 4.155 3.113) 8.697 3.832 ( 0.155 0.220 -0.936) 0.974 3.889 ( -2.242 -0.216 2.450) 3.328 3.969 ( -4.443 -3.263 -4.687) 7.236 4.060 ( 1.758 -1.872 2.855) 3.840 4.091 ( -2.433 -1.640 0.102) 2.936 4.220 ( -0.630 0.092 -0.072) 0.641 4.240 ( 0.007 -1.760 -2.536) 3.087 4.406 ( -0.384 -1.930 3.975) 4.435 4.467 ( 0.591 -3.720 -1.898) 4.218 4.626 ( -3.769 1.104 3.084) 4.993 4.673 ( -4.232 1.369 -1.329) 4.642 8.771 ( 4.398 12.443 11.374) 17.422 8.945 ( 0.229 11.034 -0.854) 11.070 9.365 ( 3.819 9.124 5.514) 11.324 9.640 ( -3.114 8.473 -16.578) 18.876 10.115 ( 10.834 13.313 6.476) 18.345 10.234 ( 5.445 9.631 -4.650) 12.001 10.418 ( -7.155 7.466 2.958) 10.756 10.475 ( -6.398 11.580 -3.195) 13.610 11.091 ( 5.758 -2.285 2.006) 6.511 11.125 ( 4.953 -3.288 -1.705) 6.185 11.354 ( -2.587 2.495 5.011) 6.166 11.450 ( -5.344 4.026 -4.378) 7.996 18.221 ( 7.243 -0.970 9.735) 12.173 18.417 ( 5.421 -2.162 -9.254) 10.941 18.749 ( -8.479 6.035 3.415) 10.953 18.798 ( -9.663 7.646 -1.726) 12.442 19.101 ( -15.469 4.124 7.612) 17.727 19.244 ( -13.863 2.818 -5.497) 15.177 19.419 ( -7.989 6.082 1.505) 10.152 19.471 ( -10.042 7.309 -4.402) 13.178 20.650 ( 8.053 -4.978 3.685) 10.159 20.693 ( 6.723 -4.922 1.713) 8.507 20.819 ( 5.595 3.367 4.132) 7.728 20.966 ( 0.555 4.536 -7.632) 8.896 21.298 ( 5.526 -0.634 1.930) 5.887 21.341 ( 3.148 -0.012 -1.971) 3.715 21.450 ( 0.565 5.133 0.191) 5.168 21.464 ( 0.661 5.719 -1.094) 5.860 21.718 ( 7.035 -1.353 4.321) 8.367 21.805 ( 5.285 -5.520 -3.040) 8.225 21.863 ( 2.900 -3.958 0.035) 4.907 21.897 ( 3.985 -4.902 -3.688) 7.315 44.262 ( 1.369 0.494 3.760) 4.031 44.331 ( -0.587 -0.582 -2.590) 2.719 44.595 ( -0.785 -8.254 3.686) 9.074 44.667 ( -2.908 -9.725 -2.956) 10.572 45.102 ( 1.542 -2.748 1.524) 3.500 45.136 ( 0.486 -2.632 -1.747) 3.196 45.380 ( 2.161 -0.904 1.710) 2.900 45.412 ( 1.006 -0.071 -1.424) 1.745 45.881 ( 5.488 10.112 3.774) 12.109 45.967 ( 6.676 9.470 -4.534) 12.442 46.348 ( -4.226 13.038 7.162) 15.464 46.507 ( -5.166 10.863 -8.495) 14.726 47.229 ( -0.045 -2.497 0.816) 2.627 47.248 ( -0.631 -3.129 -0.939) 3.327 47.343 ( 1.025 -3.440 0.162) 3.593 47.347 ( 0.776 -3.714 -0.234) 3.801 ======================= Grid point 143 (52/60) ======================= q-point: ( 0.43 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 8.891 9.691 5.929) 14.426 1.693 ( 1.174 7.839 -2.199) 8.226 1.811 ( 10.275 9.013 7.807) 15.740 1.989 ( 3.955 6.137 -6.484) 9.765 2.047 ( -6.540 8.234 3.788) 11.177 2.127 ( -3.547 8.571 -1.978) 9.485 2.173 ( -5.967 6.960 -4.856) 10.375 2.222 ( -7.755 6.021 -7.374) 12.278 2.575 ( 3.572 -0.364 2.594) 4.430 2.609 ( 0.154 -3.035 0.022) 3.039 2.644 ( 1.739 3.449 1.831) 4.275 2.667 ( -0.788 1.049 0.087) 1.315 2.806 ( 2.424 -4.441 -0.348) 5.072 2.830 ( 0.291 -3.871 -2.129) 4.427 2.932 ( -0.255 -5.770 0.368) 5.787 2.945 ( -1.366 -6.246 -0.271) 6.400 3.088 ( 6.929 4.627 5.199) 9.821 3.156 ( 0.962 3.585 1.202) 3.901 3.231 ( 2.821 -0.642 -2.526) 3.841 3.242 ( 1.637 -1.500 -0.698) 2.327 3.349 ( 5.843 1.057 5.383) 8.015 3.452 ( 2.742 2.912 -1.774) 4.375 3.598 ( -5.635 4.341 1.711) 7.316 3.661 ( -3.753 0.754 -2.260) 4.445 3.710 ( 2.661 -3.715 1.682) 4.870 3.791 ( -5.103 0.745 -5.859) 7.805 3.857 ( -0.298 0.712 0.480) 0.909 3.887 ( -2.427 0.293 -2.889) 3.785 4.078 ( 1.083 -4.284 2.499) 5.077 4.093 ( 0.670 -3.887 0.710) 4.008 4.223 ( 0.365 -1.874 0.852) 2.091 4.238 ( -1.032 -3.738 -0.268) 3.887 4.437 ( 4.060 0.512 3.342) 5.283 4.490 ( 2.137 -0.394 -1.328) 2.546 4.540 ( -4.617 0.343 2.005) 5.045 4.581 ( -5.257 1.236 -1.649) 5.647 8.859 ( 4.710 15.351 11.198) 19.576 8.928 ( -2.351 15.484 7.639) 17.426 9.454 ( 5.599 8.366 -6.587) 12.030 9.560 ( -5.330 8.903 -13.836) 17.295 10.262 ( 2.665 6.825 2.351) 7.695 10.290 ( -0.410 6.180 -0.224) 6.197 10.345 ( 2.234 14.640 2.980) 15.106 10.405 ( -2.130 16.185 -2.787) 16.561 11.199 ( 5.893 -2.350 1.338) 6.484 11.216 ( 5.033 -3.639 -0.307) 6.218 11.291 ( -4.074 -2.293 2.168) 5.153 11.333 ( -6.897 -0.281 -1.934) 7.169 18.367 ( 7.447 1.387 7.089) 10.375 18.461 ( -2.018 2.091 -0.955) 3.059 18.700 ( 1.241 5.216 0.714) 5.409 18.744 ( 7.255 1.442 -3.922) 8.373 18.836 ( -11.942 5.579 5.322) 14.215 18.969 ( -14.579 2.137 -7.182) 16.392 19.316 ( -2.546 5.794 0.778) 6.376 19.333 ( -4.380 6.186 -1.092) 7.658 20.758 ( 3.371 -2.983 3.338) 5.603 20.773 ( 1.753 -2.767 2.994) 4.438 20.910 ( 3.841 3.667 -0.616) 5.346 20.959 ( -1.446 3.867 -4.153) 5.856 21.365 ( 1.955 1.806 0.298) 2.678 