----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:47:18]------------------------- 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: [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.864376650548808 0.000000000000000 0.000000000000000 b 0.000000000000000 9.998290900000001 0.000000000000000 c -0.070083357011264 0.000000000000000 6.826703828016425 Atomic positions (fractional): *1 O 0.86999760175628 0.59836894264104 0.34184033919647 15.999 2 O 0.13000239824372 0.09836894264104 0.15815966080353 15.999 3 O 0.13000239824372 0.40163105735896 0.65815966080352 15.999 4 O 0.86999760175628 0.90163105735896 0.84184033919648 15.999 *5 O 0.27784058850383 0.71215667059733 0.15040958662557 15.999 6 O 0.72215941149617 0.21215667059733 0.34959041337443 15.999 7 O 0.72215941149617 0.28784332940267 0.84959041337443 15.999 8 O 0.27784058850383 0.78784332940267 0.65040958662557 15.999 *9 O 0.24781189163297 0.44344509841348 0.17083077787266 15.999 10 O 0.24781189163297 0.05655490158652 0.67083077787266 15.999 11 O 0.75218810836703 0.55655490158652 0.82916922212734 15.999 12 O 0.75218810836703 0.94344509841348 0.32916922212734 15.999 *13 Na 0.74003796006636 0.41387999440270 0.14626750361344 22.990 *14 Na 0.24377978307009 0.24543444628524 0.90465929479077 22.990 15 Na 0.24377978307009 0.25456555371476 0.40465929479077 22.990 16 Na 0.75622021692991 0.75456555371476 0.09534070520923 22.990 17 Na 0.25996203993364 0.58612000559730 0.85373249638656 22.990 18 Na 0.74003796006636 0.08612000559730 0.64626750361344 22.990 19 Na 0.25996203993364 0.91387999440270 0.35373249638656 22.990 20 Na 0.75622021692991 0.74543444628524 0.59534070520923 22.990 *21 Se 0.22076312830363 0.91558012861867 0.81710990937345 78.960 22 Se 0.77923687169636 0.41558012861867 0.68289009062655 78.960 23 Se 0.77923687169636 0.08441987138133 0.18289009062655 78.960 24 Se 0.22076312830363 0.58441987138133 0.31710990937345 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.864376650548808 0.000000000000000 0.000000000000000 b 0.000000000000000 9.998290900000001 0.000000000000000 c -0.070083357011264 0.000000000000000 6.826703828016425 Atomic positions (fractional): *1 O 0.86999760175628 0.59836894264104 0.34184033919647 15.999 > 1 2 O 0.13000239824372 0.09836894264104 0.15815966080353 15.999 > 2 3 O 0.13000239824372 0.40163105735896 0.65815966080352 15.999 > 3 4 O 0.86999760175628 0.90163105735896 0.84184033919648 15.999 > 4 *5 O 0.27784058850383 0.71215667059733 0.15040958662557 15.999 > 5 6 O 0.72215941149617 0.21215667059733 0.34959041337443 15.999 > 6 7 O 0.72215941149617 0.28784332940267 0.84959041337443 15.999 > 7 8 O 0.27784058850383 0.78784332940267 0.65040958662557 15.999 > 8 *9 O 0.24781189163297 0.44344509841348 0.17083077787266 15.999 > 9 10 O 0.24781189163297 0.05655490158652 0.67083077787266 15.999 > 10 11 O 0.75218810836703 0.55655490158652 0.82916922212734 15.999 > 11 12 O 0.75218810836703 0.94344509841348 0.32916922212734 15.999 > 12 *13 Na 0.74003796006636 0.41387999440270 0.14626750361344 22.990 > 13 *14 Na 0.24377978307009 0.24543444628524 0.90465929479077 22.990 > 14 15 Na 0.24377978307009 0.25456555371476 0.40465929479077 22.990 > 15 16 Na 0.75622021692991 0.75456555371476 0.09534070520923 22.990 > 16 17 Na 0.25996203993364 0.58612000559730 0.85373249638656 22.990 > 17 18 Na 0.74003796006636 0.08612000559730 0.64626750361344 22.990 > 18 19 Na 0.25996203993364 0.91387999440270 0.35373249638656 22.990 > 19 20 Na 0.75622021692991 0.74543444628524 0.59534070520923 22.990 > 20 *21 Se 0.22076312830364 0.91558012861867 0.81710990937345 78.960 > 21 22 Se 0.77923687169637 0.41558012861867 0.68289009062655 78.960 > 22 23 Se 0.77923687169637 0.08441987138133 0.18289009062655 78.960 > 23 24 Se 0.22076312830364 0.58441987138133 0.31710990937345 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.593129951646423 0.000000000000000 0.000000000000000 b 0.000000000000000 9.998290900000001 0.000000000000000 c -0.140166714022528 0.000000000000000 13.653407656032851 Atomic positions (fractional): *1 O 0.28999920058543 0.59836894264104 0.17092016959824 15.999 > 1 2 O 0.62333253391876 0.59836894264104 0.17092016959824 15.999 > 1 3 O 0.95666586725209 0.59836894264104 0.17092016959824 15.999 > 1 4 O 0.28999920058543 0.59836894264104 0.67092016959824 15.999 > 1 5 O 0.62333253391876 0.59836894264104 0.67092016959824 15.999 > 1 6 O 0.95666586725209 0.59836894264104 0.67092016959824 15.999 > 1 7 O 0.04333413274791 0.09836894264104 0.07907983040176 15.999 > 2 8 O 0.37666746608124 0.09836894264104 0.07907983040176 15.999 > 2 9 O 0.71000079941457 0.09836894264104 0.07907983040176 15.999 > 2 10 O 0.04333413274791 0.09836894264104 0.57907983040176 15.999 > 2 11 O 0.37666746608124 0.09836894264104 0.57907983040176 15.999 > 2 12 O 0.71000079941457 0.09836894264104 0.57907983040176 15.999 > 2 13 O 0.04333413274791 0.40163105735896 0.32907983040176 15.999 > 3 14 O 0.37666746608124 0.40163105735896 0.32907983040176 15.999 > 3 15 O 0.71000079941457 0.40163105735896 0.32907983040176 15.999 > 3 16 O 0.04333413274791 0.40163105735896 0.82907983040176 15.999 > 3 17 O 0.37666746608124 0.40163105735896 0.82907983040176 15.999 > 3 18 O 0.71000079941457 0.40163105735896 0.82907983040176 15.999 > 3 19 O 0.28999920058543 0.90163105735896 0.42092016959824 15.999 > 4 20 O 0.62333253391876 0.90163105735896 0.42092016959824 15.999 > 4 21 O 0.95666586725209 0.90163105735896 0.42092016959824 15.999 > 4 22 O 0.28999920058543 0.90163105735896 0.92092016959824 15.999 > 4 23 O 0.62333253391876 0.90163105735896 0.92092016959824 15.999 > 4 24 O 0.95666586725209 0.90163105735896 0.92092016959824 15.999 > 4 *25 O 0.09261352950128 0.71215667059733 0.07520479331278 15.999 > 5 26 O 0.42594686283461 0.71215667059733 0.07520479331278 15.999 > 5 27 O 0.75928019616794 0.71215667059733 0.07520479331278 15.999 > 5 28 O 0.09261352950128 0.71215667059733 0.57520479331278 15.999 > 5 29 O 0.42594686283461 0.71215667059733 0.57520479331278 15.999 > 5 30 O 0.75928019616794 0.71215667059733 0.57520479331278 15.999 > 5 31 O 0.24071980383206 0.21215667059733 0.17479520668722 15.999 > 6 32 O 0.57405313716539 0.21215667059733 0.17479520668722 15.999 > 6 33 O 0.90738647049872 0.21215667059733 0.17479520668722 15.999 > 6 34 O 0.24071980383206 0.21215667059733 0.67479520668722 15.999 > 6 35 O 0.57405313716539 0.21215667059733 0.67479520668722 15.999 > 6 36 O 0.90738647049872 0.21215667059733 0.67479520668722 15.999 > 6 37 O 0.24071980383206 0.28784332940267 0.42479520668722 15.999 > 7 38 O 0.57405313716539 0.28784332940267 0.42479520668722 15.999 > 7 39 O 0.90738647049872 0.28784332940267 0.42479520668722 15.999 > 7 40 O 0.24071980383206 0.28784332940267 0.92479520668722 15.999 > 7 41 O 0.57405313716539 0.28784332940267 0.92479520668722 15.999 > 7 42 O 0.90738647049872 0.28784332940267 0.92479520668722 15.999 > 7 43 O 0.09261352950128 0.78784332940267 0.32520479331278 15.999 > 8 44 O 0.42594686283461 0.78784332940267 0.32520479331278 15.999 > 8 45 O 0.75928019616794 0.78784332940267 0.32520479331278 15.999 > 8 46 O 0.09261352950128 0.78784332940267 0.82520479331278 15.999 > 8 47 O 0.42594686283461 0.78784332940267 0.82520479331278 15.999 > 8 48 O 0.75928019616794 0.78784332940267 0.82520479331278 15.999 > 8 *49 O 0.08260396387766 0.44344509841348 0.08541538893633 15.999 > 9 50 O 0.41593729721099 0.44344509841348 0.08541538893633 15.999 > 9 51 O 0.74927063054432 0.44344509841348 0.08541538893633 15.999 > 9 52 O 0.08260396387766 0.44344509841348 0.58541538893633 15.999 > 9 53 O 0.41593729721099 0.44344509841348 0.58541538893633 15.999 > 9 54 O 0.74927063054432 0.44344509841348 0.58541538893633 15.999 > 9 55 O 0.08260396387766 0.05655490158652 0.33541538893633 15.999 > 10 56 O 0.41593729721099 0.05655490158652 0.33541538893633 15.999 > 10 57 O 0.74927063054432 0.05655490158652 0.33541538893633 15.999 > 10 58 O 0.08260396387766 0.05655490158652 0.83541538893633 15.999 > 10 59 O 0.41593729721099 0.05655490158652 0.83541538893633 15.999 > 10 60 O 0.74927063054432 0.05655490158652 0.83541538893633 15.999 > 10 61 O 0.25072936945568 0.55655490158652 0.41458461106367 15.999 > 11 62 O 0.58406270278901 0.55655490158652 0.41458461106367 15.999 > 11 63 O 0.91739603612234 0.55655490158652 0.41458461106367 15.999 > 11 64 O 0.25072936945568 0.55655490158652 0.91458461106367 15.999 > 11 65 O 0.58406270278901 0.55655490158652 0.91458461106367 15.999 > 11 66 O 0.91739603612234 0.55655490158652 0.91458461106367 15.999 > 11 67 O 0.25072936945568 0.94344509841348 0.16458461106367 15.999 > 12 68 O 0.58406270278901 0.94344509841348 0.16458461106367 15.999 > 12 69 O 0.91739603612234 0.94344509841348 0.16458461106367 15.999 > 12 70 O 0.25072936945568 0.94344509841348 0.66458461106367 15.999 > 12 71 O 0.58406270278901 0.94344509841348 0.66458461106367 15.999 > 12 72 O 0.91739603612234 0.94344509841348 0.66458461106367 15.999 > 12 *73 Na 0.24667932002212 0.41387999440270 0.07313375180672 22.990 > 13 74 Na 0.58001265335545 0.41387999440270 0.07313375180672 22.990 > 13 75 Na 0.91334598668879 0.41387999440270 0.07313375180672 22.990 > 13 76 Na 0.24667932002212 0.41387999440270 0.57313375180672 22.990 > 13 77 Na 0.58001265335545 0.41387999440270 0.57313375180672 22.990 > 13 78 Na 0.91334598668879 0.41387999440270 0.57313375180672 22.990 > 13 *79 Na 0.08125992769003 0.24543444628524 0.45232964739539 22.990 > 14 80 Na 0.41459326102336 0.24543444628524 0.45232964739539 22.990 > 14 81 Na 0.74792659435670 0.24543444628524 0.45232964739539 22.990 > 14 82 Na 0.08125992769003 0.24543444628524 0.95232964739539 22.990 > 14 83 Na 0.41459326102336 0.24543444628524 0.95232964739539 22.990 > 14 84 Na 0.74792659435670 0.24543444628524 0.95232964739539 22.990 > 14 85 Na 0.08125992769003 0.25456555371476 0.20232964739539 22.990 > 15 86 Na 0.41459326102336 0.25456555371476 0.20232964739539 22.990 > 15 87 Na 0.74792659435670 0.25456555371476 0.20232964739539 22.990 > 15 88 Na 0.08125992769003 0.25456555371476 0.70232964739539 22.990 > 15 89 Na 0.41459326102336 0.25456555371476 0.70232964739539 22.990 > 15 90 Na 0.74792659435670 0.25456555371476 0.70232964739539 22.990 > 15 91 Na 0.25207340564330 0.75456555371476 0.04767035260461 22.990 > 16 92 Na 0.58540673897664 0.75456555371476 0.04767035260461 22.990 > 16 93 Na 0.91874007230997 0.75456555371476 0.04767035260461 22.990 > 16 94 Na 0.25207340564330 0.75456555371476 0.54767035260461 22.990 > 16 95 Na 0.58540673897664 0.75456555371476 0.54767035260461 22.990 > 16 96 Na 0.91874007230997 0.75456555371476 0.54767035260461 22.990 > 16 97 Na 0.08665401331121 0.58612000559730 0.42686624819328 22.990 > 17 98 Na 0.41998734664455 0.58612000559730 0.42686624819328 22.990 > 17 99 Na 0.75332067997788 0.58612000559730 0.42686624819328 22.990 > 17 100 Na 0.08665401331121 0.58612000559730 0.92686624819328 22.990 > 17 101 Na 0.41998734664455 0.58612000559730 0.92686624819328 22.990 > 17 102 Na 0.75332067997788 0.58612000559730 0.92686624819328 22.990 > 17 103 Na 0.24667932002212 0.08612000559730 0.32313375180672 22.990 > 18 104 Na 0.58001265335545 0.08612000559730 0.32313375180672 22.990 > 18 105 Na 0.91334598668879 0.08612000559730 0.32313375180672 22.990 > 18 106 Na 0.24667932002212 0.08612000559730 0.82313375180672 22.990 > 18 107 Na 0.58001265335545 0.08612000559730 0.82313375180672 22.990 > 18 108 Na 0.91334598668879 0.08612000559730 0.82313375180672 22.990 > 18 109 Na 0.08665401331121 0.91387999440270 0.17686624819328 22.990 > 19 110 Na 0.41998734664455 0.91387999440270 0.17686624819328 22.990 > 19 111 Na 0.75332067997788 0.91387999440270 0.17686624819328 22.990 > 19 112 Na 0.08665401331121 0.91387999440270 0.67686624819328 22.990 > 19 113 Na 0.41998734664455 0.91387999440270 0.67686624819328 22.990 > 19 114 Na 0.75332067997788 0.91387999440270 0.67686624819328 22.990 > 19 115 Na 0.25207340564330 0.74543444628524 0.29767035260461 22.990 > 20 116 Na 0.58540673897664 0.74543444628524 0.29767035260461 22.990 > 20 117 Na 0.91874007230997 0.74543444628524 0.29767035260461 22.990 > 20 118 Na 0.25207340564330 0.74543444628524 0.79767035260461 22.990 > 20 119 Na 0.58540673897664 0.74543444628524 0.79767035260461 22.990 > 20 120 Na 0.91874007230997 0.74543444628524 0.79767035260461 22.990 > 20 *121 Se 0.07358770943454 0.91558012861867 0.40855495468673 78.960 > 21 122 Se 0.40692104276788 0.91558012861867 0.40855495468673 78.960 > 21 123 Se 0.74025437610121 0.91558012861867 0.40855495468673 78.960 > 21 124 Se 0.07358770943454 0.91558012861867 0.90855495468673 78.960 > 21 125 Se 0.40692104276788 0.91558012861867 0.90855495468673 78.960 > 21 126 Se 0.74025437610121 0.91558012861867 0.90855495468673 78.960 > 21 127 Se 0.25974562389879 0.41558012861867 0.34144504531327 78.960 > 22 128 Se 0.59307895723212 0.41558012861867 0.34144504531327 78.960 > 22 129 Se 0.92641229056545 0.41558012861867 0.34144504531327 78.960 > 22 130 Se 0.25974562389879 0.41558012861867 0.84144504531327 78.960 > 22 131 Se 0.59307895723212 0.41558012861867 0.84144504531327 78.960 > 22 132 Se 0.92641229056545 0.41558012861867 0.84144504531327 78.960 > 22 133 Se 0.25974562389879 0.08441987138133 0.09144504531327 78.960 > 23 134 Se 0.59307895723212 0.08441987138133 0.09144504531327 78.960 > 23 135 Se 0.92641229056545 0.08441987138133 0.09144504531327 78.960 > 23 136 Se 0.25974562389879 0.08441987138133 0.59144504531327 78.960 > 23 137 Se 0.59307895723212 0.08441987138133 0.59144504531327 78.960 > 23 138 Se 0.92641229056545 0.08441987138133 0.59144504531327 78.960 > 23 139 Se 0.07358770943454 0.58441987138133 0.15855495468673 78.960 > 24 140 Se 0.40692104276788 0.58441987138133 0.15855495468673 78.960 > 24 141 Se 0.74025437610121 0.58441987138133 0.15855495468673 78.960 > 24 142 Se 0.07358770943454 0.58441987138133 0.65855495468673 78.960 > 24 143 Se 0.40692104276788 0.58441987138133 0.65855495468673 78.960 > 24 144 Se 0.74025437610121 0.58441987138133 0.65855495468673 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9440546 0.0000000 -0.2011688 0.0000000 3.0519363 0.0000000 -0.2011721 0.0000000 2.9042281 -------------------------- Born effective charges -------------------------- 1 O -2.3139238 0.0759009 0.0348955 -0.0326938 -1.0668004 0.0747912 0.6284441 0.0905443 -1.1706581 2 O -2.3139238 -0.0759009 0.0348955 0.0326938 -1.0668004 -0.0747912 0.6284441 -0.0905443 -1.1706581 3 O -2.3139238 0.0759009 0.0348955 -0.0326938 -1.0668004 0.0747912 0.6284441 0.0905443 -1.1706581 4 O -2.3139238 -0.0759009 