21.377 ( 0.706 1.437 -0.792) 1.786 21.457 ( 0.430 4.093 0.528) 4.149 21.467 ( -0.394 4.396 -0.489) 4.441 21.824 ( 3.822 -3.878 4.093) 6.811 21.854 ( 0.464 -5.310 2.443) 5.864 21.925 ( 3.038 -4.717 -3.369) 6.545 21.951 ( 0.802 -5.241 -5.202) 7.428 44.289 ( 1.536 0.192 2.547) 2.980 44.315 ( -1.164 -0.186 0.349) 1.230 44.594 ( 0.653 -7.807 0.681) 7.864 44.620 ( -2.068 -8.350 -1.553) 8.741 45.126 ( 0.977 -3.180 0.315) 3.342 45.138 ( -0.262 -3.083 -0.804) 3.197 45.413 ( 1.231 -0.403 0.546) 1.406 45.423 ( 0.092 -0.102 -0.483) 0.503 45.986 ( 5.289 10.669 3.562) 12.429 46.046 ( 0.298 10.517 -1.732) 10.663 46.311 ( 1.660 10.444 2.361) 10.836 46.398 ( -6.142 9.740 -5.556) 12.785 47.228 ( 0.096 -2.684 0.076) 2.687 47.235 ( -0.621 -2.865 -0.538) 2.981 47.360 ( 0.637 -3.103 0.007) 3.168 47.362 ( 0.498 -3.195 -0.104) 3.235 ======================= Grid point 147 (53/60) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.636 ( 0.000 16.947 9.602) 19.478 1.654 ( 0.000 16.789 9.288) 19.187 1.836 ( 0.000 13.447 -8.345) 15.827 1.849 ( 0.000 12.194 -11.171) 16.537 2.322 ( 0.000 -0.682 2.929) 3.007 2.351 ( 0.000 -3.468 0.093) 3.469 2.452 ( 0.000 -4.976 1.235) 5.127 2.462 ( 0.000 -4.366 0.193) 4.371 2.545 ( 0.000 13.887 12.479) 18.670 2.596 ( 0.000 -3.582 2.910) 4.615 2.671 ( 0.000 2.270 -1.460) 2.699 2.736 ( 0.000 -6.001 -1.227) 6.125 2.745 ( 0.000 -3.795 1.971) 4.277 2.792 ( 0.000 4.002 -4.452) 5.987 2.841 ( 0.000 -2.289 1.256) 2.611 2.846 ( 0.000 5.504 1.171) 5.627 2.881 ( 0.000 2.078 -1.408) 2.510 2.950 ( 0.000 7.480 -5.814) 9.474 3.058 ( 0.000 -6.005 1.066) 6.099 3.084 ( 0.000 0.271 -5.199) 5.206 3.162 ( 0.000 -0.413 -0.753) 0.858 3.204 ( 0.000 -1.823 -5.469) 5.765 3.679 ( 0.000 -3.898 4.992) 6.333 3.681 ( 0.000 1.957 4.051) 4.499 3.776 ( 0.000 1.702 -2.691) 3.184 3.794 ( 0.000 -3.474 -4.806) 5.930 3.900 ( 0.000 -5.650 5.409) 7.822 3.971 ( 0.000 -2.005 -1.661) 2.603 4.015 ( 0.000 -4.233 -0.276) 4.242 4.067 ( 0.000 -8.325 -6.071) 10.304 4.254 ( 0.000 -2.050 2.200) 3.007 4.286 ( 0.000 -0.310 -1.516) 1.548 4.389 ( 0.000 2.927 2.861) 4.092 4.425 ( 0.000 1.579 -0.608) 1.692 4.742 ( 0.000 2.158 2.477) 3.285 4.764 ( 0.000 0.868 0.521) 1.012 8.808 ( 0.000 4.568 4.357) 6.313 8.945 ( 0.000 -0.495 -8.694) 8.708 9.484 ( 0.000 7.372 13.941) 15.770 9.695 ( 0.000 -1.168 -5.963) 6.077 10.205 ( 0.000 16.488 2.969) 16.753 10.299 ( 0.000 9.986 -5.335) 11.322 10.773 ( 0.000 7.516 7.629) 10.709 10.912 ( 0.000 6.213 -5.896) 8.566 10.958 ( 0.000 8.331 -0.839) 8.374 10.994 ( 0.000 1.024 -3.900) 4.032 11.536 ( 0.000 5.652 7.668) 9.526 11.672 ( 0.000 3.879 -5.878) 7.043 18.055 ( 0.000 0.521 6.818) 6.837 18.207 ( 0.000 -3.846 -7.950) 8.831 19.147 ( 0.000 1.507 5.493) 5.696 19.234 ( 0.000 1.211 -3.255) 3.473 19.727 ( 0.000 -0.057 0.354) 0.359 19.734 ( 0.000 4.593 -0.437) 4.614 19.853 ( 0.000 16.349 1.955) 16.465 19.895 ( 0.000 14.967 -2.305) 15.144 20.132 ( 0.000 -10.262 5.598) 11.690 20.243 ( 0.000 -9.270 -4.961) 10.514 20.755 ( 0.000 2.842 11.824) 12.161 20.912 ( 0.000 -2.106 0.802) 2.253 21.102 ( 0.000 2.539 -9.084) 9.432 21.103 ( 0.000 -0.170 -5.082) 5.084 21.524 ( 0.000 4.219 0.383) 4.237 21.548 ( 0.000 3.514 -1.765) 3.932 21.572 ( 0.000 -1.293 2.760) 3.047 21.618 ( 0.000 -2.685 -1.795) 3.229 21.747 ( 0.000 -1.175 1.490) 1.897 21.767 ( 0.000 -2.041 -0.376) 2.075 44.259 ( 0.000 1.736 2.788) 3.284 44.328 ( 0.000 -0.299 -3.963) 3.974 44.477 ( 0.000 -5.303 3.796) 6.521 44.543 ( 0.000 -7.968 -2.717) 8.418 45.063 ( 0.000 0.690 2.097) 2.208 45.100 ( 0.000 0.116 -1.603) 1.607 45.297 ( 0.000 -1.168 3.263) 3.466 45.359 ( 0.000 -1.959 -2.812) 3.427 45.949 ( 0.000 8.567 1.038) 8.630 45.973 ( 0.000 7.990 -1.311) 8.097 46.706 ( 0.000 9.944 4.063) 10.742 46.796 ( 0.000 7.149 -4.778) 8.598 47.179 ( 0.000 -2.050 0.690) 2.163 47.190 ( 0.000 -2.823 -0.410) 2.852 47.239 ( 0.000 -4.491 0.452) 4.514 47.252 ( 0.000 -4.438 -0.799) 4.509 ======================= Grid point 148 (54/60) ======================= q-point: ( 0.14 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 1.628 15.988 9.014) 18.426 1.685 ( 4.330 16.335 9.083) 19.185 1.847 ( 1.526 12.124 -8.196) 14.714 1.895 ( 4.431 12.050 -10.551) 16.618 2.314 ( -0.708 -1.785 2.363) 3.045 2.339 ( -1.663 -3.567 -0.285) 3.946 2.422 ( -4.060 -2.915 2.779) 5.719 2.450 ( -0.333 -2.601 0.186) 2.629 2.555 ( -2.662 0.781 1.905) 3.365 2.600 ( 3.314 4.458 2.672) 6.165 2.652 ( 0.660 4.071 1.365) 4.344 2.718 ( -1.709 -3.533 0.695) 3.986 2.759 ( 0.614 0.280 -0.523) 0.854 2.770 ( -0.824 2.359 -0.122) 2.502 2.849 ( 0.433 3.668 1.230) 3.893 2.886 ( -0.946 1.672 0.051) 1.922 2.939 ( 7.173 -3.591 0.693) 8.052 3.001 ( 5.465 0.772 -3.816) 6.710 3.067 ( 0.070 -0.496 0.807) 0.950 3.122 ( 4.279 -1.772 1.564) 4.889 3.183 ( 0.776 5.153 -7.945) 9.501 3.220 ( 4.750 -3.326 -5.008) 7.661 3.613 ( -2.829 -2.799 3.556) 5.338 3.681 ( -3.608 -1.088 -2.396) 4.466 3.782 ( 3.707 -0.595 5.405) 6.581 3.863 ( -1.641 -6.063 2.199) 6.655 3.890 ( 3.498 1.811 -2.192) 4.508 3.916 ( -2.336 -5.270 -2.398) 6.243 4.039 ( 0.242 -2.189 0.508) 2.260 4.075 ( 0.145 -6.008 -4.860) 7.729 4.226 ( -2.684 -1.508 2.238) 3.806 4.256 ( -3.300 -0.544 -0.610) 3.400 4.399 ( 1.286 1.407 1.269) 2.290 4.418 ( -0.569 1.606 -0.241) 1.721 4.720 ( -2.326 1.915 2.732) 4.067 4.749 ( -1.737 0.787 0.040) 1.908 8.860 ( 5.392 6.175 4.840) 9.520 8.999 ( 5.578 1.489 -8.256) 10.074 9.499 ( 1.460 7.849 13.301) 15.513 9.724 ( 2.427 -0.255 -7.928) 8.295 10.246 ( 4.378 14.786 3.054) 15.720 10.324 ( 2.537 8.482 -3.941) 9.690 10.715 ( -5.433 8.871 5.909) 11.963 10.827 ( -5.595 10.473 -5.575) 13.117 11.012 ( 2.695 2.422 -0.685) 3.687 11.029 ( 3.005 1.556 -2.363) 4.127 11.497 ( -4.034 4.366 7.354) 9.456 11.628 ( -4.644 3.028 -5.674) 7.933 18.100 ( 4.723 0.732 6.725) 8.250 18.250 ( 4.551 -3.551 -7.899) 9.784 19.038 ( -10.403 2.355 5.291) 11.907 19.118 ( -10.663 2.500 -2.789) 11.301 19.515 ( -16.114 6.632 2.396) 17.590 19.561 ( -13.572 2.142 -1.699) 13.844 19.724 ( -10.951 7.405 2.914) 13.537 19.796 ( -10.690 5.041 -4.395) 12.610 20.344 ( 15.901 -1.869 3.982) 16.499 20.423 ( 14.071 -2.923 -3.320) 14.750 20.809 ( 5.780 5.188 11.398) 13.793 21.031 ( 7.093 0.688 -7.307) 10.206 21.088 ( 3.689 -0.967 2.133) 4.370 21.202 ( 6.045 -2.330 -7.076) 9.594 21.524 ( -0.190 2.694 1.137) 2.931 21.552 ( 0.023 3.543 -1.558) 3.871 21.606 ( 3.732 -1.060 1.740) 4.252 21.642 ( 2.515 -3.468 -1.553) 4.557 21.760 ( 1.462 -1.235 1.139) 2.227 21.781 ( 1.633 -1.750 -0.851) 2.540 44.264 ( 0.610 1.655 2.685) 3.212 44.329 ( 0.023 -0.157 -3.445) 3.449 44.473 ( -0.398 -5.187 3.342) 6.183 44.532 ( -1.052 -7.492 -2.434) 7.947 45.070 ( 0.788 0.839 2.049) 2.350 45.110 ( 0.854 0.357 -1.961) 2.168 45.309 ( 1.217 -1.755 3.060) 3.732 45.366 ( 0.618 -2.261 -2.530) 3.449 45.984 ( 3.657 8.722 1.731) 9.615 46.022 ( 4.926 7.681 -2.013) 9.344 46.665 ( -4.168 9.817 4.499) 11.576 46.763 ( -3.523 6.681 -5.091) 9.108 47.183 ( 0.238 -2.055 0.651) 2.168 47.194 ( 0.262 -2.640 -0.372) 2.679 47.246 ( 0.886 -4.149 0.207) 4.247 47.255 ( 0.419 -4.206 -0.579) 4.266 ======================= Grid point 149 (55/60) ======================= q-point: ( 0.29 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 4.073 14.172 7.782) 16.673 1.794 ( 6.375 12.930 5.114) 15.296 1.890 ( 3.254 10.566 -3.718) 11.664 2.005 ( 7.062 10.040 -9.689) 15.638 2.286 ( -4.194 -1.438 1.079) 4.563 2.295 ( -1.871 0.258 1.848) 2.642 2.326 ( -5.061 -1.951 1.292) 5.575 2.401 ( -4.614 1.841 -3.554) 6.108 2.556 ( 2.078 1.871 1.918) 3.391 2.615 ( -1.443 0.911 -3.749) 4.119 2.676 ( 0.238 -2.042 1.330) 2.449 2.694 ( -0.027 0.280 0.720) 0.773 2.759 ( 0.169 1.066 1.355) 1.732 2.779 ( 0.713 3.954 -1.696) 4.361 2.843 ( -1.848 -4.912 0.337) 5.259 2.859 ( -1.663 -0.518 -0.642) 1.857 3.052 ( 5.296 0.953 4.648) 7.111 3.093 ( 4.028 -3.826 0.367) 5.568 3.122 ( 5.772 0.524 -0.027) 5.796 3.192 ( 2.592 1.520 -0.624) 3.069 3.243 ( 6.235 1.260 0.183) 6.364 3.365 ( 9.094 3.197 -7.981) 12.515 3.582 ( -0.011 -2.976 3.160) 4.341 3.641 ( 0.372 -2.244 -1.692) 2.835 3.799 ( -2.200 -2.373 3.032) 4.434 3.850 ( 0.561 -4.380 2.748) 5.201 3.869 ( -3.034 -0.700 -0.973) 3.262 3.951 ( 0.770 2.457 -0.909) 2.731 4.022 ( -0.954 -2.707 -0.855) 2.995 4.044 ( -3.766 -2.582 -2.961) 5.442 4.172 ( -2.669 -2.645 1.477) 4.038 4.192 ( -2.548 -2.274 0.043) 3.416 4.416 ( 0.939 1.964 1.036) 2.411 4.435 ( 2.491 0.181 -0.819) 2.628 4.657 ( -4.294 1.644 2.912) 5.442 4.696 ( -4.061 0.701 -0.594) 4.163 8.996 ( 8.689 10.055 6.070) 14.610 9.133 ( 7.982 7.266 -6.065) 12.381 9.530 ( 1.680 7.570 9.491) 12.256 9.750 ( -0.488 2.511 -10.594) 10.899 10.348 ( 4.674 9.067 2.026) 10.400 10.388 ( 4.343 6.589 -1.369) 8.009 10.614 ( -3.828 11.639 5.841) 13.573 10.742 ( -2.925 13.086 -6.799) 15.034 11.058 ( 2.276 -1.051 1.034) 2.712 11.076 ( 2.030 -0.819 -0.885) 2.361 11.396 ( -6.236 1.644 5.973) 8.790 11.506 ( -8.138 1.249 -4.826) 9.543 18.226 ( 8.639 1.248 6.504) 10.885 18.369 ( 