0.0348955 0.0326938 -1.0668004 -0.0747912 0.6284441 -0.0905443 -1.1706581 5 O -1.0743582 -0.3834714 0.4018192 -0.1530534 -1.9377314 0.8432188 0.1060583 0.6322238 -1.6725322 6 O -1.0743582 0.3834714 0.4018192 0.1530534 -1.9377314 -0.8432188 0.1060583 -0.6322238 -1.6725322 7 O -1.0743582 -0.3834714 0.4018192 -0.1530534 -1.9377314 0.8432188 0.1060583 0.6322238 -1.6725322 8 O -1.0743582 0.3834714 0.4018192 0.1530534 -1.9377314 -0.8432188 0.1060583 -0.6322238 -1.6725322 9 O -1.0225329 0.2977883 0.2526783 0.0070804 -1.9805270 -0.8185380 0.0015152 -0.4548968 -1.4262431 10 O -1.0225329 -0.2977883 0.2526783 -0.0070804 -1.9805270 0.8185380 0.0015152 0.4548968 -1.4262431 11 O -1.0225329 0.2977883 0.2526783 0.0070804 -1.9805270 -0.8185380 0.0015152 -0.4548968 -1.4262431 12 O -1.0225329 -0.2977883 0.2526783 -0.0070804 -1.9805270 0.8185380 0.0015152 0.4548968 -1.4262431 13 Na 1.0333381 0.0275848 0.0244091 0.0014945 0.9786209 -0.0380735 0.0061656 0.0240059 1.1063655 14 Na 1.1118325 -0.0083247 0.0077034 -0.0014697 1.2472510 0.0716510 0.0050726 -0.0242599 1.0330023 15 Na 1.1118325 0.0083247 0.0077034 0.0014697 1.2472510 -0.0716510 0.0050726 0.0242599 1.0330023 16 Na 1.1118325 -0.0083247 0.0077034 -0.0014697 1.2472510 0.0716510 0.0050726 -0.0242599 1.0330023 17 Na 1.0333381 0.0275848 0.0244091 0.0014945 0.9786209 -0.0380735 0.0061656 0.0240059 1.1063655 18 Na 1.0333381 -0.0275848 0.0244091 -0.0014945 0.9786209 0.0380735 0.0061656 -0.0240059 1.1063655 19 Na 1.0333381 -0.0275848 0.0244091 -0.0014945 0.9786209 0.0380735 0.0061656 -0.0240059 1.1063655 20 Na 1.1118325 0.0083247 0.0077034 0.0014697 1.2472510 -0.0716510 0.0050726 0.0242599 1.0330023 21 Se 2.2656443 -0.0566011 -0.7215055 -0.1937146 2.7591869 -0.0238281 -0.7472558 0.0978972 2.1300656 22 Se 2.2656443 0.0566011 -0.7215055 0.1937146 2.7591869 0.0238281 -0.7472558 -0.0978972 2.1300656 23 Se 2.2656443 -0.0566011 -0.7215055 -0.1937146 2.7591869 -0.0238281 -0.7472558 0.0978972 2.1300656 24 Se 2.2656443 0.0566011 -0.7215055 0.1937146 2.7591869 0.0238281 -0.7472558 -0.0978972 2.1300656 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 720 - Time: 1.365 Solver_block: 200 / 720 - Time: 1.181 Solver_block: 300 / 720 - Time: 1.256 Solver_block: 400 / 720 - Time: 1.181 Solver_block: 500 / 720 - Time: 1.340 Solver_block: 600 / 720 - Time: 1.191 Solver_block: 700 / 720 - Time: 1.207 Solver_block: 720 / 720 - Time: 0.352 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.458 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 354 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 10), data: (864, 22) @ (22, 10) |-- (364, 354), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:48:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:48:15]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.864376650548808 0.000000000000000 0.000000000000000 b 0.000000000000000 9.998290900000001 0.000000000000000 c -0.070083357011264 0.000000000000000 6.826703828016425 Atomic positions (fractional): 1 O 0.86999760175628 0.59836894264104 0.34184033919647 15.999 2 O 0.13000239824372 0.09836894264104 0.15815966080353 15.999 3 O 0.13000239824372 0.40163105735896 0.65815966080352 15.999 4 O 0.86999760175628 0.90163105735896 0.84184033919648 15.999 5 O 0.27784058850383 0.71215667059733 0.15040958662557 15.999 6 O 0.72215941149617 0.21215667059733 0.34959041337443 15.999 7 O 0.72215941149617 0.28784332940267 0.84959041337443 15.999 8 O 0.27784058850383 0.78784332940267 0.65040958662557 15.999 9 O 0.24781189163297 0.44344509841348 0.17083077787266 15.999 10 O 0.24781189163297 0.05655490158652 0.67083077787266 15.999 11 O 0.75218810836703 0.55655490158652 0.82916922212734 15.999 12 O 0.75218810836703 0.94344509841348 0.32916922212734 15.999 13 Na 0.74003796006636 0.41387999440270 0.14626750361344 22.990 14 Na 0.24377978307009 0.24543444628524 0.90465929479077 22.990 15 Na 0.24377978307009 0.25456555371476 0.40465929479077 22.990 16 Na 0.75622021692991 0.75456555371476 0.09534070520923 22.990 17 Na 0.25996203993364 0.58612000559730 0.85373249638656 22.990 18 Na 0.74003796006636 0.08612000559730 0.64626750361344 22.990 19 Na 0.25996203993364 0.91387999440270 0.35373249638656 22.990 20 Na 0.75622021692991 0.74543444628524 0.59534070520923 22.990 21 Se 0.22076312830363 0.91558012861867 0.81710990937345 78.960 22 Se 0.77923687169636 0.41558012861867 0.68289009062655 78.960 23 Se 0.77923687169636 0.08441987138133 0.18289009062655 78.960 24 Se 0.22076312830363 0.58441987138133 0.31710990937345 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.593129951646423 0.000000000000000 0.000000000000000 b 0.000000000000000 9.998290900000001 0.000000000000000 c -0.140166714022528 0.000000000000000 13.653407656032851 Atomic positions (fractional): 1 O 0.28999920058543 0.59836894264104 0.17092016959824 15.999 > 1 2 O 0.62333253391876 0.59836894264104 0.17092016959824 15.999 > 1 3 O 0.95666586725209 0.59836894264104 0.17092016959824 15.999 > 1 4 O 0.28999920058543 0.59836894264104 0.67092016959824 15.999 > 1 5 O 0.62333253391876 0.59836894264104 0.67092016959824 15.999 > 1 6 O 0.95666586725209 0.59836894264104 0.67092016959824 15.999 > 1 7 O 0.04333413274791 0.09836894264104 0.07907983040176 15.999 > 7 8 O 0.37666746608124 0.09836894264104 0.07907983040176 15.999 > 7 9 O 0.71000079941457 0.09836894264104 0.07907983040176 15.999 > 7 10 O 0.04333413274791 0.09836894264104 0.57907983040176 15.999 > 7 11 O 0.37666746608124 0.09836894264104 0.57907983040176 15.999 > 7 12 O 0.71000079941457 0.09836894264104 0.57907983040176 15.999 > 7 13 O 0.04333413274791 0.40163105735896 0.32907983040176 15.999 > 13 14 O 0.37666746608124 0.40163105735896 0.32907983040176 15.999 > 13 15 O 0.71000079941457 0.40163105735896 0.32907983040176 15.999 > 13 16 O 0.04333413274791 0.40163105735896 0.82907983040176 15.999 > 13 17 O 0.37666746608124 0.40163105735896 0.82907983040176 15.999 > 13 18 O 0.71000079941457 0.40163105735896 0.82907983040176 15.999 > 13 19 O 0.28999920058543 0.90163105735896 0.42092016959824 15.999 > 19 20 O 0.62333253391876 0.90163105735896 0.42092016959824 15.999 > 19 21 O 0.95666586725209 0.90163105735896 0.42092016959824 15.999 > 19 22 O 0.28999920058543 0.90163105735896 0.92092016959824 15.999 > 19 23 O 0.62333253391876 0.90163105735896 0.92092016959824 15.999 > 19 24 O 0.95666586725209 0.90163105735896 0.92092016959824 15.999 > 19 25 O 0.09261352950128 0.71215667059733 0.07520479331278 15.999 > 25 26 O 0.42594686283461 0.71215667059733 0.07520479331278 15.999 > 25 27 O 0.75928019616794 0.71215667059733 0.07520479331278 15.999 > 25 28 O 0.09261352950128 0.71215667059733 0.57520479331278 15.999 > 25 29 O 0.42594686283461 0.71215667059733 0.57520479331278 15.999 > 25 30 O 0.75928019616794 0.71215667059733 0.57520479331278 15.999 > 25 31 O 0.24071980383206 0.21215667059733 0.17479520668722 15.999 > 31 32 O 0.57405313716539 0.21215667059733 0.17479520668722 15.999 > 31 33 O 0.90738647049872 0.21215667059733 0.17479520668722 15.999 > 31 34 O 0.24071980383206 0.21215667059733 0.67479520668722 15.999 > 31 35 O 0.57405313716539 0.21215667059733 0.67479520668722 15.999 > 31 36 O 0.90738647049872 0.21215667059733 0.67479520668722 15.999 > 31 37 O 0.24071980383206 0.28784332940267 0.42479520668722 15.999 > 37 38 O 0.57405313716539 0.28784332940267 0.42479520668722 15.999 > 37 39 O 0.90738647049872 0.28784332940267 0.42479520668722 15.999 > 37 40 O 0.24071980383206 0.28784332940267 0.92479520668722 15.999 > 37 41 O 0.57405313716539 0.28784332940267 0.92479520668722 15.999 > 37 42 O 0.90738647049872 0.28784332940267 0.92479520668722 15.999 > 37 43 O 0.09261352950128 0.78784332940267 0.32520479331278 15.999 > 43 44 O 0.42594686283461 0.78784332940267 0.32520479331278 15.999 > 43 45 O 0.75928019616794 0.78784332940267 0.32520479331278 15.999 > 43 46 O 0.09261352950128 0.78784332940267 0.82520479331278 15.999 > 43 47 O 0.42594686283461 0.78784332940267 0.82520479331278 15.999 > 43 48 O 0.75928019616794 0.78784332940267 0.82520479331278 15.999 > 43 49 O 0.08260396387766 0.44344509841348 0.08541538893633 15.999 > 49 50 O 0.41593729721099 0.44344509841348 0.08541538893633 15.999 > 49 51 O 0.74927063054432 0.44344509841348 0.08541538893633 15.999 > 49 52 O 0.08260396387766 0.44344509841348 0.58541538893633 15.999 > 49 53 O 0.41593729721099 0.44344509841348 0.58541538893633 15.999 > 49 54 O 0.74927063054432 0.44344509841348 0.58541538893633 15.999 > 49 55 O 0.08260396387766 0.05655490158652 0.33541538893633 15.999 > 55 56 O 0.41593729721099 0.05655490158652 0.33541538893633 15.999 > 55 57 O 0.74927063054432 0.05655490158652 0.33541538893633 15.999 > 55 58 O 0.08260396387766 0.05655490158652 0.83541538893633 15.999 > 55 59 O 0.41593729721099 0.05655490158652 0.83541538893633 15.999 > 55 60 O 0.74927063054432 0.05655490158652 0.83541538893633 15.999 > 55 61 O 0.25072936945568 0.55655490158652 0.41458461106367 15.999 > 61 62 O 0.58406270278901 0.55655490158652 0.41458461106367 15.999 > 61 63 O 0.91739603612234 0.55655490158652 0.41458461106367 15.999 > 61 64 O 0.25072936945568 0.55655490158652 0.91458461106367 15.999 > 61 65 O 0.58406270278901 0.55655490158652 0.91458461106367 15.999 > 61 66 O 0.91739603612234 0.55655490158652 0.91458461106367 15.999 > 61 67 O 0.25072936945568 0.94344509841348 0.16458461106367 15.999 > 67 68 O 0.58406270278901 0.94344509841348 0.16458461106367 15.999 > 67 69 O 0.91739603612234 0.94344509841348 0.16458461106367 15.999 > 67 70 O 0.25072936945568 0.94344509841348 0.66458461106367 15.999 > 67 71 O 0.58406270278901 0.94344509841348 0.66458461106367 15.999 > 67 72 O 0.91739603612234 0.94344509841348 0.66458461106367 15.999 > 67 73 Na 0.24667932002212 0.41387999440270 0.07313375180672 22.990 > 73 74 Na 0.58001265335545 0.41387999440270 0.07313375180672 22.990 > 73 75 Na 0.91334598668879 0.41387999440270 0.07313375180672 22.990 > 73 76 Na 0.24667932002212 0.41387999440270 0.57313375180672 22.990 > 73 77 Na 0.58001265335545 0.41387999440270 0.57313375180672 22.990 > 73 78 Na 0.91334598668879 0.41387999440270 0.57313375180672 22.990 > 73 79 Na 0.08125992769003 0.24543444628524 0.45232964739539 22.990 > 79 80 Na 0.41459326102336 0.24543444628524 0.45232964739539 22.990 > 79 81 Na 0.74792659435670 0.24543444628524 0.45232964739539 22.990 > 79 82 Na 0.08125992769003 0.24543444628524 0.95232964739539 22.990 > 79 83 Na 0.41459326102336 0.24543444628524 0.95232964739539 22.990 > 79 84 Na 0.74792659435670 0.24543444628524 0.95232964739539 22.990 > 79 85 Na 0.08125992769003 0.25456555371476 0.20232964739539 22.990 > 85 86 Na 0.41459326102336 0.25456555371476 0.20232964739539 22.990 > 85 87 Na 0.74792659435670 0.25456555371476 0.20232964739539 22.990 > 85 88 Na 0.08125992769003 0.25456555371476 0.70232964739539 22.990 > 85 89 Na 0.41459326102336 0.25456555371476 0.70232964739539 22.990 > 85 90 Na 0.74792659435670 0.25456555371476 0.70232964739539 22.990 > 85 91 Na 0.25207340564330 0.75456555371476 0.04767035260461 22.990 > 91 92 Na 0.58540673897664 0.75456555371476 0.04767035260461 22.990 > 91 93 Na 0.91874007230997 0.75456555371476 0.04767035260461 22.990 > 91 94 Na 0.25207340564330 0.75456555371476 0.54767035260461 22.990 > 91 95 Na 0.58540673897664 0.75456555371476 0.54767035260461 22.990 > 91 96 Na 0.91874007230997 0.75456555371476 0.54767035260461 22.990 > 91 97 Na 0.08665401331121 0.58612000559730 0.42686624819328 22.990 > 97 98 Na 0.41998734664455 0.58612000559730 0.42686624819328 22.990 > 97 99 Na 0.75332067997788 0.58612000559730 0.42686624819328 22.990 > 97 100 Na 0.08665401331121 0.58612000559730 0.92686624819328 22.990 > 97 101 Na 0.41998734664455 0.58612000559730 0.92686624819328 22.990 > 97 102 Na 0.75332067997788 0.58612000559730 0.92686624819328 22.990 > 97 103 Na 0.24667932002212 0.08612000559730 0.32313375180672 22.990 > 103 104 Na 0.58001265335545 0.08612000559730 0.32313375180672 22.990 > 103 105 Na 0.91334598668879 0.08612000559730 0.32313375180672 22.990 > 103 106 Na 0.24667932002212 0.08612000559730 0.82313375180672 22.990 > 103 107 Na 0.58001265335545 0.08612000559730 0.82313375180672 22.990 > 103 108 Na 0.91334598668879 0.08612000559730 0.82313375180672 22.990 > 103 109 Na 0.08665401331121 0.91387999440270 0.17686624819328 22.990 > 109 110 Na 0.41998734664455 0.91387999440270 0.17686624819328 22.990 > 109 111 Na 0.75332067997788 0.91387999440270 0.17686624819328 22.990 > 109 112 Na 0.08665401331121 0.91387999440270 0.67686624819328 22.990 > 109 113 Na 0.41998734664455 0.91387999440270 0.67686624819328 22.990 > 109 114 Na 0.75332067997788 0.91387999440270 0.67686624819328 22.990 > 109 115 Na 0.25207340564330 0.74543444628524 0.29767035260461 22.990 > 115 116 Na 0.58540673897664 0.74543444628524 0.29767035260461 22.990 > 115 117 Na 0.91874007230997 0.74543444628524 0.29767035260461 22.990 > 115 118 Na 0.25207340564330 0.74543444628524 0.79767035260461 22.990 > 115 119 Na 0.58540673897664 0.74543444628524 0.79767035260461 22.990 > 115 120 Na 0.91874007230997 0.74543444628524 0.79767035260461 22.990 > 115 121 Se 0.07358770943454 0.91558012861867 0.40855495468673 78.960 > 121 122 Se 0.40692104276788 0.91558012861867 0.40855495468673 78.960 > 121 123 Se 0.74025437610121 0.91558012861867 0.40855495468673 78.960 > 121 124 Se 0.07358770943454 0.91558012861867 0.90855495468673 78.960 > 121 125 Se 0.40692104276788 0.91558012861867 0.90855495468673 78.960 > 121 126 Se 0.74025437610121 0.91558012861867 0.90855495468673 78.960 > 121 127 Se 0.25974562389879 0.41558012861867 0.34144504531327 78.960 > 127 128 Se 0.59307895723212 0.41558012861867 0.34144504531327 78.960 > 127 129 Se 0.92641229056545 0.41558012861867 0.34144504531327 78.960 > 127 130 Se 0.25974562389879 0.41558012861867 0.84144504531327 78.960 > 127 131 Se 0.59307895723212 0.41558012861867 0.84144504531327 78.960 > 127 132 Se 0.92641229056545 0.41558012861867 0.84144504531327 78.960 > 127 133 Se 0.25974562389879 0.08441987138133 0.09144504531327 78.960 > 133 134 Se 0.59307895723212 0.08441987138133 0.09144504531327 78.960 > 133 135 Se 0.92641229056545 0.08441987138133 0.09144504531327 78.960 > 133 136 Se 0.25974562389879 0.08441987138133 0.59144504531327 78.960 > 133 137 Se 0.59307895723212 0.08441987138133 0.59144504531327 78.960 > 133 138 Se 0.92641229056545 0.08441987138133 0.59144504531327 78.960 > 133 139 Se 0.07358770943454 0.58441987138133 0.15855495468673 78.960 > 139 140 Se 0.40692104276788 0.58441987138133 0.15855495468673 78.960 > 139 141 Se 0.74025437610121 0.58441987138133 0.15855495468673 78.960 > 139 142 Se 0.07358770943454 0.58441987138133 0.65855495468673 78.960 > 139 143 Se 0.40692104276788 0.58441987138133 0.65855495468673 78.960 > 139 144 Se 0.74025437610121 0.58441987138133 0.65855495468673 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9440546 0.0000000 -0.2011688 0.0000000 3.0519363 0.0000000 -0.2011721 0.0000000 2.9042281 -------------------------- Born effective charges -------------------------- 1 O -2.3139238 0.0759009 0.0348955 -0.0326938 -1.0668004 0.0747912 0.6284441 0.0905443 -1.1706581 2 O -2.3139238 -0.0759009 0.0348955 0.0326938 -1.0668004 -0.0747912 0.6284441 -0.0905443 -1.1706581 3 O -2.3139238 0.0759009 0.0348955 -0.0326938 -1.0668004 0.0747912 0.6284441 0.0905443 -1.1706581 4 O -2.3139238 -0.0759009 0.0348955 0.0326938 -1.0668004 -0.0747912 0.6284441 -0.0905443 -1.1706581 5 O -1.0743582 -0.3834714 0.4018192 -0.1530534 -1.9377314 0.8432188 0.1060583 0.6322238 -1.6725322 6 O -1.0743582 0.3834714 0.4018192 0.1530534 -1.9377314 -0.8432188 0.1060583 -0.6322238 -1.6725322 7 O -1.0743582 -0.3834714 0.4018192 -0.1530534 -1.9377314 0.8432188 0.1060583 0.6322238 -1.6725322 8 O -1.0743582 0.3834714 0.4018192 0.1530534 -1.9377314 -0.8432188 0.1060583 -0.6322238 -1.6725322 9 O -1.0225329 0.2977883 0.2526783 0.0070804 -1.9805270 -0.8185380 0.0015152 -0.4548968 -1.4262431 10 O -1.0225329 -0.2977883 0.2526783 -0.0070804 -1.9805270 0.8185380 0.0015152 0.4548968 -1.4262431 11 O -1.0225329 0.2977883 0.2526783 0.0070804 -1.9805270 -0.8185380 0.0015152 -0.4548968 -1.4262431 12 O -1.0225329 -0.2977883 0.2526783 -0.0070804 -1.9805270 0.8185380 0.0015152 0.4548968 -1.4262431 13 Na 1.0333381 0.0275848 0.0244091 0.0014945 0.9786209 -0.0380735 0.0061656 0.0240059 1.1063655 14 Na 1.1118325 -0.0083247 0.0077034 -0.0014697 1.2472510 0.0716510 0.0050726 -0.0242599 1.0330023 15 Na 1.1118325 0.0083247 0.0077034 0.0014697 1.2472510 -0.0716510 0.0050726 0.0242599 1.0330023 16 Na 1.1118325 -0.0083247 0.0077034 -0.0014697 1.2472510 0.0716510 0.0050726 -0.0242599 1.0330023 17 Na 1.0333381 0.0275848 0.0244091 0.0014945 0.9786209 -0.0380735 0.0061656 0.0240059 1.1063655 18 Na 1.0333381 -0.0275848 0.0244091 -0.0014945 0.9786209 0.0380735 0.0061656 -0.0240059 1.1063655 19 Na 1.0333381 -0.0275848 0.0244091 -0.0014945 0.9786209 0.0380735 0.0061656 -0.0240059 1.1063655 20 Na 1.1118325 0.0083247 0.0077034 0.0014697 1.2472510 -0.0716510 0.0050726 0.0242599 1.0330023 21 Se 2.2656443 -0.0566011 -0.7215055 -0.1937146 2.7591869 -0.0238281 -0.7472558 0.0978972 2.1300656 22 Se 2.2656443 0.0566011 -0.7215055 0.1937146 2.7591869 0.0238281 -0.7472558 -0.0978972 2.1300656 23 Se 2.2656443 -0.0566011 -0.7215055 -0.1937146 2.7591869 -0.0238281 -0.7472558 0.0978972 2.1300656 24 Se 2.2656443 0.0566011 -0.7215055 0.1937146 2.7591869 0.0238281 -0.7472558 -0.0978972 2.1300656 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 79, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 121, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 2026-01-07 20:48:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:48:57]------------------------- 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): [3 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.864376650548808 0.000000000000000 0.000000000000000 b 0.000000000000000 9.998290900000001 0.000000000000000 c -0.070083357011264 0.000000000000000 6.826703828016425 Atomic positions (fractional): 1 O 0.86999760175628 0.59836894264104 0.34184033919647 15.999 2 O 0.13000239824372 0.09836894264104 0.15815966080353 15.999 3 O 0.13000239824372 0.40163105735896 0.65815966080352 15.999 4 O 0.86999760175628 0.90163105735896 0.84184033919648 15.999 5 O 0.27784058850383 0.71215667059733 0.15040958662557 15.999 6 O 0.72215941149617 0.21215667059733 0.34959041337443 15.999 7 O 0.72215941149617 0.28784332940267 0.84959041337443 15.999 8 O 0.27784058850383 0.78784332940267 0.65040958662557 15.999 9 O 0.24781189163297 0.44344509841348 0.17083077787266 15.999 10 O 0.24781189163297 0.05655490158652 0.67083077787266 15.999 11 O 0.75218810836703 0.55655490158652 0.82916922212734 15.999 12 O 0.75218810836703 0.94344509841348 0.32916922212734 15.999 13 Na 0.74003796006636 0.41387999440270 0.14626750361344 22.990 14 Na 0.24377978307009 0.24543444628524 0.90465929479077 22.990 15 Na 0.24377978307009 0.25456555371476 0.40465929479077 22.990 16 Na 0.75622021692991 0.75456555371476 0.09534070520923 22.990 17 Na 0.25996203993364 0.58612000559730 0.85373249638656 22.990 18 Na 0.74003796006636 0.08612000559730 0.64626750361344 22.990 19 Na 0.25996203993364 0.91387999440270 0.35373249638656 22.990 20 Na 0.75622021692991 0.74543444628524 0.59534070520923 22.990 21 Se 0.22076312830363 0.91558012861867 0.81710990937345 78.960 22 Se 0.77923687169636 0.41558012861867 0.68289009062655 78.960 23 Se 0.77923687169636 0.08441987138133 0.18289009062655 78.960 24 Se 0.22076312830363 0.58441987138133 0.31710990937345 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.593129951646423 0.000000000000000 0.000000000000000 b 0.000000000000000 9.998290900000001 0.000000000000000 c -0.140166714022528 0.000000000000000 13.653407656032851 Atomic positions (fractional): 1 O 0.28999920058543 0.59836894264104 0.17092016959824 15.999 > 1 2 O 0.62333253391876 0.59836894264104 0.17092016959824 15.999 > 1 3 O 0.95666586725209 0.59836894264104 0.17092016959824 15.999 > 1 4 O 0.28999920058543 0.59836894264104 0.67092016959824 15.999 > 1 5 O 0.62333253391876 0.59836894264104 0.67092016959824 15.999 > 1 6 O 0.95666586725209 0.59836894264104 0.67092016959824 15.999 > 1 7 O 0.04333413274791 0.09836894264104 0.07907983040176 15.999 > 7 8 O 0.37666746608124 0.09836894264104 0.07907983040176 15.999 > 7 9 O 0.71000079941457 0.09836894264104 0.07907983040176 15.999 > 7 10 O 0.04333413274791 0.09836894264104 0.57907983040176 15.999 > 7 11 O 0.37666746608124 0.09836894264104 0.57907983040176 15.999 > 7 12 O 0.71000079941457 0.09836894264104 0.57907983040176 15.999 > 7 13 O 0.04333413274791 0.40163105735896 0.32907983040176 15.999 > 13 14 O 0.37666746608124 0.40163105735896 0.32907983040176 15.999 > 13 15 O 0.71000079941457 0.40163105735896 0.32907983040176 15.999 > 13 16 O 0.04333413274791 0.40163105735896 0.82907983040176 15.999 > 13 17 O 0.37666746608124 0.40163105735896 0.82907983040176 15.999 > 13 18 O 0.71000079941457 0.40163105735896 0.82907983040176 15.999 > 13 19 O 0.28999920058543 0.90163105735896 0.42092016959824 15.999 > 19 20 O 0.62333253391876 0.90163105735896 0.42092016959824 15.999 > 19 21 O 0.95666586725209 0.90163105735896 0.42092016959824 15.999 > 19 22 O 0.28999920058543 0.90163105735896 0.92092016959824 15.999 > 19 23 O 0.62333253391876 0.90163105735896 0.92092016959824 15.999 > 19 24 O 0.95666586725209 0.90163105735896 0.92092016959824 15.999 > 19 25 O 0.09261352950128 0.71215667059733 0.07520479331278 15.999 > 25 26 O 0.42594686283461 0.71215667059733 0.07520479331278 15.999 > 25 27 O 0.75928019616794 0.71215667059733 0.07520479331278 15.999 > 25 28 O 0.09261352950128 0.71215667059733 0.57520479331278 15.999 > 25 29 O 0.42594686283461 0.71215667059733 0.57520479331278 15.999 > 25 30 O 0.75928019616794 0.71215667059733 0.57520479331278 15.999 > 25 31 O 0.24071980383206 0.21215667059733 0.17479520668722 15.999 > 31 32 O 0.57405313716539 0.21215667059733 0.17479520668722 15.999 > 31 33 O 0.90738647049872 0.21215667059733 0.17479520668722 15.999 > 31 34 O 0.24071980383206 0.21215667059733 0.67479520668722 15.999 > 31 35 O 0.57405313716539 0.21215667059733 0.67479520668722 15.999 > 31 36 O 0.90738647049872 0.21215667059733 0.67479520668722 15.999 > 31 37 O 0.24071980383206 0.28784332940267 0.42479520668722 15.999 > 37 38 O 0.57405313716539 0.28784332940267 0.42479520668722 15.999 > 37 39 O 0.90738647049872 0.28784332940267 0.42479520668722 15.999 > 37 40 O 0.24071980383206 0.28784332940267 0.92479520668722 15.999 > 37 41 O 0.57405313716539 0.28784332940267 0.92479520668722 15.999 > 37 42 O 0.90738647049872 0.28784332940267 0.92479520668722 15.999 > 37 43 O 0.09261352950128 0.78784332940267 0.32520479331278 15.999 > 43 44 O 0.42594686283461 0.78784332940267 0.32520479331278 15.999 > 43 45 O 0.75928019616794 0.78784332940267 0.32520479331278 15.999 > 43 46 O 0.09261352950128 0.78784332940267 0.82520479331278 15.999 > 43 47 O 0.42594686283461 0.78784332940267 0.82520479331278 15.999 > 43 48 O 0.75928019616794 0.78784332940267 0.82520479331278 15.999 > 43 49 O 0.08260396387766 0.44344509841348 0.08541538893633 15.999 > 49 50 O 0.41593729721099 0.44344509841348 0.08541538893633 15.999 > 49 51 O 0.74927063054432 0.44344509841348 0.08541538893633 15.999 > 49 52 O 0.08260396387766 0.44344509841348 0.58541538893633 15.999 > 49 53 O 0.41593729721099 0.44344509841348 0.58541538893633 15.999 > 49 54 O 0.74927063054432 0.44344509841348 0.58541538893633 15.999 > 49 55 O 0.08260396387766 0.05655490158652 0.33541538893633 15.999 > 55 56 O 0.41593729721099 0.05655490158652 0.33541538893633 15.999 > 55 57 O 0.74927063054432 0.05655490158652 0.33541538893633 15.999 > 55 58 O 0.08260396387766 0.05655490158652 0.83541538893633 15.999 > 55 59 O 0.41593729721099 0.05655490158652 0.83541538893633 15.999 > 55 60 O 0.74927063054432 0.05655490158652 0.83541538893633 15.999 > 55 61 O 0.25072936945568 0.55655490158652 0.41458461106367 15.999 > 61 62 O 0.58406270278901 0.55655490158652 0.41458461106367 15.999 > 61 63 O 0.91739603612234 0.55655490158652 0.41458461106367 15.999 > 61 64 O 0.25072936945568 0.55655490158652 0.91458461106367 15.999 > 61 65 O 0.58406270278901 0.55655490158652 0.91458461106367 15.999 > 61 66 O 0.91739603612234 0.55655490158652 0.91458461106367 15.999 > 61 67 O 0.25072936945568 0.94344509841348 0.16458461106367 15.999 > 67 68 O 0.58406270278901 0.94344509841348 0.16458461106367 15.999 > 67 69 O 0.91739603612234 0.94344509841348 0.16458461106367 15.999 > 67 70 O 0.25072936945568 0.94344509841348 0.66458461106367 15.999 > 67 71 O 0.58406270278901 0.94344509841348 0.66458461106367 15.999 > 67 72 O 0.91739603612234 0.94344509841348 0.66458461106367 15.999 > 67 73 Na 0.24667932002212 0.41387999440270 0.07313375180672 22.990 > 73 74 Na 0.58001265335545 0.41387999440270 0.07313375180672 22.990 > 73 75 Na 0.91334598668879 0.41387999440270 0.07313375180672 22.990 > 73 76 Na 0.24667932002212 0.41387999440270 0.57313375180672 22.990 > 73 77 Na 0.58001265335545 0.41387999440270 0.57313375180672 22.990 > 73 78 Na 0.91334598668879 0.41387999440270 0.57313375180672 22.990 > 73 79 Na 0.08125992769003 0.24543444628524 0.45232964739539 22.990 > 79 80 Na 0.41459326102336 0.24543444628524 0.45232964739539 22.990 > 79 81 Na 0.74792659435670 0.24543444628524 0.45232964739539 22.990 > 79 82 Na 0.08125992769003 0.24543444628524 0.95232964739539 22.990 > 79 83 Na 0.41459326102336 0.24543444628524 0.95232964739539 22.990 > 79 84 Na 0.74792659435670 0.24543444628524 0.95232964739539 22.990 > 79 85 Na 0.08125992769003 0.25456555371476 0.20232964739539 22.990 > 85 86 Na 0.41459326102336 0.25456555371476 0.20232964739539 22.990 > 85 87 Na 0.74792659435670 0.25456555371476 0.20232964739539 22.990 > 85 88 Na 0.08125992769003 0.25456555371476 0.70232964739539 22.990 > 85 89 Na 0.41459326102336 0.25456555371476 0.70232964739539 22.990 > 85 90 Na 0.74792659435670 0.25456555371476 0.70232964739539 22.990 > 85 91 Na 0.25207340564330 0.75456555371476 0.04767035260461 22.990 > 91 92 Na 0.58540673897664 0.75456555371476 0.04767035260461 22.990 > 91 93 Na 0.91874007230997 0.75456555371476 0.04767035260461 22.990 > 91 94 Na 0.25207340564330 0.75456555371476 0.54767035260461 22.990 > 91 95 Na 0.58540673897664 0.75456555371476 0.54767035260461 22.990 > 91 96 Na 0.91874007230997 0.75456555371476 0.54767035260461 22.990 > 91 97 Na 0.08665401331121 0.58612000559730 0.42686624819328 22.990 > 97 98 Na 0.41998734664455 0.58612000559730 0.42686624819328 22.990 > 97 99 Na 0.75332067997788 0.58612000559730 0.42686624819328 22.990 > 97 100 Na 0.08665401331121 0.58612000559730 0.92686624819328 22.990 > 97 101 Na 0.41998734664455 0.58612000559730 0.92686624819328 22.990 > 97 102 Na 0.75332067997788 0.58612000559730 0.92686624819328 22.990 > 97 103 Na 0.24667932002212 0.08612000559730 0.32313375180672 22.990 > 103 104 Na 0.58001265335545 0.08612000559730 0.32313375180672 22.990 > 103 105 Na 0.91334598668879 0.08612000559730 0.32313375180672 22.990 > 103 106 Na 0.24667932002212 0.08612000559730 0.82313375180672 22.990 > 103 107 Na 0.58001265335545 0.08612000559730 0.82313375180672 22.990 > 103 108 Na 0.91334598668879 0.08612000559730 0.82313375180672 22.990 > 103 109 Na 0.08665401331121 0.91387999440270 0.17686624819328 22.990 > 109 110 Na 0.41998734664455 0.91387999440270 0.17686624819328 22.990 > 109 111 Na 0.75332067997788 0.91387999440270 0.17686624819328 22.990 > 109 112 Na 0.08665401331121 0.91387999440270 0.67686624819328 22.990 > 109 113 Na 0.41998734664455 0.91387999440270 0.67686624819328 22.990 > 109 114 Na 0.75332067997788 0.91387999440270 0.67686624819328 22.990 > 109 115 Na 0.25207340564330 0.74543444628524 0.29767035260461 22.990 > 115 116 Na 0.58540673897664 0.74543444628524 0.29767035260461 22.990 > 115 117 Na 0.91874007230997 0.74543444628524 0.29767035260461 22.990 > 115 118 Na 0.25207340564330 0.74543444628524 0.79767035260461 22.990 > 115 119 Na 0.58540673897664 0.74543444628524 0.79767035260461 22.990 > 115 120 Na 0.91874007230997 0.74543444628524 0.79767035260461 22.990 > 115 121 Se 0.07358770943454 0.91558012861867 0.40855495468673 78.960 > 121 122 Se 0.40692104276788 0.91558012861867 0.40855495468673 78.960 > 121 123 Se 0.74025437610121 0.91558012861867 0.40855495468673 78.960 > 121 124 Se 0.07358770943454 0.91558012861867 0.90855495468673 78.960 > 121 125 Se 0.40692104276788 0.91558012861867 0.90855495468673 78.960 > 121 126 Se 0.74025437610121 0.91558012861867 0.90855495468673 78.960 > 121 127 Se 0.25974562389879 0.41558012861867 0.34144504531327 78.960 > 127 128 Se 0.59307895723212 0.41558012861867 0.34144504531327 78.960 > 127 129 Se 0.92641229056545 0.41558012861867 0.34144504531327 78.960 > 127 130 Se 0.25974562389879 0.41558012861867 0.84144504531327 78.960 > 127 131 Se 0.59307895723212 0.41558012861867 0.84144504531327 78.960 > 127 132 Se 0.92641229056545 0.41558012861867 0.84144504531327 78.960 > 127 133 Se 0.25974562389879 0.08441987138133 0.09144504531327 78.960 > 133 134 Se 0.59307895723212 0.08441987138133 0.09144504531327 78.960 > 133 135 Se 