7.912 -2.644 -7.452) 11.186 18.830 ( -10.380 2.824 5.088) 11.900 18.907 ( -10.682 2.890 -2.642) 11.377 19.226 ( -14.280 7.821 3.697) 16.696 19.302 ( -13.667 3.876 -3.264) 14.576 19.516 ( -10.021 2.814 2.002) 10.599 19.571 ( -11.741 1.758 -3.775) 12.457 20.611 ( 11.893 2.490 3.165) 12.556 20.661 ( 10.398 1.955 -1.130) 10.641 20.927 ( 5.896 6.413 6.788) 11.044 21.071 ( 0.415 5.791 -6.310) 8.575 21.237 ( 7.844 -5.827 1.908) 9.956 21.295 ( 3.748 -4.496 -3.346) 6.742 21.508 ( -1.651 0.120 1.754) 2.412 21.538 ( -1.655 0.665 -1.400) 2.267 21.697 ( 5.196 -0.389 0.995) 5.305 21.706 ( 4.060 -3.299 0.005) 5.231 21.804 ( 3.096 -1.497 0.103) 3.441 21.831 ( 3.309 -1.878 -2.368) 4.481 44.281 ( 1.075 1.424 2.356) 2.955 44.328 ( -0.158 0.224 -1.937) 1.956 44.465 ( -0.310 -5.087 2.045) 5.492 44.508 ( -1.482 -6.528 -1.813) 6.936 45.090 ( 1.230 1.141 1.412) 2.193 45.123 ( 0.411 1.008 -1.874) 2.167 45.339 ( 1.802 -2.957 2.113) 4.056 45.378 ( 0.574 -3.000 -1.767) 3.528 46.078 ( 6.193 9.236 2.849) 11.479 46.140 ( 7.238 7.600 -3.266) 10.991 46.564 ( -6.185 8.923 5.088) 11.991 46.669 ( -6.369 5.711 -5.161) 9.991 47.184 ( 0.005 -1.795 0.417) 1.843 47.195 ( -0.172 -2.034 -0.503) 2.102 47.270 ( 1.472 -3.796 -0.000) 4.072 47.272 ( 1.290 -3.836 -0.143) 4.050 ======================= Grid point 150 (56/60) ======================= q-point: ( 0.43 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 4.914 10.547 4.487) 12.470 1.859 ( -0.384 8.567 -0.642) 8.600 1.995 ( 7.843 9.647 5.561) 13.620 2.119 ( -0.002 6.875 -3.201) 7.584 2.193 ( -0.232 6.510 0.132) 6.515 2.253 ( -1.251 2.035 -0.813) 2.524 2.266 ( -2.241 0.668 -2.947) 3.762 2.300 ( -6.195 3.805 -5.429) 9.074 2.575 ( 0.133 2.496 -0.308) 2.519 2.588 ( -1.194 1.578 -1.641) 2.571 2.685 ( 1.989 -1.240 4.079) 4.704 2.713 ( 0.040 -2.154 1.650) 2.714 2.763 ( 0.862 -5.084 -1.137) 5.281 2.789 ( 0.582 4.617 -3.522) 5.836 2.799 ( -2.285 -7.460 -0.277) 7.807 2.818 ( -2.248 0.296 -2.553) 3.415 3.137 ( 3.252 -3.112 1.935) 4.899 3.152 ( 1.733 -5.347 0.079) 5.621 3.194 ( 1.616 -0.469 0.701) 1.823 3.221 ( -0.845 -0.305 -1.517) 1.763 3.399 ( 11.283 5.199 6.925) 14.223 3.522 ( 5.270 4.145 -4.241) 7.934 3.624 ( 3.161 -1.424 3.527) 4.945 3.647 ( -3.817 -0.178 1.783) 4.217 3.734 ( -1.394 3.668 1.477) 4.193 3.789 ( -5.150 -1.209 -4.331) 6.836 3.841 ( 0.852 -2.669 1.491) 3.174 3.925 ( -5.124 1.440 -4.765) 7.144 3.991 ( 2.046 -3.552 2.979) 5.067 4.031 ( -0.006 -1.368 -1.478) 2.014 4.129 ( -1.238 -5.258 1.048) 5.503 4.151 ( -2.353 -4.354 -0.812) 5.015 4.467 ( 4.483 1.979 2.053) 5.313 4.502 ( 4.784 0.836 -1.185) 4.999 4.565 ( -5.415 1.627 2.664) 6.250 4.603 ( -5.574 0.805 -0.946) 5.711 9.158 ( 7.770 14.326 6.864) 17.684 9.235 ( 0.901 14.852 2.019) 15.016 9.578 ( 4.596 3.947 -1.918) 6.355 9.690 ( -5.730 3.746 -10.116) 12.214 10.393 ( 1.414 7.053 2.199) 7.522 10.422 ( -1.321 7.551 -0.346) 7.674 10.640 ( 5.455 12.177 3.280) 13.740 10.713 ( -1.593 12.523 -3.658) 13.143 11.098 ( 1.837 -4.488 1.060) 4.964 11.105 ( 0.996 -4.480 0.301) 4.600 11.301 ( -2.505 0.607 2.485) 3.580 11.351 ( -7.220 0.520 -2.456) 7.644 18.404 ( 9.593 2.267 5.608) 11.341 18.499 ( 2.876 1.403 -2.870) 4.298 18.690 ( -2.970 -2.514 2.501) 4.626 18.747 ( -6.419 -0.833 -2.309) 6.872 19.027 ( -5.215 10.460 1.100) 11.739 19.076 ( -9.359 7.766 -3.392) 12.626 19.387 ( -3.290 0.929 0.592) 3.469 19.405 ( -5.322 0.694 -1.380) 5.542 20.770 ( 4.897 4.753 2.499) 7.268 20.788 ( 2.977 4.558 1.141) 5.562 21.015 ( 3.592 6.704 1.129) 7.689 21.062 ( -1.443 6.410 -2.932) 7.195 21.344 ( 3.270 -4.974 0.109) 5.954 21.350 ( 2.168 -4.795 -0.431) 5.280 21.474 ( -1.144 -2.447 1.150) 2.936 21.494 ( -2.640 -2.330 -0.890) 3.632 21.768 ( 2.404 -1.404 1.775) 3.301 21.774 ( 2.056 -1.084 1.479) 2.755 21.859 ( 2.349 -1.933 -1.672) 3.471 21.875 ( 0.886 -2.334 -2.921) 3.842 44.302 ( 1.155 1.093 1.623) 2.272 44.320 ( -0.713 0.695 0.110) 1.002 44.466 ( 0.430 -5.264 0.299) 5.290 44.481 ( -1.221 -5.725 -1.013) 5.941 45.111 ( 0.974 1.453 0.267) 1.770 45.124 ( -0.332 1.472 -0.956) 1.787 45.369 ( 1.258 -3.748 0.664) 4.008 45.382 ( -0.205 -3.691 -0.685) 3.760 46.199 ( 6.196 10.333 2.807) 12.371 46.252 ( 2.651 9.766 -2.247) 10.366 46.472 ( -1.678 5.799 2.942) 6.716 46.540 ( -6.848 4.658 -3.600) 9.031 47.186 ( 0.169 -1.367 -0.003) 1.377 47.190 ( -0.270 -1.453 -0.378) 1.526 47.292 ( 0.689 -3.726 0.013) 3.789 47.292 ( 0.667 -3.734 -0.012) 3.793 ======================= Grid point 154 (57/60) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 0.000 13.881 5.783) 15.037 1.968 ( 0.000 14.935 6.160) 16.156 2.061 ( 0.000 6.467 -4.602) 7.938 2.090 ( 0.000 11.732 -5.470) 12.945 2.221 ( 0.000 -9.696 2.965) 10.140 2.250 ( 0.000 -5.917 0.063) 5.918 2.362 ( 0.000 -6.062 -1.349) 6.211 2.362 ( 0.000 -4.355 -1.175) 4.511 2.521 ( 0.000 -2.563 2.213) 3.386 2.552 ( 0.000 -5.551 0.740) 5.600 2.631 ( 0.000 -2.323 -1.202) 2.615 2.633 ( 0.000 -1.819 -2.405) 3.016 2.816 ( 0.000 5.237 3.095) 6.083 2.821 ( 0.000 2.305 3.436) 4.138 2.860 ( 0.000 -2.634 1.350) 2.959 2.881 ( 0.000 2.045 -2.466) 3.204 2.957 ( 0.000 -1.076 -1.946) 2.224 2.968 ( 0.000 -2.224 -2.095) 3.055 3.081 ( 0.000 -2.263 -1.588) 2.765 3.107 ( 0.000 -0.492 -3.164) 3.202 3.160 ( 0.000 14.018 8.293) 16.287 3.318 ( 0.000 6.490 -6.551) 9.222 3.624 ( 0.000 -5.983 5.004) 7.800 3.641 ( 0.000 -1.285 4.191) 4.384 3.764 ( 0.000 0.101 -2.608) 2.610 3.792 ( 0.000 -0.643 1.408) 1.548 3.800 ( 0.000 -2.223 2.757) 3.541 3.823 ( 0.000 -8.130 -7.008) 10.734 3.960 ( 0.000 -0.496 -4.565) 4.592 3.983 ( 0.000 -2.091 -5.843) 6.206 4.261 ( 0.000 1.416 2.652) 3.006 4.282 ( 0.000 -0.513 0.400) 0.651 4.436 ( 0.000 1.603 1.769) 2.388 4.447 ( 0.000 0.400 0.612) 0.731 4.770 ( 0.000 0.790 1.664) 1.842 4.775 ( 0.000 0.219 1.262) 1.281 8.875 ( 0.000 2.617 -0.521) 2.669 8.919 ( 0.000 -1.903 -4.671) 5.044 9.591 ( 0.000 3.983 6.379) 7.520 9.655 ( 0.000 -2.695 0.195) 2.703 10.431 ( 0.000 5.890 -0.230) 5.894 10.442 ( 0.000 4.043 -1.399) 4.278 10.907 ( 0.000 5.593 4.361) 7.092 10.975 ( 0.000 -1.036 -1.759) 2.041 11.049 ( 0.000 4.588 -0.266) 4.596 11.081 ( 0.000 2.592 -2.777) 3.799 11.628 ( 0.000 4.161 2.956) 5.104 11.692 ( 0.000 -1.684 -3.268) 3.676 18.086 ( 0.000 2.357 1.798) 2.964 18.140 ( 0.000 -3.071 -3.423) 4.599 19.179 ( 0.000 1.986 2.667) 3.325 19.222 ( 0.000 -2.014 -1.663) 2.612 19.772 ( 0.000 5.029 4.158) 6.525 19.844 ( 0.000 5.485 -2.342) 5.964 19.927 ( 0.000 -6.748 3.723) 7.707 20.010 ( 0.000 -6.640 -3.346) 7.436 20.148 ( 0.000 9.354 1.379) 9.456 20.187 ( 0.000 4.788 -2.890) 5.593 20.793 ( 0.000 1.056 8.746) 8.810 20.842 ( 0.000 -4.113 4.358) 5.992 21.115 ( 0.000 1.432 -5.558) 5.740 21.135 ( 0.000 0.167 -8.003) 8.005 21.519 ( 0.000 -1.224 0.681) 1.401 21.532 ( 0.000 -2.260 -0.888) 2.429 21.608 ( 0.000 1.615 0.499) 1.691 21.614 ( 0.000 1.349 -0.184) 1.362 21.739 ( 0.000 -0.085 0.612) 0.618 21.744 ( 0.000 -0.675 0.220) 0.710 44.298 ( 0.000 2.101 0.681) 2.209 44.324 ( 0.000 -0.396 -1.861) 1.903 44.411 ( 0.000 -1.521 1.162) 1.914 44.429 ( 0.000 -3.592 -0.632) 3.647 45.082 ( 0.000 1.153 1.369) 1.790 45.099 ( 0.000 -0.408 -0.242) 0.475 45.289 ( 0.000 0.518 1.177) 1.286 45.317 ( 0.000 -2.104 -1.497) 2.582 46.075 ( 0.000 3.745 0.390) 3.765 46.084 ( 0.000 2.859 -0.462) 2.896 46.852 ( 0.000 4.887 1.699) 5.174 46.885 ( 0.000 1.689 -1.469) 2.238 47.148 ( 0.000 -0.806 0.062) 0.808 47.149 ( 0.000 -1.078 -0.041) 1.079 47.171 ( 0.000 -2.037 0.180) 2.045 47.180 ( 0.000 -2.654 -0.657) 2.734 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.14 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 0.626 13.455 4.978) 14.360 1.986 ( 1.682 13.341 5.699) 14.604 2.056 ( 0.122 7.348 -2.971) 7.927 2.120 ( 2.541 8.340 -5.583) 10.353 2.209 ( -0.837 -6.974 2.509) 7.459 2.248 ( -0.590 -5.450 -1.032) 5.578 2.360 ( 1.082 -4.740 0.302) 4.871 2.378 ( 0.419 -3.905 -0.768) 4.002 2.503 ( -1.086 -2.497 1.216) 2.982 2.551 ( -0.631 -6.469 -1.409) 6.650 2.628 ( 0.039 -0.965 -2.372) 2.561 2.636 ( 0.814 -1.643 -1.955) 2.680 2.833 ( 0.907 5.188 2.598) 5.873 2.851 ( 1.767 1.475 2.194) 3.180 2.879 ( 1.087 -1.254 1.403) 2.173 2.893 ( 1.869 1.055 -0.251) 2.161 2.955 ( -1.767 -0.631 -0.544) 1.953 2.976 ( 0.253 -1.780 -1.827) 2.564 3.093 ( 2.632 -0.971 -0.502) 2.850 3.134 ( 3.205 -4.175 -3.664) 6.413 3.201 ( 5.033 14.293 7.843) 17.063 3.352 ( 3.525 4.528 -5.565) 7.994 3.580 ( -1.948 0.667 3.209) 3.813 3.670 ( -4.899 0.390 -2.832) 5.673 3.679 ( 1.497 -7.462 1.596) 7.776 3.775 ( -3.053 -8.163 -5.840) 10.491 3.824 ( 2.059 1.863 5.349) 6.027 3.886 ( 4.299 -3.482 5.432) 7.754 3.977 ( 1.529 0.279 -7.500) 7.660 4.011 ( 2.104 -2.216 -5.783) 6.541 4.232 ( -3.089 1.177 2.176) 3.957 4.250 ( -3.479 -0.454 0.311) 3.523 4.434 ( 0.033 1.456 1.604) 2.166 4.444 ( -0.271 0.519 0.699) 0.912 4.747 ( -2.425 0.913 1.732) 3.116 4.757 ( -2.088 -0.071 0.882) 2.268 8.952 ( 8.007 3.454 -0.199) 8.723 8.999 ( 8.332 -1.290 -4.640) 9.624 9.617 ( 2.504 4.573 6.132) 8.048 