0.92641229056545 0.08441987138133 0.09144504531327 78.960 > 133 136 Se 0.25974562389879 0.08441987138133 0.59144504531327 78.960 > 133 137 Se 0.59307895723212 0.08441987138133 0.59144504531327 78.960 > 133 138 Se 0.92641229056545 0.08441987138133 0.59144504531327 78.960 > 133 139 Se 0.07358770943454 0.58441987138133 0.15855495468673 78.960 > 139 140 Se 0.40692104276788 0.58441987138133 0.15855495468673 78.960 > 139 141 Se 0.74025437610121 0.58441987138133 0.15855495468673 78.960 > 139 142 Se 0.07358770943454 0.58441987138133 0.65855495468673 78.960 > 139 143 Se 0.40692104276788 0.58441987138133 0.65855495468673 78.960 > 139 144 Se 0.74025437610121 0.58441987138133 0.65855495468673 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9440546 0.0000000 -0.2011688 0.0000000 3.0519363 0.0000000 -0.2011721 0.0000000 2.9042281 -------------------------- Born effective charges -------------------------- 1 O -2.3139238 0.0759009 0.0348955 -0.0326938 -1.0668004 0.0747912 0.6284441 0.0905443 -1.1706581 2 O -2.3139238 -0.0759009 0.0348955 0.0326938 -1.0668004 -0.0747912 0.6284441 -0.0905443 -1.1706581 3 O -2.3139238 0.0759009 0.0348955 -0.0326938 -1.0668004 0.0747912 0.6284441 0.0905443 -1.1706581 4 O -2.3139238 -0.0759009 0.0348955 0.0326938 -1.0668004 -0.0747912 0.6284441 -0.0905443 -1.1706581 5 O -1.0743582 -0.3834714 0.4018192 -0.1530534 -1.9377314 0.8432188 0.1060583 0.6322238 -1.6725322 6 O -1.0743582 0.3834714 0.4018192 0.1530534 -1.9377314 -0.8432188 0.1060583 -0.6322238 -1.6725322 7 O -1.0743582 -0.3834714 0.4018192 -0.1530534 -1.9377314 0.8432188 0.1060583 0.6322238 -1.6725322 8 O -1.0743582 0.3834714 0.4018192 0.1530534 -1.9377314 -0.8432188 0.1060583 -0.6322238 -1.6725322 9 O -1.0225329 0.2977883 0.2526783 0.0070804 -1.9805270 -0.8185380 0.0015152 -0.4548968 -1.4262431 10 O -1.0225329 -0.2977883 0.2526783 -0.0070804 -1.9805270 0.8185380 0.0015152 0.4548968 -1.4262431 11 O -1.0225329 0.2977883 0.2526783 0.0070804 -1.9805270 -0.8185380 0.0015152 -0.4548968 -1.4262431 12 O -1.0225329 -0.2977883 0.2526783 -0.0070804 -1.9805270 0.8185380 0.0015152 0.4548968 -1.4262431 13 Na 1.0333381 0.0275848 0.0244091 0.0014945 0.9786209 -0.0380735 0.0061656 0.0240059 1.1063655 14 Na 1.1118325 -0.0083247 0.0077034 -0.0014697 1.2472510 0.0716510 0.0050726 -0.0242599 1.0330023 15 Na 1.1118325 0.0083247 0.0077034 0.0014697 1.2472510 -0.0716510 0.0050726 0.0242599 1.0330023 16 Na 1.1118325 -0.0083247 0.0077034 -0.0014697 1.2472510 0.0716510 0.0050726 -0.0242599 1.0330023 17 Na 1.0333381 0.0275848 0.0244091 0.0014945 0.9786209 -0.0380735 0.0061656 0.0240059 1.1063655 18 Na 1.0333381 -0.0275848 0.0244091 -0.0014945 0.9786209 0.0380735 0.0061656 -0.0240059 1.1063655 19 Na 1.0333381 -0.0275848 0.0244091 -0.0014945 0.9786209 0.0380735 0.0061656 -0.0240059 1.1063655 20 Na 1.1118325 0.0083247 0.0077034 0.0014697 1.2472510 -0.0716510 0.0050726 0.0242599 1.0330023 21 Se 2.2656443 -0.0566011 -0.7215055 -0.1937146 2.7591869 -0.0238281 -0.7472558 0.0978972 2.1300656 22 Se 2.2656443 0.0566011 -0.7215055 0.1937146 2.7591869 0.0238281 -0.7472558 -0.0978972 2.1300656 23 Se 2.2656443 -0.0566011 -0.7215055 -0.1937146 2.7591869 -0.0238281 -0.7472558 0.0978972 2.1300656 24 Se 2.2656443 0.0566011 -0.7215055 0.1937146 2.7591869 0.0238281 -0.7472558 -0.0978972 2.1300656 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 5 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 293, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/108) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 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 1.844 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.478 ( 0.000 0.000 0.000) 0.000 2.628 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.161 ( 0.000 0.000 0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.795 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.442 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.836 ( 0.000 0.000 0.000) 0.000 4.932 ( 0.000 0.000 0.000) 0.000 4.954 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.145 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.633 ( 0.000 0.000 0.000) 0.000 5.709 ( 0.000 0.000 0.000) 0.000 5.820 ( 0.000 0.000 0.000) 0.000 5.828 ( 0.000 0.000 0.000) 0.000 6.037 ( 0.000 0.000 0.000) 0.000 6.096 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.335 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.669 ( 0.000 0.000 0.000) 0.000 6.729 ( 0.000 0.000 0.000) 0.000 6.777 ( 0.000 0.000 0.000) 0.000 7.249 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.362 ( 0.000 0.000 0.000) 0.000 7.644 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.780 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 10.788 ( 0.000 0.000 0.000) 0.000 11.101 ( 0.000 0.000 0.000) 0.000 11.179 ( 0.000 0.000 0.000) 0.000 11.195 ( 0.000 0.000 0.000) 0.000 11.226 ( 0.000 0.000 0.000) 0.000 11.489 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 12.523 ( 0.000 0.000 0.000) 0.000 12.666 ( 0.000 0.000 0.000) 0.000 13.015 ( 0.000 0.000 0.000) 0.000 13.216 ( 0.000 0.000 0.000) 0.000 20.313 ( 0.000 0.000 0.000) 0.000 20.368 ( 0.000 0.000 0.000) 0.000 20.434 ( 0.000 0.000 0.000) 0.000 20.712 ( 0.000 0.000 0.000) 0.000 20.725 ( 0.000 0.000 0.000) 0.000 21.094 ( 0.000 0.000 0.000) 0.000 21.175 ( 0.000 0.000 0.000) 0.000 22.378 ( 0.000 0.000 0.000) 0.000 22.441 ( 0.000 0.000 0.000) 0.000 22.688 ( 0.000 0.000 0.000) 0.000 22.709 ( 0.000 0.000 0.000) 0.000 22.901 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/108) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( 23.307 0.000 0.441) 23.311 0.576 ( 27.329 0.000 -1.330) 27.362 0.840 ( 40.122 0.000 -8.975) 41.113 1.891 ( 4.588 0.000 -0.893) 4.674 2.331 ( 2.901 0.000 -2.154) 3.613 2.464 ( -0.731 0.000 1.604) 1.763 2.650 ( 2.103 0.000 -2.323) 3.134 2.872 ( -0.513 0.000 3.445) 3.483 2.892 ( 5.834 0.000 -0.617) 5.866 3.053 ( 1.452 0.000 -2.410) 2.814 3.172 ( 0.641 0.000 2.458) 2.541 3.612 ( -2.283 0.000 1.090) 2.529 3.753 ( -0.901 0.000 -2.129) 2.312 3.854 ( 3.016 0.000 3.731) 4.798 3.925 ( -0.422 0.000 2.147) 2.188 4.172 ( -8.760 0.000 5.349) 10.264 4.325 ( -3.174 0.000 -4.512) 5.517 4.391 ( -3.782 0.000 -1.201) 3.968 4.589 ( -7.471 0.000 9.787) 12.313 4.600 ( 7.590 0.000 -3.286) 8.270 4.842 ( -9.094 0.000 -6.037) 10.916 4.921 ( -10.988 0.000 5.288) 12.194 5.011 ( 4.127 0.000 -1.968) 4.572 5.109 ( -4.292 0.000 4.031) 5.889 5.122 ( 8.223 0.000 -5.537) 9.914 5.233 ( 0.910 0.000 0.970) 1.330 5.370 ( 0.341 0.000 -7.437) 7.445 5.510 ( 6.300 0.000 -4.887) 7.973 5.648 ( 1.983 0.000 -2.154) 2.928 5.693 ( -4.269 0.000 -2.397) 4.896 5.786 ( -5.669 0.000 3.504) 6.665 5.960 ( 0.480 0.000 1.000) 1.109 5.984 ( -3.233 0.000 1.306) 3.487 6.146 ( 4.091 0.000 2.478) 4.783 6.293 ( 5.188 0.000 4.717) 7.011 6.425 ( 6.568 0.000 0.713) 6.606 6.643 ( -4.209 0.000 19.432) 19.883 6.661 ( -0.256 0.000 4.487) 4.494 6.674 ( -5.221 0.000 -0.226) 5.226 6.721 ( -5.304 0.000 -4.455) 6.927 7.235 ( -1.318 0.000 1.027) 1.671 7.390 ( 2.629 0.000 0.965) 2.801 7.507 ( -4.287 0.000 11.442) 12.219 7.638 ( -0.675 0.000 -6.312) 6.348 7.758 ( -1.968 0.000 5.610) 5.945 7.905 ( -4.799 0.000 2.163) 5.264 8.003 ( -4.945 0.000 -19.961) 20.564 8.227 ( 5.274 0.000 -10.328) 11.597 10.982 ( 0.502 0.000 -20.612) 20.619 11.053 ( -6.644 0.000 2.717) 7.178 11.104 ( 0.359 0.000 1.209) 1.261 11.193 ( 1.300 0.000 0.161) 1.310 11.379 ( 7.712 0.000 -1.663) 7.889 11.506 ( 1.524 0.000 -0.381) 1.571 11.767 ( 3.008 0.000 -0.225) 3.017 11.793 ( 0.400 0.000 -1.723) 1.768 12.689 ( 2.091 0.000 1.020) 2.326 12.794 ( -2.323 0.000 42.221) 42.285 13.047 ( 2.617 0.000 3.569) 4.425 13.231 ( 1.279 0.000 -1.293) 1.819 20.376 ( 0.722 0.000 1.116) 1.329 20.455 ( 1.975 0.000 -0.376) 2.010 20.720 ( 0.557 0.000 2.072) 2.145 20.731 ( 0.610 0.000 0.453) 0.759 21.112 ( 1.118 0.000 -2.293) 2.551 21.187 ( 1.824 0.000 0.590) 1.917 21.304 ( 1.354 0.000 -68.440) 68.453 22.390 ( -4.836 0.000 -4.821) 6.829 22.664 ( -1.531 0.000 -0.149) 1.538 22.678 ( 0.022 0.000 -2.056) 2.057 22.963 ( 5.187 0.000 -0.319) 5.197 23.467 ( 0.919 0.000 -14.507) 14.536 ======================= Grid point 2 (3/108) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.955 ( 22.705 0.000 0.720) 22.716 1.107 ( 23.954 0.000 -0.598) 23.962 1.620 ( 34.795 0.000 -9.266) 36.008 2.035 ( 9.956 0.000 -1.047) 10.011 2.418 ( 5.380 0.000 -3.065) 6.192 2.476 ( 2.374 0.000 1.016) 2.582 2.711 ( 3.823 0.000 -3.858) 5.432 2.848 ( -1.502 0.000 4.541) 4.783 3.032 ( 7.292 0.000 -0.888) 7.346 3.101 ( 2.747 0.000 -2.385) 3.638 3.162 ( -2.125 0.000 6.690) 7.019 3.586 ( 0.414 0.000 0.568) 0.703 3.766 ( 2.181 0.000 -1.843) 2.855 3.910 ( 1.637 0.000 3.909) 4.238 3.918 ( -0.233 0.000 1.269) 1.290 4.028 ( -5.071 0.000 5.430) 7.430 4.145 ( -12.053 0.000 0.879) 12.085 4.293 ( -5.026 0.000 -3.105) 5.908 4.545 ( -1.674 0.000 1.615) 2.326 4.614 ( -11.934 0.000 -5.102) 12.979 4.664 ( -0.563 0.000 -4.909) 4.941 4.731 ( -4.862 0.000 3.454) 5.964 4.947 ( -10.729 0.000 0.738) 10.755 5.170 ( 8.923 0.000 1.483) 9.046 5.187 ( -2.419 0.000 1.217) 2.708 5.242 ( 0.025 0.000 -1.853) 1.853 5.370 ( -0.542 0.000 -4.276) 4.310 5.535 ( -6.562 0.000 1.964) 6.849 5.605 ( 3.462 0.000 -4.062) 5.337 5.710 ( 4.186 0.000 -5.400) 6.832 5.728 ( -1.326 0.000 0.797) 1.547 5.962 ( 1.346 0.000 3.384) 3.642 6.043 ( 5.177 0.000 0.159) 5.180 6.275 ( 6.881 0.000 3.955) 7.937 6.302 ( -3.762 0.000 4.713) 6.030 6.497 ( -6.566 0.000 -2.028) 6.872 6.532 ( -6.442 0.000 5.413) 8.415 6.551 ( -5.398 0.000 -3.886) 6.651 6.596 ( -0.239 0.000 -1.737) 1.753 6.678 ( 1.466 0.000 3.258) 3.573 7.195 ( -2.589 0.000 2.230) 3.417 7.409 ( -4.548 0.000 2.751) 5.315 7.464 ( 4.237 0.000 1.323) 4.439 7.600 ( -3.091 0.000 -8.146) 8.713 7.713 ( -3.217 0.000 6.627) 7.366 7.793 ( -4.344 0.000 3.493) 5.574 7.902 ( -4.700 0.000 -8.209) 9.460 8.325 ( 4.279 0.000 -1.158) 4.433 10.946 ( -3.846 0.000 2.209) 4.435 10.990 ( 0.599 0.000 -10.035) 10.053 11.116 ( 0.792 0.000 1.750) 1.921 11.228 ( 1.877 0.000 0.251) 1.894 11.521 ( 6.111 0.000 -0.765) 6.158 11.546 ( 2.214 0.000 -0.430) 2.255 11.805 ( 0.874 0.000 -2.457) 2.608 11.844 ( 4.155 0.000 -0.696) 4.213 12.743 ( 2.904 0.000 1.350) 3.202 12.754 ( -1.949 0.000 15.556) 15.677 13.107 ( 2.912 0.000 2.540) 3.865 13.261 ( 1.476 0.000 -1.909) 2.413 20.396 ( 1.083 0.000 1.843) 2.138 20.515 ( 3.868 0.000 -1.027) 4.002 20.722 ( -0.664 0.000 3.062) 3.133 20.751 ( 1.393 0.000 1.663) 2.169 21.127 ( 0.910 0.000 -6.128) 6.195 21.265 ( 5.176 0.000 3.646) 6.331 21.313 ( 0.335 0.000 -27.785) 27.787 22.247 ( -8.671 0.000 -6.559) 10.872 22.646 ( -0.064 0.000 -0.512) 0.516 22.689 ( 1.139 0.000 0.163) 1.151 23.084 ( 6.079 0.000 -0.322) 6.088 23.488 ( 1.261 0.000 -6.521) 6.642 ======================= Grid point 3 (4/108) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( 20.362 0.000 0.849) 20.379 1.545 ( 18.214 0.000 0.264) 18.216 2.132 ( 13.896 0.000 -6.007) 15.139 2.388 ( 23.970 0.000 -4.430) 24.376 2.531 ( 5.490 0.000 -1.505) 5.692 2.574 ( 6.716 0.000 -2.860) 7.300 2.794 ( 3.113 0.000 -5.438) 6.266 2.837 ( 1.872 0.000 6.877) 7.128 3.102 ( -3.176 0.000 10.337) 10.814 3.152 ( 2.485 0.000 -1.489) 2.897 3.173 ( 6.069 0.000 -0.575) 6.096 3.627 ( 3.214 0.000 -1.574) 3.579 3.811 ( -1.210 0.000 -0.259) 1.237 3.856 ( -3.744 0.000 3.372) 5.039 3.889 ( -8.466 0.000 1.196) 8.550 3.923 ( -3.294 0.000 -0.984) 3.438 4.021 ( 2.908 0.000 6.271) 6.912 4.217 ( -1.326 0.000 -4.833) 5.012 4.371 ( -11.257 0.000 -4.784) 12.231 4.394 ( -10.074 0.000 3.981) 10.832 4.597 ( -7.078 0.000 -3.347) 7.829 4.702 ( -10.128 0.000 -1.226) 10.202 4.779 ( 5.739 0.000 -0.529) 5.763 5.131 ( -1.752 0.000 1.024) 2.030 5.201 ( -2.844 0.000 0.890) 2.980 5.255 ( -1.657 0.000 -3.903) 4.240 5.409 ( 5.287 0.000 2.153) 5.709 5.488 ( 0.892 0.000 3.468) 3.580 5.634 ( 0.224 0.000 -1.158) 1.179 5.697 ( -1.968 0.000 0.231) 1.982 5.824 ( 5.315 0.000 -6.196) 8.164 6.027 ( 4.251 0.000 3.013) 5.211 6.083 ( -3.888 0.000 2.815) 4.800 6.237 ( 0.026 0.000 1.675) 1.675 6.248 ( -10.430 0.000 0.871) 10.466 6.335 ( -8.482 0.000 -2.809) 8.935 6.407 ( -4.644 0.000 0.779) 4.709 6.464 ( 1.671 0.000 -1.827) 2.476 6.689 ( 5.573 0.000 -0.136) 5.574 6.693 ( -0.432 0.000 0.868) 0.969 7.142 ( -2.069 0.000 1.167) 2.376 7.339 ( -2.398 0.000 1.963) 3.099 7.509 ( -3.106 0.000 -3.031) 4.340 7.550 ( -0.225 0.000 -0.850) 0.879 7.620 ( -2.224 0.000 4.481) 5.002 7.772 ( 0.727 0.000 1.859) 1.996 7.806 ( -4.407 0.000 -3.264) 5.485 8.401 ( 3.106 0.000 0.517) 3.149 10.892 ( -1.562 0.000 1.412) 2.106 11.000 ( 0.518 0.000 -5.736) 5.760 11.136 ( 0.978 0.000 1.478) 1.772 11.265 ( 1.619 0.000 0.235) 1.635 11.589 ( 1.905 0.000 -0.263) 1.923 11.628 ( 4.253 0.000 -0.252) 4.260 11.827 ( 1.195 0.000 -2.132) 2.444 11.925 ( 3.540 0.000 -0.659) 3.601 12.724 ( -1.215 0.000 6.826) 6.934 12.799 ( 2.334 0.000 1.111) 2.585 13.160 ( 2.159 0.000 1.286) 2.513 13.285 ( 0.846 0.000 -1.716) 1.913 20.420 ( 1.268 0.000 2.306) 2.632 20.609 ( 5.137 0.000 -2.584) 5.751 20.689 ( -2.411 0.000 1.734) 2.970 20.787 ( 1.928 0.000 4.244) 4.662 21.156 ( 1.836 0.000 -5.953) 6.230 21.301 ( -1.060 0.000 -13.304) 13.347 21.378 ( 5.251 0.000 4.377) 6.836 22.050 ( -9.729 0.000 -5.967) 11.413 22.660 ( 1.277 0.000 -0.737) 1.474 22.723 ( 2.058 0.000 -0.143) 2.063 23.200 ( 5.046 0.000 -0.213) 5.050 23.512 ( 1.164 0.000 -3.364) 3.559 ======================= Grid point 4 (5/108) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 14.027 0.000 0.661) 14.043 1.841 ( 10.201 0.000 0.585) 10.217 2.348 ( 8.031 0.000 -3.099) 8.608 2.639 ( 4.595 0.000 -1.376) 4.796 2.707 ( 5.203 0.000 -4.113) 6.632 2.731 ( 6.204 0.000 -4.429) 7.622 2.804 ( -0.538 0.000 -0.905) 1.053 2.996 ( 11.793 0.000 4.278) 12.545 3.062 ( -0.329 0.000 9.766) 9.771 3.228 ( 5.532 0.000 -2.673) 6.144 3.263 ( 2.076 0.000 0.630) 2.170 3.681 ( -6.447 0.000 0.509) 6.467 3.684 ( -2.049 0.000 -0.169) 2.056 3.726 ( -0.377 0.000 -5.560) 5.573 3.804 ( -5.456 0.000 3.220) 6.336 3.889 ( -2.242 0.000 0.288) 2.261 4.094 ( 3.892 0.000 6.184) 7.307 4.173 ( -7.233 0.000 0.281) 7.238 4.201 ( -7.886 0.000 1.587) 8.044 4.258 ( 3.950 0.000 -6.619) 7.708 4.389 ( -8.433 0.000 -1.538) 8.572 4.572 ( -5.282 0.000 -0.854) 5.350 4.874 ( 2.951 0.000 -2.032) 3.583 5.094 ( -2.613 0.000 -0.646) 2.691 5.213 ( 4.685 0.000 4.436) 6.452 5.236 ( 1.466 0.000 -5.153) 5.358 5.450 ( -2.182 0.000 4.655) 5.141 5.541 ( 2.395 0.000 2.333) 3.343 5.646 ( -2.082 0.000 0.290) 2.102 5.647 ( 1.557 0.000 0.167) 1.566 5.850 ( -3.083 0.000 -1.592) 3.469 5.979 ( -3.668 0.000 3.105) 4.806 5.989 ( -9.921 0.000 -5.069) 11.141 6.159 ( 4.009 0.000 