9.689 ( 3.268 -2.885 -0.852) 4.442 10.443 ( 1.268 4.832 -0.480) 5.019 10.447 ( 0.539 3.686 -0.998) 3.857 10.878 ( -2.944 6.881 4.331) 8.647 10.954 ( -2.422 0.255 -2.646) 3.597 11.047 ( 0.221 3.708 1.007) 3.848 11.087 ( 0.490 1.265 -2.455) 2.805 11.571 ( -5.817 3.724 2.978) 7.521 11.636 ( -5.821 -2.063 -3.281) 6.994 18.132 ( 4.900 2.374 1.807) 5.736 18.186 ( 4.863 -3.016 -3.387) 6.650 19.080 ( -9.506 2.160 2.914) 10.175 19.121 ( -9.650 -1.633 -1.168) 9.857 19.628 ( -12.067 4.777 1.071) 13.022 19.641 ( -14.845 5.433 -0.352) 15.812 19.774 ( -14.435 -2.372 0.681) 14.644 19.785 ( -13.539 -3.783 -0.267) 14.060 20.412 ( 18.076 5.528 0.639) 18.913 20.439 ( 18.025 2.592 -1.994) 18.319 20.880 ( 7.565 1.924 8.723) 11.705 20.946 ( 8.578 -5.424 4.085) 10.940 21.133 ( 1.863 2.525 -5.512) 6.342 21.168 ( 2.741 -1.159 -7.352) 7.931 21.517 ( -0.905 -1.178 1.200) 1.910 21.533 ( -0.926 -2.852 -0.477) 3.036 21.625 ( 2.719 1.506 -0.085) 3.109 21.630 ( 2.262 0.977 -0.505) 2.515 21.754 ( 1.612 0.134 0.549) 1.708 21.761 ( 1.805 -0.606 -0.042) 1.904 44.303 ( 0.463 2.056 0.727) 2.229 44.328 ( 0.349 -0.263 -1.708) 1.763 44.406 ( -0.476 -1.582 1.156) 2.016 44.424 ( -0.508 -3.484 -0.596) 3.571 45.096 ( 1.451 1.570 1.291) 2.498 45.116 ( 1.687 -0.192 -0.642) 1.815 45.288 ( -0.072 0.099 1.274) 1.280 45.316 ( -0.098 -2.414 -1.421) 2.803 46.112 ( 3.983 3.946 0.631) 5.642 46.126 ( 4.440 2.555 -0.715) 5.172 46.809 ( -4.499 4.764 1.756) 6.784 46.843 ( -4.359 1.338 -1.552) 4.817 47.154 ( 0.640 -0.508 0.236) 0.850 47.159 ( 0.893 -0.811 -0.154) 1.216 47.181 ( 1.048 -2.142 0.031) 2.385 47.186 ( 0.671 -2.500 -0.447) 2.627 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.29 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( 1.139 11.947 3.869) 12.609 2.015 ( 0.885 8.688 1.077) 8.799 2.077 ( 2.201 6.042 2.348) 6.846 2.158 ( 0.465 -4.143 -2.554) 4.889 2.215 ( 2.517 4.080 -0.963) 4.890 2.238 ( -0.034 -1.890 -1.352) 2.324 2.364 ( -1.407 1.981 1.516) 2.865 2.392 ( 0.712 -2.747 -1.282) 3.114 2.502 ( 1.200 -4.197 -0.594) 4.406 2.535 ( -0.066 -6.939 -2.974) 7.549 2.646 ( 1.396 -1.396 -1.222) 2.322 2.660 ( 1.335 -1.801 -2.171) 3.121 2.808 ( -3.809 4.802 1.585) 6.331 2.832 ( -4.712 5.706 -0.566) 7.422 2.874 ( -0.676 1.806 0.833) 2.100 2.905 ( -0.505 1.350 -1.652) 2.193 2.972 ( 3.698 -5.409 1.423) 6.705 2.987 ( 2.343 -5.274 0.405) 5.786 3.167 ( 3.217 0.926 0.586) 3.399 3.197 ( 1.880 -1.897 -1.391) 3.012 3.343 ( 9.249 8.627 4.913) 13.569 3.439 ( 5.744 0.390 -2.717) 6.366 3.571 ( 1.246 2.893 1.096) 3.335 3.627 ( 1.998 1.795 -2.892) 3.947 3.703 ( 1.229 -6.629 0.239) 6.746 3.748 ( -0.206 -5.117 -2.544) 5.719 3.852 ( 0.405 0.269 5.153) 5.176 3.908 ( -1.619 -5.077 3.507) 6.380 4.016 ( 1.746 2.012 -4.471) 5.205 4.036 ( 0.089 0.007 -4.112) 4.113 4.153 ( -5.204 -0.074 1.422) 5.395 4.160 ( -5.422 -0.891 0.694) 5.539 4.448 ( 1.357 0.938 0.665) 1.778 4.449 ( 1.812 0.751 0.516) 2.028 4.683 ( -4.317 1.019 1.631) 4.726 4.698 ( -4.157 -0.405 0.339) 4.190 9.152 ( 12.745 5.748 0.763) 14.002 9.209 ( 13.444 0.311 -4.691) 14.242 9.659 ( 0.895 5.590 5.155) 7.657 9.743 ( 1.299 -2.756 -3.075) 4.328 10.466 ( 1.837 3.613 0.225) 4.060 10.484 ( 3.333 2.207 -1.341) 4.217 10.808 ( -4.406 7.194 4.491) 9.558 10.886 ( -4.789 0.259 -2.886) 5.597 11.066 ( 1.859 3.041 1.754) 3.973 11.102 ( 1.352 1.052 -1.656) 2.383 11.429 ( -8.694 2.461 2.905) 9.491 11.490 ( -9.185 -2.691 -3.023) 10.037 18.263 ( 8.944 2.405 1.931) 9.461 18.315 ( 8.793 -2.809 -3.128) 9.747 18.877 ( -11.264 2.251 3.109) 11.900 18.916 ( -11.418 -1.332 -0.663) 11.515 19.378 ( -12.499 7.097 1.070) 14.413 19.401 ( -11.443 5.526 -1.085) 12.754 19.509 ( -12.435 -2.978 0.799) 12.812 19.534 ( -12.430 -4.600 -1.822) 13.378 20.727 ( 14.778 7.054 1.181) 16.418 20.750 ( 14.311 5.043 -0.944) 15.203 21.017 ( 6.599 1.491 6.397) 9.310 21.090 ( 6.250 -7.718 2.457) 10.230 21.171 ( 1.832 3.681 -4.027) 5.755 21.211 ( 1.492 -2.232 -4.777) 5.480 21.469 ( -4.028 -2.360 1.295) 4.844 21.482 ( -4.249 -3.817 0.049) 5.712 21.704 ( 5.006 1.438 -0.129) 5.210 21.711 ( 5.583 0.913 -0.918) 5.731 21.794 ( 2.461 0.085 0.360) 2.489 21.806 ( 2.662 -0.955 -0.631) 2.897 44.315 ( 0.824 1.948 0.804) 2.263 44.336 ( 0.514 0.263 -1.241) 1.368 44.395 ( -0.713 -1.942 1.042) 2.316 44.411 ( -0.876 -3.293 -0.517) 3.446 45.132 ( 2.219 2.630 0.932) 3.565 45.154 ( 2.109 1.131 -1.250) 2.700 45.285 ( -0.318 -1.563 1.274) 2.042 45.310 ( -0.625 -3.378 -1.239) 3.652 46.217 ( 7.045 4.479 