1.538) 4.294 6.204 ( -3.539 0.000 -1.412) 3.810 6.210 ( -1.818 0.000 -0.684) 1.943 6.398 ( 2.490 0.000 -0.195) 2.497 6.470 ( -1.467 0.000 0.525) 1.558 6.667 ( -1.590 0.000 0.168) 1.599 6.798 ( 4.376 0.000 -0.081) 4.376 7.130 ( 1.001 0.000 -1.208) 1.569 7.294 ( -2.405 0.000 2.863) 3.739 7.443 ( -2.431 0.000 -1.546) 2.881 7.478 ( -3.685 0.000 0.253) 3.693 7.669 ( 3.277 0.000 2.617) 4.194 7.729 ( -2.758 0.000 -1.091) 2.966 7.788 ( 0.484 0.000 -0.343) 0.593 8.450 ( 1.653 0.000 0.463) 1.716 10.874 ( -0.415 0.000 0.655) 0.776 11.008 ( 0.270 0.000 -2.661) 2.674 11.154 ( 0.678 0.000 0.770) 1.025 11.291 ( 0.883 0.000 0.137) 0.893 11.620 ( 1.053 0.000 -0.103) 1.058 11.695 ( 2.229 0.000 -0.075) 2.230 11.849 ( 0.892 0.000 -1.177) 1.477 11.983 ( 1.946 0.000 -0.379) 1.983 12.707 ( -0.557 0.000 2.629) 2.687 12.836 ( 1.188 0.000 0.609) 1.335 13.194 ( 1.091 0.000 0.524) 1.211 13.295 ( 0.238 0.000 -0.975) 1.004 20.447 ( 1.175 0.000 2.094) 2.401 20.637 ( -2.324 0.000 -0.065) 2.325 20.711 ( 4.415 0.000 -4.950) 6.633 20.825 ( 1.413 0.000 7.145) 7.284 21.190 ( 1.358 0.000 -3.414) 3.674 21.271 ( -1.336 0.000 -6.185) 6.328 21.467 ( 3.119 0.000 2.925) 4.276 21.870 ( -6.983 0.000 -3.726) 7.914 22.689 ( 1.277 0.000 -0.545) 1.389 22.764 ( 1.628 0.000 -0.280) 1.652 23.283 ( 2.861 0.000 -0.101) 2.863 23.531 ( 0.682 0.000 -1.444) 1.597 ======================= Grid point 5 (6/108) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.923 ( 0.000 0.000 0.000) 0.000 1.949 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.694 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 -0.000) 0.000 2.769 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 3.078 ( 0.000 0.000 0.000) 0.000 3.148 ( 0.000 0.000 -0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.311 ( 0.000 0.000 0.000) 0.000 3.633 ( 0.000 0.000 0.000) 0.000 3.649 ( -0.000 0.000 0.000) 0.000 3.672 ( 0.000 0.000 -0.000) 0.000 3.786 ( 0.000 0.000 -0.000) 0.000 3.834 ( 0.000 0.000 0.000) 0.000 4.097 ( 0.000 0.000 -0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.193 ( -0.000 0.000 -0.000) 0.000 4.411 ( 0.000 0.000 -0.000) 0.000 4.469 ( -0.000 0.000 0.000) 0.000 4.904 ( 0.000 0.000 0.000) 0.000 5.061 ( 0.000 0.000 0.000) 0.000 5.288 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.360 ( 0.000 0.000 -0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.637 ( 0.000 0.000 0.000) 0.000 5.694 ( 0.000 0.000 0.000) 0.000 5.776 ( 0.000 0.000 0.000) 0.000 5.855 ( -0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.158 ( 0.000 0.000 0.000) 0.000 6.187 ( 0.000 0.000 0.000) 0.000 6.238 ( 0.000 0.000 0.000) 0.000 6.431 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.648 ( 0.000 0.000 -0.000) 0.000 6.846 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.256 ( 0.000 0.000 -0.000) 0.000 7.418 ( 0.000 0.000 0.000) 0.000 7.437 ( 0.000 0.000 0.000) 0.000 7.700 ( 0.000 0.000 0.000) 0.000 7.709 ( 0.000 0.000 0.000) 0.000 7.790 ( 0.000 0.000 -0.000) 0.000 8.468 ( 0.000 0.000 -0.000) 0.000 10.870 ( 0.000 0.000 0.000) 0.000 11.010 ( 0.000 0.000 -0.000) 0.000 11.161 ( 0.000 0.000 0.000) 0.000 11.300 ( 0.000 0.000 0.000) 0.000 11.631 ( 0.000 0.000 -0.000) 0.000 11.718 ( 0.000 0.000 -0.000) 0.000 11.859 ( 0.000 0.000 0.000) 0.000 12.003 ( 0.000 0.000 0.000) 0.000 12.702 ( 0.000 0.000 0.000) 0.000 12.848 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.297 ( 0.000 0.000 0.000) 0.000 20.462 ( 0.000 0.000 0.000) 0.000 20.610 ( 0.000 0.000 0.000) 0.000 20.763 ( 0.000 0.000 -0.000) 0.000 20.840 ( 0.000 0.000 0.000) 0.000 21.204 ( 0.000 0.000 -0.000) 0.000 21.255 ( 0.000 0.000 -0.000) 0.000 21.501 ( 0.000 0.000 0.000) 0.000 21.792 ( 0.000 0.000 0.000) 0.000 22.703 ( 0.000 0.000 0.000) 0.000 22.781 ( 0.000 0.000 0.000) 0.000 23.313 ( 0.000 0.000 0.000) 0.000 23.538 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/108) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.000 24.512 0.000) 24.512 0.558 ( 0.000 27.912 0.000) 27.912 0.932 ( 0.000 44.809 0.000) 44.809 1.828 ( 0.000 -8.711 0.000) 8.711 2.093 ( 0.000 -16.785 0.000) 16.785 2.361 ( 0.000 2.158 0.000) 2.158 2.777 ( 0.000 -7.016 0.000) 7.016 2.812 ( 0.000 10.206 0.000) 10.206 2.981 ( 0.000 -4.549 0.000) 4.549 2.983 ( 0.000 7.652 0.000) 7.652 3.181 ( 0.000 1.113 0.000) 1.113 3.609 ( 0.000 -6.724 0.000) 6.724 3.678 ( 0.000 -7.003 0.000) 7.003 3.791 ( 0.000 -0.393 0.000) 0.393 4.279 ( 0.000 0.952 0.000) 0.952 4.346 ( 0.000 -0.978 0.000) 0.978 4.406 ( 0.000 4.993 0.000) 4.993 4.412 ( 0.000 3.815 0.000) 3.815 4.459 ( 0.000 1.862 0.000) 1.862 4.740 ( 0.000 -6.521 0.000) 6.521 4.878 ( 0.000 5.866 0.000) 5.866 4.893 ( 0.000 -2.634 0.000) 2.634 5.002 ( 0.000 2.673 0.000) 2.673 5.094 ( 0.000 -3.290 0.000) 3.290 5.137 ( 0.000 2.816 0.000) 2.816 5.172 ( 0.000 -0.336 0.000) 0.336 5.235 ( 0.000 3.675 0.000) 3.675 5.400 ( 0.000 -2.674 0.000) 2.674 5.642 ( 0.000 -10.998 0.000) 10.998 5.676 ( 0.000 -11.521 0.000) 11.521 5.816 ( 0.000 7.475 0.000) 7.475 6.028 ( 0.000 1.653 0.000) 1.653 6.117 ( 0.000 1.531 0.000) 1.531 6.164 ( 0.000 7.323 0.000) 7.323 6.189 ( 0.000 5.315 0.000) 5.315 6.479 ( 0.000 -5.031 0.000) 5.031 6.498 ( 0.000 2.657 0.000) 2.657 6.645 ( 0.000 -2.201 0.000) 2.201 6.713 ( 0.000 -2.237 0.000) 2.237 6.724 ( 0.000 -4.524 0.000) 4.524 7.266 ( 0.000 1.504 0.000) 1.504 7.301 ( 0.000 1.890 0.000) 1.890 7.540 ( 0.000 0.052 0.000) 0.052 7.607 ( 0.000 -2.724 0.000) 2.724 7.824 ( 0.000 3.917 0.000) 3.917 7.979 ( 0.000 2.015 0.000) 2.015 8.070 ( 0.000 -2.298 0.000) 2.298 8.099 ( 0.000 -0.858 0.000) 0.858 10.812 ( 0.000 2.478 0.000) 2.478 11.087 ( 0.000 -2.269 0.000) 2.269 11.177 ( 0.000 -2.751 0.000) 2.751 11.191 ( 0.000 -0.466 0.000) 0.466 11.542 ( 0.000 4.207 0.000) 4.207 11.723 ( 0.000 -1.061 0.000) 1.061 11.729 ( 0.000 0.500 0.000) 0.500 11.782 ( 0.000 -0.690 0.000) 0.690 12.545 ( 0.000 2.088 0.000) 2.088 12.750 ( 0.000 -2.982 0.000) 2.982 13.042 ( 0.000 2.406 0.000) 2.406 13.200 ( 0.000 -1.568 0.000) 1.568 20.322 ( 0.000 0.942 0.000) 0.942 20.431 ( 0.000 -0.935 0.000) 0.935 20.642 ( 0.000 2.123 0.000) 2.123 20.802 ( 0.000 5.857 0.000) 5.857 21.043 ( 0.000 -5.003 0.000) 5.003 21.139 ( 0.000 -3.394 0.000) 3.394 22.392 ( 0.000 1.219 0.000) 1.219 22.439 ( 0.000 -0.135 0.000) 0.135 22.656 ( 0.000 -0.167 0.000) 0.167 22.690 ( 0.000 -1.500 0.000) 1.500 22.928 ( 0.000 2.346 0.000) 2.346 23.066 ( 0.000 -1.225 0.000) 1.225 ======================= Grid point 12 (8/108) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 14.460 17.335 1.625) 22.633 0.726 ( 17.626 16.108 -8.636) 25.391 1.281 ( 26.756 32.433 -2.395) 42.113 1.851 ( 3.179 -9.354 -1.054) 9.936 2.108 ( 1.932 -18.396 -0.860) 18.517 2.374 ( 1.545 4.227 0.217) 4.506 2.789 ( 2.220 1.575 -3.683) 4.579 2.884 ( 5.340 2.352 0.059) 5.836 2.919 ( -2.472 5.037 3.824) 6.790 3.024 ( 3.384 -2.010 -0.805) 4.017 3.180 ( -0.450 0.389 2.810) 2.872 3.575 ( -3.227 -3.795 0.771) 5.040 3.673 ( 0.335 -8.453 1.135) 8.535 3.733 ( -2.067 -4.594 -2.240) 5.513 4.136 ( -5.780 8.575 4.802) 11.402 4.210 ( -6.202 4.555 2.359) 8.048 4.381 ( -3.191 1.566 -0.470) 3.586 4.429 ( -4.031 6.128 -2.864) 7.874 4.547 ( 2.335 -2.975 -0.421) 3.805 4.643 ( -4.503 2.233 4.818) 6.962 4.734 ( -5.979 -7.063 -2.875) 9.690 4.897 ( -9.497 -2.067 5.889) 11.364 5.002 ( -1.748 -4.847 1.708) 5.428 5.051 ( 0.883 2.047 -4.197) 4.752 5.153 ( 3.765 1.840 -3.110) 5.219 5.232 ( 0.638 0.083 0.983) 1.175 5.339 ( 8.026 1.301 -6.604) 10.475 5.499 ( 6.114 -2.666 -5.524) 8.660 5.540 ( -2.673 -6.850 2.424) 7.742 5.836 ( 1.109 7.035 -0.274) 7.127 5.897 ( 3.287 -0.921 1.156) 3.604 5.952 ( -5.260 1.091 -2.918) 6.113 6.048 ( -4.704 4.396 -0.450) 6.454 6.115 ( 1.183 -0.568 1.589) 2.061 6.200 ( 6.625 0.155 2.589) 7.115 6.431 ( -0.959 -0.351 3.292) 3.447 6.602 ( -0.804 -2.133 -0.014) 2.279 6.641 ( -0.606 -1.372 0.005) 1.500 6.676 ( -3.383 -0.749 0.696) 3.535 6.764 ( 1.644 -1.622 11.273) 11.507 7.208 ( -2.315 -0.531 -2.660) 3.566 7.315 ( -0.332 -1.902 1.071) 2.208 7.525 ( -1.342 0.641 0.042) 1.488 7.611 ( 0.360 -2.389 -3.776) 4.483 7.826 ( -1.903 4.574 7.455) 8.950 7.910 ( -5.724 1.086 0.471) 5.846 8.012 ( -5.611 0.238 -10.481) 11.891 8.138 ( 5.357 -5.304 -2.501) 7.943 10.839 ( 1.695 -2.209 -2.364) 3.653 11.014 ( -5.439 -3.430 2.529) 6.909 11.126 ( -0.241 2.192 -0.406) 2.242 11.318 ( 5.975 -4.186 -1.480) 7.444 11.534 ( -8.317 13.202 -7.840) 17.462 11.571 ( 2.702 4.679 -0.947) 5.485 11.757 ( 3.047 -0.994 -0.007) 3.205 11.788 ( 0.284 -0.621 -1.821) 1.945 12.638 ( 4.434 -2.162 8.555) 9.875 12.758 ( -0.116 -2.859 13.826) 14.119 13.069 ( 2.360 2.086 1.612) 3.538 13.215 ( 1.337 -1.494 -1.054) 2.265 20.333 ( 0.783 -0.285 0.587) 1.020 20.461 ( 2.522 -1.440 1.674) 3.352 20.687 ( 2.686 1.107 0.542) 2.956 20.820 ( 1.672 6.173 1.259) 6.518 21.041 ( -0.099 -4.982 -4.699) 6.849 21.156 ( 2.185 -2.913 0.998) 3.775 21.829 ( -23.099 26.999 -28.563) 45.588 22.378 ( -5.814 -1.308 -5.166) 7.887 22.653 ( -1.289 -0.949 0.027) 1.600 22.659 ( -0.149 -1.534 -1.611) 2.230 22.996 ( 5.499 2.967 -0.158) 6.251 23.328 ( 8.542 -9.253 -6.343) 14.100 ======================= Grid point 13 (9/108) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 19.530 7.840 2.162) 21.156 1.160 ( 22.605 5.589 -7.613) 24.499 1.852 ( 25.115 17.975 -3.983) 31.141 1.977 ( 10.173 -10.586 -0.922) 14.711 2.193 ( 7.211 -16.238 -2.832) 17.991 2.431 ( 4.064 6.905 0.014) 8.012 2.867 ( 5.008 6.675 -3.177) 8.929 2.885 ( -0.683 1.797 4.620) 5.004 3.027 ( 7.241 -0.072 -2.907) 7.803 3.097 ( 2.972 -0.105 0.473) 3.011 3.156 ( -1.569 0.133 6.438) 6.627 3.529 ( -0.092 -4.954 -0.088) 4.956 3.692 ( 1.264 -4.371 -0.927) 4.643 3.743 ( 2.526 -11.091 1.058) 11.424 4.041 ( -4.111 3.978 4.731) 7.423 4.118 ( -3.872 8.269 1.200) 9.209 4.216 ( -12.557 6.290 2.648) 14.292 4.295 ( -4.671 0.309 -0.866) 4.761 4.517 ( -4.797 -3.521 0.513) 5.973 4.555 ( -8.919 -3.045 -6.451) 11.421 4.684 ( -0.972 -1.846 -1.876) 2.806 4.706 ( -5.378 -3.244 1.688) 6.504 4.889 ( -6.238 -1.077 1.846) 6.594 5.106 ( 2.427 -0.864 -2.497) 3.588 5.204 ( 0.054 -1.211 -0.246) 1.237 5.234 ( 1.080 -0.487 3.477) 3.673 5.471 ( 2.411 6.690 -6.182) 9.422 5.496 ( -1.499 -1.958 3.788) 4.520 5.621 ( 5.912 -3.209 -5.164) 8.480 5.736 ( -6.781 8.001 -3.057) 10.925 5.834 ( -0.985 4.887 -0.772) 5.045 5.929 ( 0.039 -1.704 0.757) 1.865 6.087 ( 4.254 2.736 0.084) 5.059 6.202 ( 3.105 -7.037 2.369) 8.048 6.327 ( -0.955 0.557 2.853) 3.060 6.369 ( 0.602 -4.544 1.936) 4.976 6.547 ( -5.638 -0.007 -3.410) 6.589 6.585 ( -1.682 1.495 -0.188) 2.258 6.607 ( -3.880 1.170 -0.090) 4.054 6.757 ( -1.011 4.814 8.297) 9.646 7.177 ( -1.824 -1.865 1.399) 2.960 7.289 ( -1.496 -6.703 -0.206) 6.871 7.516 ( 0.965 1.913 -0.619) 2.230 7.611 ( -0.717 -0.404 -5.857) 5.914 7.713 ( -7.185 0.961 4.623) 8.597 7.794 ( -5.980 -0.038 3.000) 6.690 7.929 ( -2.081 2.666 -4.752) 5.833 8.248 ( 4.903 -6.304 -0.559) 8.006 10.862 ( 0.452 -5.138 -1.522) 5.377 10.922 ( -3.112 -3.219 2.003) 4.905 11.134 ( 0.887 2.969 -0.772) 3.193 11.415 ( 3.283 -4.771 -0.757) 5.841 11.451 ( -0.678 12.057 -3.662) 12.619 11.647 ( 4.309 5.234 -0.913) 6.841 11.797 ( 0.759 -0.946 -2.133) 2.454 11.836 ( 4.254 -0.833 -0.828) 4.413 12.710 ( 2.378 -1.809 7.018) 7.627 12.751 ( -0.202 -1.149 6.545) 6.648 13.125 ( 2.723 1.646 1.595) 3.559 13.247 ( 1.564 -1.330 -1.629) 2.621 20.353 ( 1.135 -1.233 0.724) 1.826 20.521 ( 2.859 -2.917 3.671) 5.492 20.717 ( 0.519 3.694 1.160) 3.907 20.860 ( 1.741 6.468 3.147) 7.401 21.056 ( 1.947 -4.303 -8.549) 9.767 21.233 ( 4.861 -3.093 3.047) 6.518 21.545 ( -7.465 17.392 -20.142) 27.639 22.214 ( -9.527 -3.434 -6.956) 12.286 22.639 ( 0.231 -0.539 -0.686) 0.902 22.671 ( 1.232 -1.428 0.191) 1.896 23.119 ( 6.061 3.322 -0.377) 6.922 23.432 ( 3.185 -4.968 -4.870) 7.651 ======================= Grid point 14 (10/108) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 18.714 3.272 1.940) 19.096 1.595 ( 18.917 3.767 -4.982) 19.921 2.132 ( 9.264 -7.095 -2.992) 12.046 2.289 ( 12.560 -12.243 -1.575) 17.611 2.485 ( 18.600 4.555 -5.711) 19.983 2.538 ( 6.954 6.095 -0.624) 9.268 2.871 ( -0.690 2.231 3.098) 3.879 2.969 ( 3.857 8.118 -0.585) 9.006 3.097 ( -1.264 -1.179 10.214) 10.359 3.150 ( 4.655 0.895 -2.428) 5.325 3.209 ( 6.076 4.015 -0.179) 7.285 3.568 ( 3.135 -5.899 -1.535) 6.854 3.709 ( -0.097 -5.943 1.102) 6.045 3.810 ( 2.846 -4.316 0.699) 5.217 3.929 ( -9.349 2.521 3.054) 10.153 3.995 ( -4.887 2.207 1.844) 5.670 4.043 ( -4.162 4.324 -1.631) 6.219 4.211 ( -4.251 -1.118 -0.480) 4.422 4.337 ( -9.993 -3.220 0.004) 10.499 4.387 ( -6.149 1.407 -1.015) 6.389 4.533 ( -10.378 -10.549 -1.646) 14.889 4.647 ( -3.227 2.121 -3.462) 5.186 4.878 ( 2.885 6.072 0.480) 6.739 5.113 ( 0.291 -1.146 1.206) 1.689 5.169 ( -3.345 -1.842 -0.027) 3.819 5.274 ( 1.167 -2.484 0.552) 2.800 5.448 ( -1.822 5.848 -1.426) 6.289 5.486 ( 0.121 0.426 3.022) 3.054 5.630 ( -0.347 -0.574 -1.110) 1.297 5.747 ( 0.372 3.947 -1.854) 4.376 5.845 ( 3.500 1.624 -3.878) 5.471 5.969 ( 2.633 -4.546 0.799) 5.314 6.135 ( -1.151 2.301 2.508) 3.593 6.168 ( -8.575 -3.074 -1.447) 9.224 6.238 ( 2.702 -1.736 2.049) 3.810 6.360 ( -11.015 2.081 -3.573) 11.765 6.433 ( -0.344 0.452 3.629) 3.673 6.515 ( -1.684 4.746 -0.856) 5.108 6.637 ( 2.262 -1.469 -2.590) 3.739 6.756 ( 1.729 3.474 4.532) 5.966 7.118 ( -3.127 -1.946 0.421) 3.707 7.271 ( -0.945 -6.034 1.743) 6.352 7.532 ( -2.325 1.687 -1.234) 3.126 7.570 ( -1.108 1.528 -2.816) 3.390 7.603 ( -2.728 -1.507 4.458) 5.439 7.690 ( -3.337 -4.039 -0.981) 5.330 7.907 ( -0.225 6.228 -0.435) 6.247 8.334 ( 3.504 -6.027 0.311) 6.979 10.854 ( -0.834 -3.528 0.668) 3.687 10.891 ( -0.326 -5.803 -0.214) 5.816 11.157 ( 1.220 2.989 -0.610) 3.285 11.439 ( 0.456 7.882 -1.300) 8.001 11.485 ( 2.269 -2.412 -0.784) 3.403 11.733 ( 3.857 5.615 -0.563) 6.835 11.817 ( 1.189 -1.078 -1.892) 2.481 11.920 ( 3.698 -0.601 -0.705) 3.812 12.720 ( -0.562 -0.262 5.894) 5.927 12.780 ( 2.010 -1.692 1.209) 2.892 13.175 ( 2.010 1.310 0.875) 2.554 13.273 ( 0.949 -1.122 -1.464) 2.074 20.380 ( 1.492 -1.864 0.917) 2.558 20.560 ( 0.491 -6.023 3.692) 7.081 20.739 ( 2.261 7.052 -0.457) 7.420 20.887 ( 0.921 6.129 3.922) 7.335 21.111 ( 3.192 -2.336 -7.093) 8.121 21.338 ( 4.726 -3.264 1.881) 6.044 21.433 ( -3.802 10.166 -9.632) 14.511 22.007 ( -9.946 -4.409 -6.242) 12.543 22.659 ( 1.475 -0.065 -0.851) 1.704 22.707 ( 2.111 -1.359 -0.188) 2.518 23.233 ( 4.856 3.094 -0.353) 5.769 23.481 ( 1.912 -2.925 -2.840) 4.503 ======================= Grid point 15 (11/108) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( 13.648 1.185 1.762) 13.813 1.903 ( 10.278 4.721 -2.798) 11.652 2.294 ( 6.084 -9.995 -2.276) 11.920 2.532 ( 10.869 -8.433 -4.132) 14.364 2.637 ( 4.194 6.070 0.546) 7.398 2.764 ( 3.143 0.021 -1.557) 3.508 2.896 ( 4.246 2.678 -4.142) 6.508 3.020 ( 2.354 3.224 4.588) 6.082 3.080 ( -1.322 0.482 9.523) 9.626 3.261 ( 6.079 4.615 -3.163) 8.262 3.346 ( 6.836 6.345 1.304) 9.418 3.609 ( -0.798 -6.971 0.869) 7.070 3.692 ( -1.932 1.048 -1.067) 2.443 3.747 ( -3.161 2.033 -0.861) 3.855 3.820 ( -4.479 1.013 0.447) 4.614 3.900 ( -3.303 1.193 -0.779) 3.597 4.018 ( -0.068 -6.056 -0.755) 6.103 4.086 ( -6.513 -6.533 1.914) 9.422 4.162 ( -5.352 -2.031 0.928) 5.799 4.312 ( -8.199 -5.100 -1.993) 9.859 4.375 ( 2.243 4.884 -0.279) 5.382 4.592 ( -2.421 2.340 -2.193) 4.019 4.884 ( -1.922 0.849 -0.508) 2.161 5.090 ( -3.315 -1.487 -0.417) 3.657 5.184 ( 5.580 0.533 1.059) 5.704 5.288 ( 0.609 -1.985 0.251) 2.092 5.412 ( -1.656 2.198 0.626) 2.822 5.510 ( 2.199 -1.141 2.306) 3.385 5.648 ( 0.175 0.284 -0.251) 0.418 5.719 ( -0.816 3.913 0.707) 4.059 5.882 ( -1.416 0.994 -2.328) 2.900 5.988 ( -2.154 0.784 1.275) 2.622 6.003 ( -5.155 -0.694 -2.195) 5.645 6.134 ( -5.082 0.180 -1.960) 5.450 6.164 ( 0.635 1.011 0.717) 1.393 6.270 ( -0.958 1.180 1.251) 1.968 6.429 ( 1.872 2.453 -0.223) 3.094 6.501 ( -1.354 3.204 -0.268) 3.488 6.629 ( -1.477 -3.316 -0.648) 3.687 6.831 ( 3.707 2.422 1.623) 4.716 7.080 ( -0.293 -3.839 -1.347) 4.079 7.233 ( -2.608 -4.859 2.470) 6.043 7.478 ( -1.692 2.240 -0.258) 2.819 7.498 ( -3.475 1.250 0.970) 3.818 7.621 ( 0.250 -3.691 -0.050) 3.700 7.658 ( 0.625 -3.077 -0.516) 3.182 7.911 ( 0.357 7.805 -0.095) 7.814 8.390 ( 1.845 -5.704 0.278) 6.002 10.843 ( -0.273 -2.717 0.601) 2.796 10.889 ( -0.055 -7.070 -0.361) 7.080 11.179 ( 0.859 2.746 -0.329) 2.896 11.447 ( 0.270 7.591 -0.503) 7.612 11.522 ( 1.229 -2.970 -0.366) 3.235 11.797 ( 2.210 5.944 -0.218) 6.345 11.840 ( 0.908 -1.090 -1.079) 1.782 11.981 ( 2.075 -0.324 -0.398) 2.137 12.711 ( -0.352 0.435 2.328) 2.394 12.812 ( 1.057 -2.101 0.670) 2.445 13.206 ( 1.001 1.067 0.372) 1.510 13.285 ( 0.311 -0.932 -0.822) 1.281 20.411 ( 1.341 -2.208 0.900) 2.736 20.550 ( -1.082 -6.050 1.497) 6.325 20.803 ( 3.298 7.046 -1.744) 7.973 20.902 ( 0.380 5.172 4.701) 7.000 21.169 ( 2.310 -0.530 -4.157) 4.785 21.356 ( -2.235 6.586 -6.783) 9.715 21.430 ( 2.648 -3.348 3.856) 5.753 21.826 ( -6.895 -4.381 -3.784) 9.003 22.690 ( 1.360 0.187 -0.588) 1.494 22.749 ( 1.661 -1.311 -0.310) 2.138 23.312 ( 2.704 2.724 -0.195) 3.843 23.511 ( 0.986 -1.989 -1.273) 2.559 ======================= Grid point 16 (12/108) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 0.000 0.653 0.000) 0.653 2.000 ( 0.000 5.055 -0.000) 5.055 2.361 ( 0.000 -11.199 0.000) 11.199 2.670 ( 0.000 10.197 -0.000) 10.197 2.677 ( 0.000 -10.666 0.000) 10.666 2.770 ( 0.000 1.036 0.000) 1.036 2.937 ( 0.000 6.003 0.000) 6.003 3.055 ( 0.000 -1.566 0.000) 1.566 3.060 ( 0.000 -1.921 -0.000) 1.921 3.351 ( 0.000 4.713 0.000) 4.713 3.425 ( 0.000 7.762 0.000) 7.762 3.602 ( 0.000 -3.767 0.000) 3.767 3.661 ( -0.000 0.748 0.000) 0.748 3.678 ( 0.000 2.314 0.000) 2.314 3.804 ( 0.000 1.964 0.000) 1.964 3.850 ( 0.000 -0.059 0.000) 0.059 3.997 ( 0.000 -7.818 -0.000) 7.818 4.009 ( 0.000 -5.604 0.000) 5.604 4.150 ( 0.000 -3.593 0.000) 3.593 4.194 ( 0.000 -3.667 0.000) 3.667 4.432 ( 0.000 3.391 0.000) 3.391 4.551 ( 0.000 5.369 0.000) 5.369 4.856 ( 0.000 -3.175 0.000) 3.175 5.055 ( 0.000 -1.170 0.000) 1.170 5.268 ( 0.000 0.387 -0.000) 0.387 5.281 ( -0.000 -5.952 0.000) 5.952 5.395 ( 0.000 4.607 0.000) 4.607 5.564 ( 0.000 1.625 0.000) 1.625 5.607 ( 0.000 0.304 0.000) 0.304 5.768 ( 0.000 -1.707 0.000) 1.707 5.797 ( 0.000 6.961 0.000) 6.961 5.944 ( 0.000 3.788 0.000) 3.788 5.949 ( 0.000 0.535 -0.000) 0.535 6.084 ( 0.000 -0.811 0.000) 0.811 6.215 ( 0.000 -1.192 0.000) 1.192 6.243 ( 0.000 0.980 -0.000) 0.980 6.461 ( 0.000 1.974 0.000) 1.974 6.474 ( 0.000 3.938 0.000) 3.938 6.612 ( 0.000 -3.335 -0.000) 3.335 6.871 ( 0.000 1.504 0.000) 1.504 7.087 ( 0.000 -5.208 0.000) 5.208 7.195 ( 0.000 -4.396 -0.000) 4.396 7.461 ( 0.000 1.423 0.000) 1.423 7.461 ( 0.000 2.681 -0.000) 2.681 7.615 ( 0.000 -3.933 0.000) 3.933 7.675 ( 0.000 -3.016 0.000) 3.016 7.915 ( 0.000 8.264 -0.000) 8.264 8.409 ( 0.000 -5.579 -0.000) 5.579 10.841 ( 0.000 -2.562 0.000) 2.562 10.888 ( 0.000 -7.374 0.000) 7.374 11.189 ( 0.000 2.625 0.000) 2.625 11.450 ( 0.000 7.234 0.000) 7.234 11.534 ( 0.000 -2.867 0.000) 2.867 11.820 ( 0.000 6.083 -0.000) 6.083 11.850 ( 0.000 -1.088 0.000) 1.088 12.002 ( 0.000 -0.196 0.000) 0.196 12.707 ( 0.000 0.623 0.000) 0.623 12.823 ( 0.000 -2.236 -0.000) 2.236 13.216 ( 0.000 0.974 0.000) 0.974 13.288 ( 0.000 -0.853 0.000) 0.853 20.427 ( 0.000 -2.338 0.000) 2.338 20.535 ( 0.000 -5.481 0.000) 5.481 20.843 ( 0.000 6.584 -0.000) 6.584 20.905 ( 0.000 4.555 0.000) 4.555 21.194 ( 0.000 0.250 -0.000) 0.250 21.329 ( 0.000 6.048 -0.000) 6.048 21.459 ( 0.000 -3.996 0.000) 3.996 21.749 ( 0.000 -4.219 0.000) 4.219 22.705 ( 0.000 0.261 0.000) 0.261 22.767 ( 0.000 -1.289 0.000) 1.289 23.341 ( 0.000 2.558 0.000) 2.558 23.521 ( 0.000 -1.705 0.000) 1.705 ======================= Grid point 22 (13/108) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( 0.000 24.398 0.000) 24.398 1.114 ( 0.000 27.514 0.000) 27.514 1.443 ( 0.000 -19.446 0.000) 19.446 1.637 ( 0.000 -21.086 0.000) 21.086 1.819 ( 0.000 30.846 0.000) 30.846 2.446 ( 0.000 -25.622 0.000) 25.622 2.664 ( 0.000 21.268 0.000) 21.268 2.922 ( 0.000 -2.964 0.000) 2.964 2.954 ( 0.000 4.789 0.000) 4.789 3.132 ( 0.000 7.042 0.000) 7.042 3.136 ( 0.000 -9.114 0.000) 9.114 3.303 ( 0.000 -14.579 0.000) 14.579 3.686 ( 0.000 3.510 0.000) 3.510 3.759 ( 0.000 -2.936 0.000) 2.936 4.302 ( 0.000 1.080 0.000) 1.080 4.322 ( 0.000 -1.092 0.000) 1.092 4.492 ( 0.000 3.328 0.000) 3.328 4.506 ( 0.000 2.853 0.000) 2.853 4.520 ( 0.000 4.179 0.000) 4.179 4.619 ( 0.000 -5.514 0.000) 5.514 4.888 ( 0.000 3.380 0.000) 3.380 4.993 ( 0.000 -3.340 0.000) 3.340 5.049 ( 0.000 2.541 0.000) 2.541 5.057 ( 0.000 6.858 0.000) 6.858 5.128 ( 0.000 -2.956 0.000) 2.956 5.200 ( 0.000 1.051 0.000) 1.051 5.278 ( 0.000 0.093 0.000) 0.093 5.333 ( 0.000 -3.945 0.000) 3.945 5.436 ( 0.000 -5.811 0.000) 5.811 5.471 ( 0.000 -7.202 0.000) 7.202 5.998 ( 0.000 8.451 0.000) 8.451 6.063 ( 0.000 0.956 0.000) 0.956 6.145 ( 0.000 2.115 0.000) 2.115 6.229 ( 0.000 -3.032 0.000) 3.032 6.297 ( 0.000 5.191 0.000) 5.191 6.371 ( 0.000 -3.865 0.000) 3.865 6.561 ( 0.000 2.947 0.000) 2.947 6.596 ( 0.000 -2.021 0.000) 2.021 6.638 ( 0.000 -2.727 0.000) 2.727 6.658 ( 0.000 -3.014 0.000) 3.014 7.300 ( 0.000 1.737 0.000) 1.737 7.322 ( 0.000 -0.108 0.000) 0.108 7.544 ( 0.000 0.408 0.000) 0.408 7.561 ( 0.000 -1.551 0.000) 1.551 7.914 ( 0.000 4.780 0.000) 4.780 8.005 ( 0.000 -4.101 0.000) 4.101 8.027 ( 0.000 2.524 0.000) 2.524 8.072 ( 0.000 -1.855 0.000) 1.855 10.885 ( 0.000 4.744 0.000) 4.744 10.995 ( 0.000 -5.815 0.000) 5.815 11.162 ( 0.000 0.529 0.000) 0.529 11.178 ( 0.000 -0.797 0.000) 0.797 11.626 ( 0.000 3.840 0.000) 3.840 11.689 ( 0.000 -2.390 0.000) 2.390 11.743 ( 0.000 0.916 0.000) 0.916 11.764 ( 0.000 -1.056 0.000) 1.056 12.602 ( 0.000 3.514 0.000) 3.514 12.679 ( 0.000 -3.917 0.000) 3.917 13.099 ( 0.000 3.026 0.000) 3.026 13.157 ( 0.000 -2.661 0.000) 2.661 20.350 ( 0.000 1.852 0.000) 1.852 20.394 ( 0.000 -2.336 0.000) 2.336 20.744 ( 0.000 7.396 0.000) 7.396 20.907 ( 0.000 -8.120 0.000) 8.120 20.928 ( 0.000 6.424 0.000) 6.424 21.049 ( 0.000 -5.442 0.000) 5.442 22.418 ( 0.000 1.136 0.000) 1.136 22.434 ( 0.000 -0.489 0.000) 0.489 22.654 ( 0.000 0.065 0.000) 0.065 22.663 ( 0.000 -0.933 0.000) 0.933 22.981 ( 0.000 2.740 0.000) 2.740 23.031 ( 0.000 -2.214 0.000) 2.214 ======================= Grid point 23 (14/108) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 7.311 20.742 -2.924) 22.186 1.137 ( 3.955 22.315 -2.897) 22.847 1.506 ( 5.905 -18.250 -1.982) 19.284 1.648 ( 2.045 -22.161 -0.246) 22.256 1.987 ( 14.815 30.011 -2.083) 33.533 2.534 ( 7.597 -21.446 -1.711) 22.816 2.695 ( 3.162 20.838 -0.447) 21.081 2.963 ( 3.172 -2.260 1.366) 4.128 2.979 ( 1.855 3.501 -0.757) 4.034 3.065 ( -2.438 2.401 4.848) 5.934 3.154 ( -0.219 -2.022 1.007) 2.270 3.313 ( 0.967 -16.566 -0.634) 16.606 3.619 ( -4.636 2.450 0.024) 5.244 3.679 ( -5.201 -2.732 -0.385) 5.888 4.256 ( -3.947 4.611 3.403) 6.958 4.300 ( -1.397 1.586 2.811) 3.517 4.413 ( -5.848 2.950 1.526) 6.725 4.488 ( -1.405 -2.969 -1.837) 3.763 4.534 ( -2.302 2.329 -3.619) 4.881 4.582 ( -2.660 -4.134 -2.960) 5.739 4.737 ( -11.262 4.781 4.477) 13.028 4.839 ( -12.074 -4.329 6.173) 14.235 4.987 ( -1.900 3.811 1.796) 4.621 5.069 ( 1.408 -1.505 0.190) 2.069 5.176 ( 1.715 0.371 -2.669) 3.195 5.200 ( 0.879 -2.753 -2.289) 3.687 5.387 ( 8.397 1.616 -4.809) 9.811 5.418 ( 3.333 -3.191 0.287) 4.623 5.504 ( 7.882 4.412 -3.627) 9.734 5.681 ( 13.109 -12.011 -1.920) 17.882 5.962 ( -3.824 4.541 -0.172) 5.939 6.001 ( -6.149 0.638 -0.403) 6.195 6.136 ( -2.346 3.549 -4.594) 6.261 6.168 ( -2.962 1.420 -3.660) 4.918 6.265 ( 1.549 5.531 5.446) 7.915 6.381 ( -3.156 -4.830 4.897) 7.567 6.577 ( 1.804 0.423 -1.417) 2.333 6.616 ( 0.563 -1.771 -0.063) 1.859 6.659 ( 0.258 -0.634 1.687) 1.821 6.681 ( 3.814 -3.582 6.605) 8.427 7.244 ( -4.662 2.807 -1.842) 5.745 7.290 ( -3.280 -1.557 -0.128) 3.633 7.537 ( -0.211 0.818 -2.118) 2.281 7.564 ( 0.420 -1.939 -2.423) 3.131 7.915 ( -2.338 3.940 6.788) 8.190 7.941 ( -7.196 1.282 2.552) 7.742 8.007 ( -3.499 -0.291 -5.662) 6.662 8.045 ( 2.974 -4.066 -1.253) 5.191 10.857 ( -2.134 2.956 1.279) 3.863 10.934 ( -4.302 -4.269 2.234) 6.459 11.176 ( 1.598 2.835 -0.773) 3.345 11.239 ( 3.892 -3.535 -1.183) 5.390 11.657 ( 2.814 3.818 -1.122) 4.874 11.691 ( -2.300 3.615 -6.804) 8.040 11.728 ( 2.487 -1.371 1.968) 3.455 11.762 ( -0.195 -2.020 -1.810) 2.719 12.639 ( 2.723 1.858 4.827) 5.845 12.694 ( 1.140 -3.310 4.700) 5.861 13.120 ( 1.894 2.773 0.199) 3.364 13.174 ( 1.538 -2.502 -0.565) 2.991 20.358 ( 0.522 2.217 2.219) 3.180 20.411 ( 1.404 -2.956 2.488) 4.110 20.769 ( 2.123 6.322 -1.188) 6.774 20.907 ( 0.230 -5.749 0.787) 5.808 20.958 ( 2.700 4.971 -2.436) 6.159 21.073 ( 2.408 -5.232 0.876) 5.826 22.186 ( -16.607 10.878 -11.204) 22.796 22.328 ( -9.416 -4.188 -6.611) 12.244 22.633 ( -0.649 -0.693 -0.720) 1.192 22.634 ( -0.803 -0.707 0.074) 1.072 23.071 ( 6.675 4.432 -0.189) 8.015 23.175 ( 8.655 -6.132 -1.372) 10.696 ======================= Grid point 24 (15/108) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 12.175 13.771 -1.772) 18.467 1.324 ( 13.952 9.236 -6.980) 18.129 1.686 ( 11.435 -13.037 -2.407) 17.508 1.761 ( 9.189 -17.581 -0.535) 19.845 2.337 ( 17.217 21.261 -2.745) 27.496 2.686 ( 5.426 -4.172 0.415) 6.857 2.810 ( 8.253 9.686 -2.557) 12.980 2.955 ( -0.762 1.981 4.976) 5.410 3.062 ( 2.146 -0.542 2.248) 3.155 3.091 ( 4.414 1.145 2.213) 5.069 3.174 ( 3.915 0.930 1.043) 4.157 3.336 ( 1.263 -15.849 -1.467) 15.966 3.578 ( 1.288 -0.976 0.015) 1.616 3.619 ( 0.123 -3.231 -0.753) 3.320 4.150 ( -6.253 6.473 2.633) 9.378 4.249 ( -5.571 0.269 4.728) 7.311 4.277 ( -7.212 3.430 -1.566) 8.138 4.365 ( -10.266 4.291 3.215) 11.581 4.423 ( -6.068 -4.422 -1.657) 7.689 4.489 ( -7.967 -3.948 -0.063) 8.892 4.591 ( -8.094 -1.940 0.117) 8.324 4.637 ( -0.577 -4.140 -4.378) 6.053 4.972 ( 0.306 7.008 1.741) 7.227 5.095 ( 0.803 -3.061 -1.154) 3.368 5.179 ( -0.551 -0.994 1.672) 2.022 5.197 ( -1.452 -1.404 0.226) 2.033 5.497 ( 3.800 2.281 1.109) 4.568 5.559 ( 6.402 -3.198 -3.342) 7.898 5.630 ( 3.004 9.406 -4.551) 10.872 5.827 ( -2.851 -5.519 -1.258) 6.338 5.857 ( -4.130 0.085 -1.416) 4.366 5.883 ( -1.122 -1.602 -1.264) 2.329 6.093 ( 0.518 3.012 -2.150) 3.737 6.159 ( 0.971 -0.463 -2.980) 3.169 6.292 ( -3.972 -0.533 1.682) 4.346 6.330 ( 3.096 -2.364 1.978) 4.369 6.566 ( -4.592 1.607 -0.375) 4.880 6.592 ( -2.487 -0.722 -0.763) 2.700 6.672 ( 2.860 5.365 4.630) 7.642 6.778 ( 3.329 -3.416 9.937) 11.022 7.150 ( -3.419 0.686 -2.092) 4.066 7.197 ( -5.144 -3.188 -2.087) 6.402 7.543 ( 0.793 1.238 -1.891) 2.395 7.577 ( 0.651 -2.117 -3.193) 3.886 7.751 ( -9.333 2.154 2.332) 9.858 7.785 ( -8.523 -1.050 2.257) 8.879 8.006 ( 1.551 4.876 -1.046) 5.223 8.118 ( 3.783 -6.219 0.002) 7.279 10.818 ( -1.503 0.407 1.404) 2.097 10.857 ( -2.916 -2.992 2.236) 4.739 11.211 ( 1.606 4.471 -0.940) 4.843 11.308 ( 2.666 -5.183 -0.824) 5.886 11.653 ( -0.637 7.273 -4.101) 8.374 11.734 ( 3.677 2.046 -4.184) 5.934 11.765 ( 1.183 -1.259 0.633) 1.839 11.807 ( 4.346 -2.213 -0.672) 4.923 12.693 ( 2.186 0.303 5.050) 5.511 12.717 ( 1.013 -1.815 4.156) 4.647 13.166 ( 2.286 2.273 0.163) 3.228 13.211 ( 1.845 -2.145 -0.903) 2.969 20.368 ( 0.456 2.460 2.466) 3.513 20.438 ( 0.903 -4.274 3.844) 5.819 20.818 ( 2.535 5.632 -0.378) 6.188 20.922 ( 1.208 -3.465 0.534) 3.708 21.032 ( 4.313 4.789 -2.668) 6.976 21.146 ( 4.400 -5.409 1.940) 7.238 21.877 ( -12.475 14.289 -12.660) 22.805 22.100 ( -11.519 -8.179 -8.578) 16.528 22.632 ( 0.837 0.019 -0.613) 1.037 22.644 ( 1.187 -1.106 -0.052) 1.623 23.205 ( 6.028 5.102 -0.869) 7.945 23.317 ( 5.389 -5.933 -2.329) 8.347 ======================= Grid point 25 (16/108) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 14.818 8.000 -1.034) 16.871 1.650 ( 16.462 0.013 -6.579) 17.728 1.940 ( 12.270 -6.161 -1.699) 13.835 2.017 ( 14.798 -11.746 -1.495) 18.953 2.629 ( 10.359 9.053 -3.241) 14.134 2.758 ( 2.224 1.940 -1.030) 3.126 2.945 ( 3.596 9.559 1.849) 10.379 3.015 ( 5.946 0.279 3.031) 6.680 3.064 ( -0.202 0.725 9.000) 9.031 3.225 ( 7.320 2.064 0.653) 7.633 3.292 ( 6.756 2.344 -1.365) 7.280 3.370 ( 2.122 -12.590 -1.917) 12.911 3.638 ( 4.306 -0.079 -0.458) 4.331 3.699 ( 6.197 -5.245 -1.286) 8.220 4.001 ( -8.550 5.279 2.770) 10.423 4.070 ( -9.085 3.664 3.910) 10.547 4.114 ( -8.156 1.106 -3.540) 8.959 4.150 ( -11.300 -3.114 0.737) 11.745 4.263 ( -8.367 -2.873 0.777) 8.881 4.317 ( -8.372 -8.132 -1.506) 11.768 4.503 ( -0.817 7.392 -1.802) 7.652 4.635 ( -1.031 -4.249 -2.310) 4.945 4.997 ( 0.266 5.664 -0.012) 5.670 5.081 ( -1.826 -2.002 -0.945) 2.870 5.154 ( -1.442 -0.218 2.379) 2.791 5.186 ( 1.466 -4.201 3.969) 5.963 5.530 ( -0.893 3.542 -0.003) 3.653 5.574 ( -4.707 2.046 -2.641) 5.772 5.634 ( 1.767 5.008 -1.487) 5.515 5.814 ( -2.398 -3.965 -2.416) 5.226 5.826 ( 2.915 -2.369 -0.421) 3.780 5.864 ( 0.347 -1.120 -2.102) 2.407 6.121 ( 0.713 0.632 -0.898) 1.309 6.155 ( -0.884 -1.815 -1.465) 2.494 6.267 ( 0.596 4.299 -0.069) 4.341 6.352 ( -3.475 -3.322 -0.825) 4.878 6.455 ( -3.015 2.831 1.042) 4.265 6.523 ( -2.567 -3.225 -0.113) 4.123 6.720 ( -0.871 7.481 2.477) 7.929 6.807 ( 0.888 0.083 6.923) 6.981 7.086 ( -3.307 -0.403 -1.292) 3.573 7.139 ( 0.033 -5.763 -0.411) 5.778 7.555 ( -1.038 0.536 1.566) 1.954 7.571 ( -2.297 -1.351 3.307) 4.248 7.601 ( -3.373 1.467 -3.636) 5.172 