1.118) 8.423 46.240 ( 7.538 2.179 -1.143) 7.930 46.695 ( -7.465 4.364 1.924) 8.859 46.731 ( -7.393 0.661 -1.636) 7.601 47.169 ( 0.811 0.374 0.251) 0.928 47.175 ( 0.729 0.106 -0.308) 0.798 47.204 ( 1.253 -2.754 0.008) 3.026 47.205 ( 1.303 -2.595 -0.136) 2.907 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.43 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 1.64e-04 5.98e-04 5.98e-04 5.98e-04 5.98e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 1.396 9.134 2.239) 9.507 2.015 ( -0.677 7.301 0.390) 7.343 2.122 ( 2.018 -1.059 2.345) 3.270 2.148 ( -1.023 -5.854 0.160) 5.944 2.258 ( 2.312 3.784 -0.028) 4.435 2.282 ( 3.138 5.076 -2.500) 6.470 2.324 ( -1.951 4.298 0.718) 4.775 2.366 ( -3.181 1.200 -3.038) 4.560 2.554 ( 4.292 -4.320 -0.620) 6.121 2.572 ( 3.629 -5.347 -2.300) 6.859 2.639 ( -3.188 -3.243 -0.531) 4.578 2.651 ( -3.384 -3.855 -1.800) 5.436 2.750 ( -0.864 7.163 0.527) 7.234 2.757 ( -1.656 6.777 -0.185) 6.978 2.864 ( -0.103 -0.234 -0.388) 0.464 2.881 ( -1.629 -0.998 -1.650) 2.525 3.050 ( 4.211 -2.274 0.302) 4.796 3.057 ( 4.099 -2.031 -0.271) 4.583 3.160 ( -2.709 -2.346 0.665) 3.644 3.176 ( -3.481 -3.421 -0.781) 4.943 3.519 ( 9.348 4.948 2.802) 10.942 3.569 ( 7.378 -0.437 -1.597) 7.562 3.637 ( 3.426 3.204 2.666) 5.395 3.664 ( -4.558 1.775 0.357) 4.904 3.742 ( 0.281 -2.609 -0.442) 2.661 3.747 ( 6.903 -2.039 -0.478) 7.214 3.820 ( -4.685 0.535 3.469) 5.854 3.858 ( -3.525 -4.341 0.520) 5.616 4.015 ( -0.887 2.978 -0.888) 3.232 4.029 ( 0.519 0.625 -2.047) 2.202 4.058 ( -3.542 -2.016 0.818) 4.157 4.082 ( -3.292 -2.967 -0.880) 4.518 4.500 ( 4.225 1.190 0.877) 4.476 4.511 ( 4.600 0.024 -0.147) 4.602 4.592 ( -5.256 1.102 1.334) 5.533 4.607 ( -5.342 -0.378 -0.027) 5.355 9.393 ( 11.896 9.019 1.925) 15.052 9.455 ( 10.452 5.084 -3.784) 12.223 9.622 ( -3.774 2.365 2.477) 5.096 9.697 ( -6.500 -2.862 -4.508) 8.412 10.530 ( 4.786 6.412 1.623) 8.164 10.563 ( 3.597 5.240 -1.536) 6.539 10.726 ( -2.909 -1.183 3.066) 4.389 10.779 ( -6.292 -4.339 -1.938) 7.885 11.117 ( 3.504 5.595 1.571) 6.786 11.142 ( 2.272 5.313 -0.937) 5.854 11.286 ( -5.076 -1.422 2.127) 5.684 11.324 ( -7.582 -3.356 -1.718) 8.468 18.453 ( 10.952 2.648 2.259) 11.492 18.499 ( 10.164 -1.584 -2.164) 10.512 18.673 ( -10.550 0.930 2.756) 10.943 18.711 ( -10.616 -2.340 -0.873) 10.906 19.214 ( -4.281 8.377 0.270) 9.411 19.232 ( -5.870 7.541 -1.415) 9.660 19.348 ( -4.280 -4.632 0.134) 6.308 19.360 ( -5.507 -4.845 -1.170) 7.428 20.929 ( 6.040 10.367 1.103) 12.049 20.937 ( 5.088 9.595 0.417) 10.869 21.122 ( 4.513 -0.915 2.211) 5.109 21.164 ( 0.652 -6.508 -1.481) 6.706 21.209 ( 3.112 2.238 0.521) 3.868 21.232 ( 1.165 -1.759 -1.491) 2.583 21.384 ( -4.100 -5.556 0.830) 6.955 21.391 ( -4.566 -6.413 0.078) 7.873 21.785 ( 2.979 2.110 0.369) 3.669 21.794 ( 2.370 1.850 -0.280) 3.020 21.833 ( 1.466 -1.155 -0.444) 1.918 21.842 ( 0.807 -1.534 -1.087) 2.046 44.331 ( 0.878 1.893 0.698) 2.200 44.342 ( -0.093 1.493 -0.201) 1.509 44.385 ( -0.066 -2.994 0.359) 3.016 44.394 ( -0.847 -3.264 -0.363) 3.391 45.171 ( 1.704 4.185 0.238) 4.525 45.183 ( 0.628 4.011 -0.967) 4.174 45.281 ( 0.124 -4.678 0.509) 4.708 45.293 ( -1.048 -4.922 -0.775) 5.092 46.363 ( 8.096 5.708 1.439) 10.010 46.391 ( 7.816 3.352 -1.398) 8.619 46.547 ( -7.586 2.507 1.900) 8.212 46.580 ( -8.375 -0.354 -1.398) 8.499 47.181 ( 0.472 0.993 0.047) 1.101 47.184 ( 0.191 0.907 -0.192) 0.947 47.223 ( 0.640 -3.077 0.047) 3.143 47.224 ( 0.544 -3.002 -0.045) 3.051 =================== 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 3/26460 10.0 381.525 342.186 277.623 0.000 0.000 -0.000 3/26460 20.0 59.282 66.106 52.629 0.000 0.000 -0.000 3/26460 30.0 20.734 24.946 18.758 0.000 0.000 -0.000 3/26460 40.0 11.463 14.461 10.513 0.000 0.000 -0.000 3/26460 50.0 7.936 10.252 7.331 0.000 0.000 -0.000 3/26460 60.0 6.154 8.033 5.702 0.000 0.000 -0.000 3/26460 70.0 5.074 6.649 4.706 0.000 0.000 -0.000 3/26460 80.0 4.339 5.690 4.024 0.000 0.000 -0.000 3/26460 90.0 3.799 4.979 3.523 0.000 0.000 -0.000 3/26460 100.0 3.383 4.426 3.135 0.000 0.000 -0.000 3/26460 110.0 3.050 3.983 2.825 0.000 0.000 -0.000 3/26460 120.0 2.777 3.619 2.571 0.000 0.000 -0.000 3/26460 130.0 2.549 3.314 2.358 0.000 0.000 -0.000 3/26460 140.0 2.356 3.056 2.178 0.000 0.000 -0.000 3/26460 150.0 2.190 2.834 2.023 0.000 0.000 -0.000 3/26460 160.0 2.046 2.641 1.888 0.000 0.000 -0.000 3/26460 170.0 1.919 2.473 1.770 0.000 0.000 -0.000 3/26460 180.0 1.808 2.325 1.666 