7.632 ( -4.898 -1.857 -2.061) 5.629 8.041 ( 1.795 7.149 0.096) 7.372 8.191 ( 3.194 -7.679 0.186) 8.319 10.797 ( -0.693 -1.004 1.081) 1.630 10.815 ( -1.319 -2.493 1.612) 3.248 11.239 ( 1.113 4.954 -0.773) 5.136 11.349 ( 1.383 -5.934 -0.555) 6.119 11.656 ( 0.760 8.052 -2.561) 8.483 11.772 ( 1.204 -3.645 -2.896) 4.809 11.833 ( 3.959 4.037 0.091) 5.655 11.895 ( 3.970 -2.103 -0.621) 4.536 12.721 ( 0.546 0.509 3.799) 3.871 12.743 ( 1.340 -1.667 1.979) 2.914 13.207 ( 1.649 1.799 0.030) 2.441 13.243 ( 1.242 -1.744 -0.814) 2.291 20.379 ( 0.599 1.796 1.786) 2.603 20.447 ( -0.048 -4.805 3.189) 5.767 20.873 ( 2.818 5.669 0.848) 6.387 20.950 ( 1.344 -1.221 2.266) 2.903 21.124 ( 4.438 4.584 -3.261) 7.166 21.241 ( 4.501 -5.934 1.384) 7.575 21.664 ( -8.262 11.766 -8.903) 16.910 21.874 ( -9.974 -8.775 -7.227) 15.123 22.662 ( 1.849 0.459 -0.820) 2.074 22.679 ( 2.084 -1.262 -0.448) 2.477 23.312 ( 4.325 4.534 -0.848) 6.323 23.405 ( 3.309 -4.472 -1.762) 5.836 ======================= Grid point 26 (17/108) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 11.756 5.172 -0.457) 12.852 1.947 ( 11.444 -3.927 -3.835) 12.692 2.149 ( 7.010 1.507 -0.734) 7.208 2.304 ( 11.371 -11.173 -1.514) 16.013 2.759 ( 3.275 2.905 -3.577) 5.654 2.816 ( 4.249 -1.024 -5.185) 6.781 3.009 ( 1.864 11.803 4.141) 12.646 3.055 ( -0.850 0.639 8.186) 8.255 3.089 ( 1.052 3.520 4.676) 5.947 3.365 ( 4.006 -9.616 3.914) 11.128 3.405 ( 4.285 2.898 -3.705) 6.363 3.460 ( 7.515 -0.043 -1.325) 7.631 3.727 ( 1.445 2.329 -2.050) 3.423 3.772 ( -1.610 -0.951 0.523) 1.941 3.841 ( -4.444 2.411 0.560) 5.087 3.932 ( -4.823 0.550 0.064) 4.854 3.940 ( -5.319 -2.465 0.957) 5.940 3.970 ( -5.519 -2.124 -2.028) 6.252 4.114 ( -5.441 -1.815 -0.706) 5.779 4.159 ( -6.375 -6.852 -1.082) 9.422 4.508 ( 0.669 6.481 0.493) 6.534 4.603 ( -1.568 -2.340 -0.722) 2.908 4.929 ( -4.780 3.923 -0.623) 6.215 5.022 ( -3.192 -4.711 -1.334) 5.845 5.197 ( 3.143 0.084 1.745) 3.596 5.216 ( 0.932 -2.504 3.573) 4.462 5.511 ( -0.869 4.729 -1.442) 5.020 5.530 ( 2.304 1.921 0.629) 3.065 5.665 ( 0.602 2.319 -0.498) 2.447 5.745 ( -3.346 -2.389 -1.390) 4.340 5.865 ( 1.082 -1.220 0.091) 1.634 5.892 ( 1.164 -4.288 -2.407) 5.054 6.098 ( -3.112 5.787 -0.223) 6.574 6.159 ( 0.420 0.037 -1.236) 1.306 6.210 ( -4.235 2.742 -0.617) 5.083 6.261 ( -2.849 -1.942 0.715) 3.521 6.461 ( 2.019 1.541 -0.156) 2.544 6.519 ( 1.007 -3.748 0.312) 3.894 6.657 ( -3.520 8.278 0.213) 8.998 6.817 ( -0.426 -5.548 2.342) 6.037 7.053 ( -0.222 2.389 -0.449) 2.441 7.133 ( -1.014 -4.760 1.458) 5.081 7.500 ( -2.196 -0.147 2.840) 3.593 7.502 ( -2.534 -0.404 2.750) 3.761 7.587 ( -0.046 0.258 -3.137) 3.148 7.607 ( 0.453 -1.734 -2.543) 3.111 8.074 ( 1.229 8.421 0.022) 8.511 8.244 ( 1.824 -8.331 0.071) 8.529 10.789 ( -0.133 -1.635 0.534) 1.725 10.798 ( -0.553 -2.309 0.856) 2.523 11.256 ( 0.597 4.832 -0.426) 4.888 11.368 ( 0.553 -6.180 -0.294) 6.212 11.673 ( 0.717 8.262 -1.206) 8.380 11.794 ( 0.872 -3.904 -1.301) 4.207 11.900 ( 2.384 4.197 -0.176) 4.830 11.961 ( 2.314 -1.878 -0.370) 3.003 12.728 ( 0.142 1.320 1.623) 2.097 12.765 ( 0.677 -2.327 0.973) 2.612 13.232 ( 0.775 1.432 0.003) 1.629 13.261 ( 0.510 -1.408 -0.441) 1.561 20.393 ( 0.646 0.723 0.932) 1.345 20.443 ( -0.311 -4.162 1.649) 4.488 20.930 ( 2.492 4.701 1.109) 5.435 20.972 ( 0.620 0.881 2.883) 3.077 21.202 ( 2.999 4.332 -3.026) 6.076 21.319 ( 2.853 -6.238 -0.613) 6.887 21.528 ( -4.831 8.972 -3.523) 10.782 21.701 ( -6.339 -7.831 -3.892) 10.801 22.699 ( 1.531 0.720 -0.579) 1.788 22.720 ( 1.653 -1.367 -0.432) 2.188 23.381 ( 2.286 3.832 -0.469) 4.486 23.455 ( 1.655 -3.422 -0.875) 3.901 ======================= Grid point 27 (18/108) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 0.000 3.698 0.000) 3.698 2.074 ( 0.000 -4.271 0.000) 4.271 2.214 ( 0.000 4.718 0.000) 4.718 2.424 ( 0.000 -12.884 0.000) 12.884 2.815 ( 0.000 3.165 0.000) 3.165 2.865 ( 0.000 1.059 0.000) 1.059 3.013 ( 0.000 4.201 -0.000) 4.201 3.046 ( 0.000 -0.658 -0.000) 0.658 3.094 ( 0.000 10.139 -0.000) 10.139 3.385 ( 0.000 -12.520 -0.000) 12.520 3.485 ( 0.000 7.031 0.000) 7.031 3.576 ( 0.000 -0.817 0.000) 0.817 3.677 ( 0.000 1.116 0.000) 1.116 3.704 ( 0.000 -0.329 0.000) 0.329 3.825 ( 0.000 1.570 0.000) 1.570 3.869 ( 0.000 3.774 0.000) 3.774 3.909 ( 0.000 -4.048 0.000) 4.048 3.931 ( 0.000 -0.672 0.000) 0.672 4.065 ( -0.000 -3.736 0.000) 3.736 4.080 ( 0.000 -5.273 0.000) 5.273 4.517 ( 0.000 4.110 0.000) 4.110 4.584 ( 0.000 -2.146 0.000) 2.146 4.870 ( 0.000 4.839 0.000) 4.839 4.986 ( 0.000 -5.528 0.000) 5.528 5.210 ( 0.000 -0.455 -0.000) 0.455 5.241 ( 0.000 -2.652 0.000) 2.652 5.514 ( 0.000 6.729 0.000) 6.729 5.591 ( 0.000 -0.301 0.000) 0.301 5.645 ( 0.000 2.717 0.000) 2.717 5.713 ( 0.000 -3.606 0.000) 3.606 5.874 ( 0.000 0.416 0.000) 0.416 5.902 ( 0.000 -3.405 0.000) 3.405 6.036 ( 0.000 8.124 -0.000) 8.124 6.154 ( 0.000 1.178 0.000) 1.178 6.208 ( 0.000 -2.471 -0.000) 2.471 6.209 ( -0.000 0.183 0.000) 0.183 6.489 ( 0.000 1.123 0.000) 1.123 6.531 ( 0.000 -3.228 -0.000) 3.228 6.616 ( 0.000 9.133 0.000) 9.133 6.809 ( 0.000 -8.411 0.000) 8.411 7.054 ( 0.000 2.425 0.000) 2.425 7.116 ( 0.000 -3.377 0.000) 3.377 7.472 ( 0.000 0.264 0.000) 0.264 7.486 ( 0.000 -0.405 0.000) 0.405 7.585 ( 0.000 0.526 0.000) 0.526 7.614 ( 0.000 -2.395 0.000) 2.395 8.087 ( 0.000 8.815 -0.000) 8.815 8.263 ( 0.000 -8.492 -0.000) 8.492 10.789 ( 0.000 -2.226 0.000) 2.226 10.790 ( 0.000 -1.849 0.000) 1.849 11.263 ( 0.000 4.711 0.000) 4.711 11.373 ( 0.000 -6.209 -0.000) 6.209 11.680 ( 0.000 8.314 0.000) 8.314 11.803 ( 0.000 -3.970 0.000) 3.970 11.926 ( 0.000 4.234 0.000) 4.234 11.985 ( 0.000 -1.766 0.000) 1.766 12.729 ( 0.000 1.600 0.000) 1.600 12.772 ( 0.000 -2.576 0.000) 2.576 13.240 ( 0.000 1.288 0.000) 1.288 13.266 ( 0.000 -1.272 0.000) 1.272 20.401 ( 0.000 0.133 0.000) 0.133 20.439 ( 0.000 -3.611 0.000) 3.611 20.962 ( 0.000 3.832 -0.000) 3.832 20.976 ( -0.000 1.944 0.000) 1.944 21.235 ( 0.000 4.215 -0.000) 4.215 21.351 ( 0.000 -6.395 -0.000) 6.395 21.474 ( 0.000 8.011 0.000) 8.011 21.631 ( 0.000 -7.268 0.000) 7.268 22.716 ( 0.000 0.804 0.000) 0.804 22.738 ( 0.000 -1.401 0.000) 1.401 23.404 ( 0.000 3.542 0.000) 3.542 23.472 ( 0.000 -3.055 0.000) 3.055 ======================= Grid point 55 (19/108) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -2.155 0.000 21.980) 22.085 0.483 ( 1.863 0.000 23.376) 23.451 0.786 ( -10.996 0.000 35.929) 37.574 1.888 ( -1.050 0.000 3.811) 3.953 2.295 ( -2.714 0.000 -0.994) 2.890 2.479 ( 2.043 0.000 -0.028) 2.043 2.575 ( -1.408 0.000 -4.518) 4.732 2.789 ( -0.264 0.000 -3.687) 3.697 2.833 ( 2.783 0.000 -2.306) 3.614 3.114 ( 0.499 0.000 3.754) 3.787 3.119 ( 2.419 0.000 -3.457) 4.219 3.596 ( 0.840 0.000 -3.607) 3.704 3.768 ( -0.698 0.000 -2.153) 2.263 3.872 ( 2.383 0.000 -5.234) 5.751 4.114 ( -2.435 0.000 1.007) 2.635 4.323 ( 4.976 0.000 -2.693) 5.658 4.354 ( -5.148 0.000 0.461) 5.169 4.469 ( 6.157 0.000 1.291) 6.291 4.641 ( 14.632 0.000 -7.545) 16.463 4.667 ( 11.091 0.000 5.968) 12.595 4.781 ( -2.833 0.000 -9.416) 9.833 4.942 ( -12.476 0.000 4.427) 13.238 5.034 ( -9.237 0.000 3.828) 9.999 5.117 ( 6.734 0.000 0.569) 6.758 5.144 ( -14.957 0.000 2.278) 15.130 5.261 ( 3.187 0.000 7.666) 8.302 5.333 ( -4.387 0.000 8.150) 9.256 5.438 ( -5.325 0.000 3.677) 6.472 5.647 ( -1.762 0.000 1.206) 2.135 5.713 ( -1.025 0.000 0.075) 1.028 5.863 ( 8.037 0.000 0.125) 8.038 5.866 ( 12.241 0.000 1.177) 12.298 6.037 ( -0.408 0.000 -0.201) 0.455 6.135 ( 4.322 0.000 2.078) 4.795 6.136 ( -3.439 0.000 3.205) 4.701 6.350 ( 1.196 0.000 1.014) 1.568 6.572 ( 15.734 0.000 1.238) 15.783 6.651 ( -0.184 0.000 -1.627) 1.638 6.666 ( -2.293 0.000 -3.701) 4.354 6.813 ( -2.940 0.000 1.455) 3.280 7.178 ( -3.119 0.000 -4.115) 5.163 7.376 ( 0.695 0.000 0.842) 1.092 7.388 ( -2.971 0.000 5.024) 5.836 7.496 ( -1.829 0.000 -9.266) 9.444 7.888 ( 1.736 0.000 5.414) 5.685 7.937 ( 2.063 0.000 -0.999) 2.292 8.061 ( -0.442 0.000 -4.098) 4.122 8.294 ( -15.119 0.000 -0.063) 15.119 10.920 ( -13.865 0.000 -0.030) 13.865 11.123 ( 1.217 0.000 2.047) 2.382 11.143 ( 7.318 0.000 -3.368) 8.056 11.195 ( 1.306 0.000 1.130) 1.727 11.254 ( -7.305 0.000 1.625) 7.483 11.477 ( -0.310 0.000 -1.151) 1.193 11.758 ( -1.995 0.000 -2.625) 3.297 11.765 ( -1.677 0.000 -2.318) 2.861 12.673 ( 0.990 0.000 0.821) 1.286 12.997 ( 1.607 0.000 -1.725) 2.358 13.239 ( -1.509 0.000 1.974) 2.485 13.391 ( 51.097 0.000 -0.283) 51.098 20.350 ( 1.180 0.000 -1.701) 2.071 20.415 ( 0.026 0.000 -1.892) 1.892 20.684 ( 1.038 0.000 -1.907) 2.171 20.707 ( 1.634 0.000 -1.350) 2.120 21.151 ( 2.550 0.000 2.837) 3.814 21.203 ( -2.963 0.000 4.630) 5.497 21.491 (-104.541 0.000 -4.298) 104.630 22.338 ( -1.764 0.000 -6.390) 6.629 22.507 ( 1.368 0.000 3.426) 3.689 22.686 ( 0.207 0.000 -0.173) 0.270 22.897 ( -0.578 0.000 -0.332) 0.666 23.042 ( 5.158 0.000 -1.799) 5.463 ======================= Grid point 56 (20/108) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 14.432 0.000 13.783) 19.956 0.712 ( 20.815 0.000 12.792) 24.432 1.076 ( 26.586 0.000 22.734) 34.981 1.910 ( 3.410 0.000 2.483) 4.218 2.278 ( 1.299 0.000 -3.438) 3.675 2.505 ( 0.541 0.000 2.037) 2.107 2.569 ( 0.969 0.000 -4.384) 4.489 2.836 ( 0.190 0.000 -2.122) 2.131 2.847 ( 5.435 0.000 -3.634) 6.538 3.109 ( -0.861 0.000 5.017) 5.090 3.174 ( 2.956 0.000 -1.404) 3.272 3.590 ( -0.966 0.000 -2.920) 3.075 3.721 ( -2.741 0.000 -2.051) 3.423 3.923 ( 2.022 0.000 -2.821) 3.471 3.962 ( -2.741 0.000 2.946) 4.024 4.251 ( -5.211 0.000 -2.435) 5.752 4.295 ( -7.161 0.000 0.704) 7.196 4.491 ( -9.058 0.000 12.484) 15.424 4.607 ( 2.600 0.000 4.126) 4.877 4.666 ( -7.402 0.000 -8.190) 11.039 4.798 ( -8.938 0.000 9.417) 12.984 4.913 ( 5.713 0.000 -4.376) 7.196 4.948 ( 11.117 0.000 -9.366) 14.536 5.053 ( -11.846 0.000 4.989) 12.853 5.214 ( 2.883 0.000 -4.287) 5.166 5.288 ( -0.604 0.000 9.391) 9.410 5.296 ( 1.162 0.000 3.738) 3.914 5.426 ( 2.059 0.000 -3.200) 3.805 5.619 ( -0.789 0.000 -0.837) 1.150 5.678 ( -2.936 0.000 1.388) 3.247 5.843 ( -4.498 0.000 2.620) 5.206 6.008 ( 0.525 0.000 2.948) 2.994 6.012 ( -0.506 0.000 1.436) 1.523 6.237 ( 5.392 0.000 5.435) 7.656 6.311 ( 11.148 0.000 -1.496) 11.248 6.441 ( 5.765 0.000 0.889) 5.833 6.561 ( -7.395 0.000 -7.268) 10.369 6.630 ( -1.533 0.000 -2.078) 2.582 6.715 ( -6.286 0.000 0.800) 6.336 6.880 ( -2.062 0.000 -3.074) 3.702 7.225 ( 10.111 0.000 -11.997) 15.689 7.355 ( 2.521 0.000 -3.378) 4.215 7.398 ( 0.877 0.000 -4.063) 4.156 7.473 ( 0.347 0.000 -3.773) 3.789 7.883 ( -14.945 0.000 11.336) 18.758 7.892 ( -1.539 0.000 5.064) 5.293 7.928 ( -2.721 0.000 0.655) 2.799 8.090 ( 3.383 0.000 -5.094) 6.115 10.796 ( 0.565 0.000 0.240) 0.614 11.107 ( -6.611 0.000 2.370) 7.023 11.150 ( 1.226 0.000 3.201) 3.428 11.205 ( 1.660 0.000 0.676) 1.792 11.328 ( 8.083 0.000 -2.748) 8.537 11.487 ( 1.289 0.000 -1.449) 1.940 11.742 ( -0.347 0.000 -2.966) 2.986 11.756 ( 1.838 0.000 -2.011) 2.724 12.706 ( 2.101 0.000 0.736) 2.226 12.980 ( -1.686 0.000 -1.583) 2.313 13.229 ( 0.526 0.000 0.936) 1.074 13.702 ( -16.651 0.000 14.054) 21.789 20.316 ( 1.425 0.000 -0.643) 1.564 20.382 ( 1.773 0.000 -0.659) 1.891 20.450 ( 3.897 0.000 -2.530) 4.646 20.729 ( 3.251 0.000 -1.774) 3.703 20.801 ( 5.899 0.000 1.658) 6.127 21.117 ( -5.025 0.000 3.868) 6.341 21.240 ( 5.548 0.000 4.378) 7.068 22.231 ( -6.739 0.000 -9.375) 11.546 22.613 ( 3.492 0.000 -2.880) 4.527 22.664 ( -1.611 0.000 0.292) 1.637 22.951 ( 5.087 0.000 -0.781) 5.147 23.218 ( 8.151 0.000 -5.955) 10.094 ======================= Grid point 57 (21/108) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 23.213 0.000 3.680) 23.503 1.177 ( 22.584 0.000 6.929) 23.623 1.666 ( 28.133 0.000 12.275) 30.694 2.035 ( 9.041 0.000 0.707) 9.069 2.350 ( 5.611 0.000 -3.786) 6.769 2.517 ( 0.902 0.000 2.536) 2.691 2.611 ( 3.293 0.000 -4.001) 5.181 2.882 ( 3.511 0.000 -1.879) 3.982 2.980 ( 7.092 0.000 -4.117) 8.200 3.100 ( 0.405 0.000 3.927) 3.948 3.230 ( 2.182 0.000 0.811) 2.328 3.578 ( 0.105 0.000 -1.667) 1.670 3.719 ( 2.629 0.000 -2.840) 3.870 3.933 ( -1.163 0.000 -0.116) 1.169 3.965 ( 0.716 0.000 1.908) 2.038 4.116 ( -8.434 0.000 -3.139) 8.999 4.163 ( -4.862 0.000 2.754) 5.588 4.313 ( -7.768 0.000 7.181) 10.579 4.488 ( -9.371 0.000 -4.634) 10.454 4.633 ( -6.014 0.000 5.784) 8.344 4.637 ( -0.835 0.000 3.043) 3.156 4.837 ( -7.980 0.000 4.770) 9.297 4.967 ( -7.230 0.000 1.122) 7.317 5.130 ( 4.350 0.000 -6.523) 7.840 5.144 ( -0.705 0.000 -5.243) 5.290 5.228 ( -4.969 0.000 0.804) 5.033 5.338 ( 4.263 0.000 3.186) 5.323 5.524 ( 6.354 0.000 -3.698) 7.352 5.605 ( -3.019 0.000 5.127) 5.950 5.631 ( 1.955 0.000 -2.601) 3.254 5.767 ( -2.509 0.000 2.319) 3.416 6.034 ( 2.477 0.000 3.367) 4.180 6.070 ( 3.856 0.000 1.982) 4.336 6.335 ( -5.012 0.000 -2.558) 5.626 6.385 ( 0.173 0.000 -2.211) 2.218 6.391 ( -2.210 0.000 3.448) 4.096 6.506 ( -4.609 0.000 0.132) 4.611 6.570 ( -5.508 0.000 0.500) 5.531 6.613 ( 0.823 0.000 0.702) 1.082 6.764 ( -3.546 0.000 2.073) 4.107 7.254 ( -2.864 0.000 3.221) 4.310 7.390 ( -2.358 0.000 -8.352) 8.678 7.390 ( -1.157 0.000 -9.661) 9.730 7.523 ( 3.769 0.000 2.785) 4.687 7.768 ( -0.222 0.000 -0.491) 0.539 7.810 ( -6.193 0.000 1.971) 6.499 7.869 ( -2.403 0.000 4.054) 4.713 8.196 ( 6.265 0.000 -8.803) 10.805 10.840 ( 2.705 0.000 -3.173) 4.169 10.993 ( -4.441 0.000 2.254) 4.980 11.172 ( 0.854 0.000 3.571) 3.672 11.244 ( 2.065 0.000 1.267) 2.422 11.476 ( 6.177 0.000 -3.335) 7.020 11.525 ( 2.238 0.000 -1.582) 2.740 11.752 ( 1.308 0.000 -2.488) 2.810 11.818 ( 3.838 0.000 -2.210) 4.429 12.753 ( 2.260 0.000 -0.274) 2.277 12.923 ( -3.980 0.000 0.154) 3.983 13.254 ( 1.604 0.000 0.943) 1.860 13.394 ( -9.750 0.000 19.194) 21.528 20.420 ( 1.947 0.000 0.246) 1.962 20.436 ( 4.307 0.000 -7.378) 8.543 20.617 ( 9.723 0.000 -10.455) 14.278 20.799 ( 2.581 0.000 2.047) 3.294 20.972 ( 9.510 0.000 -0.819) 9.545 21.011 ( -4.480 0.000 -1.970) 4.894 21.373 ( 6.968 0.000 6.503) 9.531 22.069 ( -8.507 0.000 -9.985) 13.118 22.642 ( -0.316 0.000 0.219) 0.385 22.657 ( 1.582 0.000 -2.552) 3.003 23.073 ( 6.224 0.000 -0.579) 6.251 23.348 ( 4.961 0.000 -5.416) 7.345 ======================= Grid point 58 (22/108) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( 21.540 0.000 3.660) 21.849 1.604 ( 18.190 0.000 5.152) 18.906 2.114 ( 13.887 0.000 4.921) 14.734 2.326 ( 18.349 0.000 -1.883) 18.446 2.487 ( 7.083 0.000 -2.483) 7.505 2.552 ( 2.665 0.000 0.302) 2.682 2.696 ( 4.624 0.000 -3.279) 5.669 2.967 ( 5.355 0.000 4.637) 7.084 3.127 ( 7.174 0.000 -4.061) 8.243 3.135 ( 2.720 0.000 1.154) 2.955 3.260 ( 0.953 0.000 4.520) 4.619 3.585 ( 0.030 0.000 -1.768) 1.768 3.802 ( 3.726 0.000 -1.303) 3.947 3.881 ( -5.247 