0.000 0.000 -0.000 3/26460 190.0 1.709 2.193 1.573 0.000 0.000 -0.000 3/26460 200.0 1.621 2.075 1.490 0.000 0.000 -0.000 3/26460 210.0 1.541 1.969 1.416 0.000 0.000 -0.000 3/26460 220.0 1.469 1.873 1.348 0.000 0.000 -0.000 3/26460 230.0 1.404 1.787 1.287 0.000 0.000 -0.000 3/26460 240.0 1.344 1.708 1.231 0.000 0.000 -0.000 3/26460 250.0 1.289 1.635 1.179 0.000 0.000 -0.000 3/26460 260.0 1.239 1.569 1.132 0.000 0.000 -0.000 3/26460 270.0 1.192 1.508 1.089 0.000 0.000 -0.000 3/26460 280.0 1.149 1.451 1.048 0.000 0.000 -0.000 3/26460 290.0 1.109 1.398 1.011 0.000 0.000 -0.000 3/26460 300.0 1.072 1.350 0.976 0.000 0.000 -0.000 3/26460 310.0 1.037 1.304 0.943 0.000 0.000 -0.000 3/26460 320.0 1.004 1.261 0.913 0.000 0.000 -0.000 3/26460 330.0 0.973 1.222 0.884 0.000 0.000 -0.000 3/26460 340.0 0.945 1.184 0.858 0.000 0.000 -0.000 3/26460 350.0 0.917 1.149 0.832 0.000 0.000 -0.000 3/26460 360.0 0.892 1.116 0.809 0.000 0.000 -0.000 3/26460 370.0 0.868 1.085 0.786 0.000 0.000 -0.000 3/26460 380.0 0.845 1.055 0.765 0.000 0.000 -0.000 3/26460 390.0 0.823 1.027 0.745 0.000 0.000 -0.000 3/26460 400.0 0.802 1.001 0.726 0.000 0.000 -0.000 3/26460 410.0 0.783 0.975 0.708 0.000 0.000 -0.000 3/26460 420.0 0.764 0.951 0.690 0.000 0.000 -0.000 3/26460 430.0 0.746 0.929 0.674 0.000 0.000 -0.000 3/26460 440.0 0.729 0.907 0.658 0.000 0.000 -0.000 3/26460 450.0 0.713 0.886 0.643 0.000 0.000 -0.000 3/26460 460.0 0.697 0.866 0.629 0.000 0.000 -0.000 3/26460 470.0 0.682 0.848 0.615 0.000 0.000 -0.000 3/26460 480.0 0.668 0.829 0.602 0.000 0.000 -0.000 3/26460 490.0 0.655 0.812 0.590 0.000 0.000 -0.000 3/26460 500.0 0.641 0.795 0.578 0.000 0.000 -0.000 3/26460 510.0 0.629 0.779 0.566 0.000 0.000 -0.000 3/26460 520.0 0.617 0.764 0.555 0.000 0.000 -0.000 3/26460 530.0 0.605 0.749 0.544 0.000 0.000 -0.000 3/26460 540.0 0.594 0.735 0.534 0.000 0.000 -0.000 3/26460 550.0 0.583 0.722 0.524 0.000 0.000 -0.000 3/26460 560.0 0.573 0.708 0.515 0.000 0.000 -0.000 3/26460 570.0 0.563 0.696 0.505 0.000 0.000 -0.000 3/26460 580.0 0.553 0.683 0.497 0.000 0.000 -0.000 3/26460 590.0 0.543 0.672 0.488 0.000 0.000 -0.000 3/26460 600.0 0.534 0.660 0.480 0.000 0.000 -0.000 3/26460 610.0 0.526 0.649 0.472 0.000 0.000 -0.000 3/26460 620.0 0.517 0.639 0.464 0.000 0.000 -0.000 3/26460 630.0 0.509 0.628 0.457 0.000 0.000 -0.000 3/26460 640.0 0.501 0.618 0.449 0.000 0.000 -0.000 3/26460 650.0 0.493 0.609 0.442 0.000 0.000 -0.000 3/26460 660.0 0.486 0.599 0.435 0.000 0.000 -0.000 3/26460 670.0 0.478 0.590 0.429 0.000 0.000 -0.000 3/26460 680.0 0.471 0.581 0.422 0.000 0.000 -0.000 3/26460 690.0 0.465 0.573 0.416 0.000 0.000 -0.000 3/26460 700.0 0.458 0.564 0.410 0.000 0.000 -0.000 3/26460 710.0 0.451 0.556 0.404 0.000 0.000 -0.000 3/26460 720.0 0.445 0.549 0.399 0.000 0.000 -0.000 3/26460 730.0 0.439 0.541 0.393 0.000 0.000 -0.000 3/26460 740.0 0.433 0.534 0.388 0.000 0.000 -0.000 3/26460 750.0 0.427 0.526 0.383 0.000 0.000 -0.000 3/26460 760.0 0.422 0.519 0.377 0.000 0.000 -0.000 3/26460 770.0 0.416 0.512 0.372 0.000 0.000 -0.000 3/26460 780.0 0.411 0.506 0.368 0.000 0.000 -0.000 3/26460 790.0 0.406 0.499 0.363 0.000 0.000 -0.000 3/26460 800.0 0.401 0.493 0.358 0.000 0.000 -0.000 3/26460 810.0 0.396 0.487 0.354 0.000 0.000 -0.000 3/26460 820.0 0.391 0.481 0.349 0.000 0.000 -0.000 3/26460 830.0 0.386 0.475 0.345 0.000 0.000 -0.000 3/26460 840.0 0.381 0.469 0.341 0.000 0.000 -0.000 3/26460 850.0 0.377 0.464 0.337 0.000 0.000 -0.000 3/26460 860.0 0.373 0.458 0.333 0.000 0.000 -0.000 3/26460 870.0 0.368 0.453 0.329 0.000 0.000 -0.000 3/26460 880.0 0.364 0.448 0.325 0.000 0.000 -0.000 3/26460 890.0 0.360 0.443 0.322 0.000 0.000 -0.000 3/26460 900.0 0.356 0.438 0.318 0.000 0.000 -0.000 3/26460 910.0 0.352 0.433 0.315 0.000 0.000 -0.000 3/26460 920.0 0.348 0.428 0.311 0.000 0.000 -0.000 3/26460 930.0 0.345 0.424 0.308 0.000 0.000 -0.000 3/26460 940.0 0.341 0.419 0.304 0.000 0.000 -0.000 3/26460 950.0 0.337 0.415 0.301 0.000 0.000 -0.000 3/26460 960.0 0.334 0.410 0.298 0.000 0.000 -0.000 3/26460 970.0 0.330 0.406 0.295 0.000 0.000 -0.000 3/26460 980.0 0.327 0.402 0.292 0.000 0.000 -0.000 3/26460 990.0 0.324 0.398 0.289 0.000 0.000 -0.000 3/26460 1000.0 0.320 0.394 0.286 0.000 0.000 -0.000 3/26460 Thermal conductivity related properties were written into "kappa-m795.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 21:50:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|