0.000 -1.321) 5.411 3.913 ( -5.577 0.000 2.955) 6.311 3.917 ( -7.954 0.000 -0.402) 7.964 4.098 ( -1.705 0.000 0.200) 1.716 4.225 ( -0.175 0.000 5.164) 5.167 4.306 ( -7.587 0.000 -0.231) 7.591 4.487 ( -9.471 0.000 3.930) 10.254 4.584 ( -5.531 0.000 2.767) 6.185 4.698 ( -12.354 0.000 0.600) 12.368 4.775 ( 1.610 0.000 0.402) 1.659 5.126 ( -2.782 0.000 -1.374) 3.102 5.156 ( -0.951 0.000 -4.679) 4.775 5.168 ( -0.370 0.000 -4.356) 4.372 5.454 ( 5.804 0.000 2.075) 6.164 5.575 ( -0.000 0.000 5.019) 5.019 5.636 ( 2.643 0.000 1.351) 2.968 5.716 ( 7.113 0.000 -4.585) 8.463 5.719 ( -2.531 0.000 1.499) 2.941 6.085 ( -7.263 0.000 -2.072) 7.553 6.111 ( -2.259 0.000 -4.510) 5.044 6.126 ( 0.250 0.000 1.746) 1.763 6.298 ( -4.760 0.000 2.434) 5.346 6.335 ( -7.786 0.000 -0.020) 7.786 6.414 ( -7.733 0.000 1.839) 7.949 6.491 ( 2.827 0.000 3.535) 4.526 6.688 ( 4.855 0.000 -1.120) 4.982 6.748 ( 0.265 0.000 2.828) 2.841 7.165 ( -4.402 0.000 1.456) 4.637 7.355 ( -0.945 0.000 -1.802) 2.035 7.361 ( -1.303 0.000 -8.581) 8.680 7.577 ( -1.019 0.000 2.296) 2.512 7.700 ( -1.932 0.000 2.912) 3.495 7.754 ( -1.399 0.000 -0.691) 1.560 7.830 ( -1.343 0.000 2.998) 3.285 8.311 ( 4.697 0.000 -8.456) 9.673 10.893 ( 2.480 0.000 -3.399) 4.207 10.925 ( -2.328 0.000 1.680) 2.871 11.187 ( 0.481 0.000 3.214) 3.250 11.284 ( 1.641 0.000 1.571) 2.272 11.570 ( 2.030 0.000 -1.563) 2.562 11.579 ( 3.992 0.000 -4.156) 5.763 11.790 ( 2.317 0.000 -1.305) 2.659 11.898 ( 3.688 0.000 -2.186) 4.287 12.793 ( 1.604 0.000 -1.312) 2.072 12.833 ( -4.258 0.000 2.165) 4.777 13.287 ( -2.375 0.000 10.328) 10.598 13.288 ( 1.522 0.000 1.541) 2.166 20.464 ( 2.297 0.000 1.212) 2.597 20.514 ( 3.734 0.000 -5.968) 7.040 20.774 ( -5.004 0.000 6.629) 8.306 20.792 ( 7.956 0.000 -4.396) 9.090 20.991 ( 2.558 0.000 -8.510) 8.886 21.127 ( 4.650 0.000 -0.827) 4.723 21.510 ( 5.632 0.000 7.502) 9.380 21.895 ( -7.573 0.000 -8.703) 11.537 22.653 ( 1.238 0.000 0.041) 1.239 22.693 ( 2.096 0.000 -2.302) 3.113 23.192 ( 5.152 0.000 -0.378) 5.166 23.431 ( 3.321 0.000 -3.900) 5.123 ======================= Grid point 59 (23/108) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 15.082 0.000 5.713) 16.128 1.901 ( 10.030 0.000 4.882) 11.155 2.339 ( 8.860 0.000 2.775) 9.284 2.600 ( 3.577 0.000 -2.610) 4.428 2.605 ( 7.428 0.000 -6.179) 9.662 2.632 ( 4.638 0.000 -2.086) 5.086 2.773 ( 2.382 0.000 -1.365) 2.746 3.114 ( 6.930 0.000 6.253) 9.334 3.214 ( 5.351 0.000 0.765) 5.405 3.235 ( 1.515 0.000 3.315) 3.645 3.299 ( 2.800 0.000 3.917) 4.815 3.567 ( -0.555 0.000 -5.713) 5.740 3.704 ( -6.970 0.000 -0.340) 6.979 3.723 ( -5.937 0.000 4.210) 7.278 3.873 ( 0.508 0.000 -1.514) 1.597 3.890 ( -2.530 0.000 3.647) 4.439 4.092 ( 1.929 0.000 -5.297) 5.638 4.192 ( -3.709 0.000 2.961) 4.746 4.239 ( -1.714 0.000 2.386) 2.938 4.269 ( -10.737 0.000 3.275) 11.225 4.414 ( -3.533 0.000 4.766) 5.932 4.582 ( -2.931 0.000 1.890) 3.488 4.839 ( 3.662 0.000 -1.148) 3.838 5.068 ( -2.356 0.000 -1.992) 3.086 5.129 ( -0.244 0.000 -4.730) 4.736 5.198 ( 2.225 0.000 -5.535) 5.966 5.518 ( 0.361 0.000 2.037) 2.068 5.595 ( -0.512 0.000 2.697) 2.745 5.660 ( -2.192 0.000 1.187) 2.493 5.677 ( 1.147 0.000 2.256) 2.531 5.822 ( 0.363 0.000 -0.846) 0.921 5.855 ( -6.466 0.000 -7.542) 9.934 6.056 ( -5.123 0.000 3.647) 6.289 6.145 ( 0.666 0.000 -0.669) 0.944 6.223 ( -3.480 0.000 2.904) 4.532 6.250 ( 0.488 0.000 2.447) 2.496 6.334 ( 0.229 0.000 -3.308) 3.316 6.489 ( -2.581 0.000 1.504) 2.988 6.750 ( -0.115 0.000 5.076) 5.077 6.792 ( 4.491 0.000 -1.784) 4.833 7.115 ( -0.118 0.000 0.224) 0.253 7.321 ( -2.854 0.000 -0.838) 2.974 7.344 ( 0.045 0.000 -6.323) 6.323 7.489 ( -4.848 0.000 0.552) 4.879 7.721 ( 0.890 0.000 2.182) 2.357 7.724 ( -1.186 0.000 0.970) 1.532 7.820 ( 0.500 0.000 2.917) 2.960 8.381 ( 2.256 0.000 -6.895) 7.255 10.891 ( -1.116 0.000 1.007) 1.503 10.940 ( 2.159 0.000 -2.793) 3.530 11.193 ( 0.034 0.000 2.603) 2.604 11.310 ( 0.766 0.000 1.623) 1.795 11.603 ( 1.156 0.000 -1.502) 1.895 11.642 ( 2.207 0.000 -4.548) 5.055 11.837 ( 2.012 0.000 -0.288) 2.033 11.961 ( 2.305 0.000 -1.925) 3.003 12.760 ( -2.825 0.000 1.884) 3.396 12.815 ( 0.551 0.000 -2.043) 2.116 13.262 ( -0.750 0.000 5.752) 5.801 13.316 ( 1.161 0.000 2.378) 2.646 20.511 ( 2.023 0.000 2.914) 3.547 20.586 ( 3.305 0.000 -6.321) 7.132 20.658 ( -5.349 0.000 2.810) 6.042 20.939 ( 5.285 0.000 2.591) 5.886 21.057 ( 3.384 0.000 -7.325) 8.069 21.163 ( 0.116 0.000 -2.926) 2.929 21.591 ( 1.875 0.000 7.419) 7.652 21.784 ( -2.484 0.000 -4.328) 4.990 22.685 ( 1.657 0.000 0.144) 1.663 22.737 ( 1.998 0.000 -1.946) 2.790 23.277 ( 2.910 0.000 -0.361) 2.932 23.486 ( 2.159 0.000 -2.679) 3.441 ======================= Grid point 60 (24/108) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.000 ( -0.761 0.000 4.621) 4.683 2.013 ( -0.535 0.000 7.817) 7.836 2.464 ( 2.618 0.000 2.076) 3.341 2.658 ( 2.183 0.000 -6.769) 7.112 2.686 ( 2.243 0.000 -5.793) 6.212 2.693 ( 0.926 0.000 -0.421) 1.018 2.805 ( 1.755 0.000 0.563) 1.843 3.140 ( -4.866 0.000 0.862) 4.942 3.183 ( -8.444 0.000 7.499) 11.293 3.286 ( -0.996 0.000 1.505) 1.805 3.342 ( 5.570 0.000 1.926) 5.893 3.616 ( 0.390 0.000 -2.508) 2.538 3.683 ( 8.743 0.000 -4.459) 9.814 3.707 ( 3.269 0.000 5.160) 6.108 3.744 ( -8.617 0.000 5.658) 10.309 3.916 ( 1.576 0.000 3.093) 3.471 4.056 ( -6.013 0.000 -0.884) 6.077 4.063 ( -4.984 0.000 -5.651) 7.535 4.175 ( 0.294 0.000 3.382) 3.395 4.270 ( 6.728 0.000 0.805) 6.776 4.471 ( 4.807 0.000 6.344) 7.960 4.514 ( -3.209 0.000 3.704) 4.900 4.907 ( 2.604 0.000 0.236) 2.615 5.042 ( 0.152 0.000 -2.023) 2.029 5.187 ( 6.064 0.000 -7.027) 9.282 5.187 ( -4.154 0.000 -8.008) 9.021 5.451 ( -6.848 0.000 4.716) 8.315 5.551 ( -1.221 0.000 -0.757) 1.437 5.625 ( -2.318 0.000 -5.189) 5.683 5.643 ( -1.040 0.000 0.681) 1.243 5.809 ( -0.020 0.000 1.532) 1.533 5.899 ( 8.195 0.000 3.394) 8.870 5.977 ( -2.457 0.000 2.907) 3.806 6.172 ( 1.541 0.000 -0.691) 1.689 6.199 ( 1.575 0.000 3.489) 3.828 6.268 ( -1.341 0.000 2.208) 2.584 6.348 ( 0.237 0.000 -4.892) 4.898 6.430 ( -1.505 0.000 -0.670) 1.647 6.749 ( -0.031 0.000 6.168) 6.168 6.846 ( 0.488 0.000 -1.179) 1.276 7.155 ( 3.504 0.000 0.124) 3.506 7.237 ( -4.811 0.000 -1.591) 5.067 7.364 ( 1.803 0.000 -4.261) 4.627 7.423 ( -1.050 0.000 -1.201) 1.596 7.702 ( -2.469 0.000 -0.030) 2.469 7.716 ( 0.596 0.000 1.605) 1.712 7.841 ( 0.746 0.000 3.864) 3.936 8.401 ( -0.074 0.000 -5.974) 5.975 10.874 ( -0.640 0.000 0.379) 0.744 10.981 ( 1.879 0.000 -1.973) 2.724 11.189 ( -0.472 0.000 2.184) 2.234 11.316 ( -0.173 0.000 1.495) 1.505 11.616 ( 0.115 0.000 -1.418) 1.423 11.667 ( 0.340 0.000 -4.260) 4.273 11.868 ( 0.914 0.000 0.337) 0.974 11.989 ( 0.433 0.000 -1.559) 1.618 12.713 ( -1.926 0.000 1.006) 2.173 12.815 ( -0.501 0.000 -2.501) 2.551 13.248 ( -0.831 0.000 3.777) 3.867 13.338 ( 0.963 0.000 3.314) 3.451 20.509 ( -3.056 0.000 4.380) 5.340 20.606 ( 0.992 0.000 -0.652) 1.187 20.642 ( 2.115 0.000 -6.953) 7.267 20.931 ( -5.723 0.000 4.254) 7.131 21.118 ( 2.603 0.000 -5.958) 6.502 21.229 ( 6.493 0.000 -2.591) 6.991 21.587 ( -2.379 0.000 6.257) 6.694 21.801 ( 4.051 0.000 0.871) 4.144 22.710 ( 0.538 0.000 0.514) 0.745 22.763 ( 0.334 0.000 -1.576) 1.611 23.308 ( 0.067 0.000 -0.397) 0.402 23.520 ( 1.194 0.000 -1.768) 2.133 ======================= Grid point 61 (25/108) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -15.359 0.000 6.683) 16.750 1.881 ( -10.353 0.000 4.280) 11.203 2.430 ( -5.834 0.000 3.385) 6.745 2.648 ( -3.518 0.000 -2.837) 4.519 2.710 ( 1.280 0.000 -4.119) 4.313 2.712 ( 0.337 0.000 -4.073) 4.087 2.859 ( 1.589 0.000 2.937) 3.340 2.967 ( -10.543 0.000 3.491) 11.106 2.969 ( -10.887 0.000 2.386) 11.146 3.261 ( -2.384 0.000 0.120) 2.387 3.321 ( -8.339 0.000 5.335) 9.900 3.653 ( 2.656 0.000 -1.863) 3.244 3.662 ( 3.262 0.000 -0.591) 3.316 3.806 ( 3.793 0.000 2.827) 4.731 3.809 ( -3.180 0.000 0.113) 3.182 3.902 ( 5.753 0.000 3.216) 6.591 3.968 ( -3.762 0.000 -5.057) 6.303 4.089 ( 5.068 0.000 -5.642) 7.584 4.268 ( 9.837 0.000 4.692) 10.899 4.404 ( -2.706 0.000 6.051) 6.628 4.455 ( 8.957 0.000 4.782) 10.153 4.620 ( 7.145 0.000 3.834) 8.109 4.914 ( -3.518 0.000 1.266) 3.739 5.059 ( -1.450 0.000 -8.231) 8.358 5.098 ( 1.800 0.000 -0.705) 1.933 5.321 ( 1.579 0.000 -5.761) 5.973 5.334 ( 0.071 0.000 2.219) 2.220 5.501 ( -4.115 0.000 -1.369) 4.336 5.632 ( 1.604 0.000 -2.033) 2.589 5.648 ( 2.569 0.000 0.511) 2.619 5.851 ( 4.424 0.000 -2.070) 4.884 5.957 ( 0.734 0.000 1.378) 1.561 6.089 ( 6.545 0.000 5.187) 8.352 6.166 ( -6.016 0.000 3.338) 6.880 6.217 ( 3.973 0.000 -0.808) 4.054 6.267 ( 3.294 0.000 4.103) 5.261 6.332 ( -0.997 0.000 -4.457) 4.567 6.443 ( 1.671 0.000 -2.492) 3.000 6.749 ( -0.440 0.000 5.196) 5.215 6.817 ( -2.863 0.000 1.014) 3.037 7.139 ( -3.576 0.000 -1.212) 3.776 7.243 ( 4.108 0.000 -0.554) 4.145 7.399 ( 2.056 0.000 -4.109) 4.594 7.460 ( 3.966 0.000 -2.548) 4.714 7.633 ( -3.929 0.000 -0.433) 3.953 7.756 ( 3.420 0.000 1.416) 3.702 7.836 ( -1.287 0.000 3.827) 4.038 8.376 ( -2.179 0.000 -5.917) 6.306 10.864 ( -0.290 0.000 -0.252) 0.384 11.017 ( 1.697 0.000 -1.203) 2.080 11.175 ( -0.861 0.000 2.267) 2.425 11.303 ( -1.051 0.000 1.313) 1.682 11.608 ( -0.860 0.000 -1.258) 1.523 11.653 ( -1.646 0.000 -3.532) 3.897 11.875 ( -0.198 0.000 0.710) 0.737 11.977 ( -1.487 0.000 -1.138) 1.873 12.675 ( -1.908 0.000 -0.108) 1.911 12.795 ( -1.461 0.000 -2.673) 3.046 13.226 ( -1.428 0.000 3.041) 3.359 13.355 ( 0.573 0.000 4.226) 4.265 20.440 ( -3.039 0.000 1.427) 3.358 20.644 ( 1.999 0.000 0.206) 2.010 20.664 ( -0.137 0.000 -7.641) 7.642 20.787 ( -6.949 0.000 2.226) 7.297 21.161 ( 1.677 0.000 -4.086) 4.417 21.377 ( 7.487 0.000 2.965) 8.052 21.503 ( -5.576 0.000 4.503) 7.167 21.939 ( 8.826 0.000 2.872) 9.281 22.705 ( -0.973 0.000 0.793) 1.255 22.747 ( -1.764 0.000 -1.645) 2.412 23.279 ( -2.738 0.000 -0.347) 2.760 23.536 ( 0.475 0.000 -1.174) 1.266 ======================= Grid point 62 (26/108) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( -20.896 0.000 5.707) 21.661 1.597 ( -16.993 0.000 5.082) 17.737 2.264 ( -9.397 0.000 3.768) 10.125 2.549 ( -5.283 0.000 -0.302) 5.292 2.560 ( -23.616 0.000 12.605) 26.769 2.662 ( -7.179 0.000 4.284) 8.360 2.709 ( -3.028 0.000 -4.289) 5.250 2.852 ( 1.018 0.000 -11.100) 11.147 2.907 ( -0.138 0.000 4.917) 4.919 3.166 ( -5.238 0.000 0.041) 5.238 3.181 ( -5.290 0.000 0.097) 5.291 3.622 ( -4.041 0.000 -2.005) 4.511 3.761 ( 4.664 0.000 -4.572) 6.531 3.836 ( -0.796 0.000 1.099) 1.357 3.848 ( 5.378 0.000 -2.371) 5.878 3.920 ( -0.440 0.000 -2.146) 2.191 3.950 ( 0.790 0.000 0.891) 1.191 4.268 ( 11.281 0.000 -5.923) 12.741 4.372 ( 0.769 0.000 9.044) 9.076 4.528 ( 13.684 0.000 7.533) 15.621 4.689 ( 11.335 0.000 4.570) 12.221 4.759 ( 6.598 0.000 4.273) 7.861 4.776 ( -7.593 0.000 -1.358) 7.713 5.079 ( 3.109 0.000 -3.082) 4.378 5.186 ( 4.916 0.000 -0.176) 4.919 5.272 ( -3.471 0.000 -2.440) 4.243 5.391 ( 1.741 0.000 -0.263) 1.760 5.421 ( -1.766 0.000 -2.410) 2.988 5.662 ( 1.320 0.000 1.170) 1.764 5.721 ( 3.041 0.000 2.476) 3.921 5.916 ( 0.031 0.000 -2.440) 2.440 6.017 ( -7.435 0.000 6.018) 9.566 6.025 ( 5.781 0.000 -1.847) 6.069 6.171 ( 3.516 0.000 -3.220) 4.767 6.231 ( -4.324 0.000 0.311) 4.335 6.369 ( 7.105 0.000 0.223) 7.108 6.382 ( 3.083 0.000 -0.141) 3.086 6.491 ( 3.734 0.000 -1.530) 4.036 6.715 ( -2.903 0.000 1.447) 3.243 6.748 ( -3.187 0.000 4.999) 5.928 7.112 ( 1.125 0.000 -1.269) 1.696 7.320 ( 3.379 0.000 0.545) 3.423 7.458 ( 3.353 0.000 -5.756) 6.661 7.528 ( -1.195 0.000 -3.705) 3.893 7.581 ( 3.011 0.000 0.014) 3.012 7.798 ( -2.094 0.000 4.134) 4.634 7.861 ( 6.729 0.000 1.822) 6.971 8.314 ( -3.565 0.000 -6.562) 7.468 10.867 ( 0.711 0.000 -1.007) 1.232 11.050 ( 1.485 0.000 -0.820) 1.696 11.159 ( -0.664 0.000 2.976) 3.049 11.274 ( -1.756 0.000 1.133) 2.090 11.582 ( -1.638 0.000 -1.006) 1.922 11.600 ( -3.419 0.000 -2.519) 4.247 11.863 ( -0.916 0.000 0.788) 1.209 11.930 ( -3.020 0.000 -0.615) 3.082 12.630 ( -2.516 0.000 -1.306) 2.835 12.755 ( -2.246 0.000 -2.430) 3.309 13.189 ( -2.300 0.000 2.958) 3.747 13.358 ( -0.500 0.000 4.864) 4.890 20.389 ( -2.008 0.000 -0.439) 2.055 20.603 ( -5.220 0.000 -4.226) 6.716 20.677 ( 1.063 0.000 -0.222) 1.086 20.701 ( -1.468 0.000 -1.730) 2.269 21.184 ( 0.543 0.000 -1.830) 1.909 21.376 ( -6.290 0.000 3.063) 6.996 21.539 ( 8.369 0.000 7.439) 11.197 22.140 ( 10.061 0.000 2.529) 10.374 22.678 ( -1.430 0.000 0.724) 1.603 22.698 ( -2.618 0.000 -2.122) 3.370 23.200 ( -4.879 0.000 -0.182) 4.882 23.539 ( -0.210 0.000 -1.358) 1.374 ======================= Grid point 63 (27/108) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -21.844 0.000 6.885) 22.903 1.200 ( -21.296 0.000 7.858) 22.700 1.973 ( -31.909 0.000 19.598) 37.447 2.078 ( -8.214 0.000 4.526) 9.378 2.458 ( -3.072 0.000 0.231) 3.080 2.505 ( -6.987 0.000 4.077) 8.090 2.649 ( -2.753 0.000 -6.402) 6.968 2.879 ( -2.935 0.000 5.845) 6.541 2.907 ( 1.986 0.000 -13.907) 14.048 3.065 ( -4.416 0.000 -0.597) 4.457 3.095 ( -1.682 0.000 -2.782) 3.250 3.562 ( -1.385 0.000 -1.711) 2.201 3.790 ( -1.209 0.000 -2.953) 3.191 3.850 ( 2.437 0.000 2.322) 3.366 3.865 ( -1.610 0.000 -4.239) 4.535 3.960 ( 4.862 0.000 -1.781) 5.178 4.089 ( 10.929 0.000 -3.994) 11.636 4.424 ( 3.229 0.000 8.582) 9.169 4.485 ( 7.657 0.000 -4.542) 8.902 4.638 ( -2.671 0.000 0.698) 2.760 4.805 ( 0.723 0.000 7.775) 7.808 4.808 ( 11.308 0.000 6.514) 13.050 4.940 ( 7.053 0.000 0.427) 7.066 5.140 ( 2.307 0.000 -3.089) 3.855 5.154 ( -4.985 0.000 0.251) 4.992 5.276 ( 3.254 0.000 2.346) 4.012 5.412 ( 1.631 0.000 -1.187) 2.017 5.498 ( 7.397 0.000 -1.935) 7.646 5.676 ( -0.530 0.000 2.716) 2.767 5.756 ( 0.586 0.000 3.584) 3.631 5.861 ( -7.632 0.000 7.790) 10.905 5.901 ( 0.401 0.000 -1.830) 1.873 6.085 ( -3.337 0.000 4.140) 5.317 6.178 ( -2.845 0.000 -5.394) 6.098 6.205 ( 3.169 0.000 -4.078) 5.165 6.380 ( -2.940 0.000 -5.923) 6.612 6.512 ( -1.252 0.000 -1.372) 1.858 6.525 ( 5.848 0.000 -1.263) 5.983 6.668 ( -0.862 0.000 0.507) 1.000 6.751 ( 3.744 0.000 7.905) 8.746 7.162 ( 2.928 0.000 -1.098) 3.127 7.383 ( 2.640 0.000 0.731) 2.739 7.441 ( -3.506 0.000 -0.921) 3.625 7.540 ( 1.858 0.000 -8.830) 9.024 7.696 ( 6.569 0.000 -2.813) 7.146 7.781 ( 1.158 0.000 5.760) 5.875 8.021 ( 7.852 0.000 3.095) 8.440 8.244 ( -2.141 0.000 -6.949) 7.272 10.902 ( 2.969 0.000 -1.936) 3.545 11.075 ( 0.923 0.000 -0.888) 1.281 11.156 ( 0.397 0.000 3.201) 3.226 11.235 ( -1.939 0.000 0.986) 2.175 11.513 ( -4.938 0.000 -1.245) 5.093 11.542 ( -2.064 0.000 -0.801) 2.214 11.839 ( -1.411 0.000 0.318) 1.446 11.861 ( -3.336 0.000 0.050) 3.337 12.574 ( -2.542 0.000 -0.450) 2.582 12.706 ( -2.272 0.000 -1.613) 2.787 13.134 ( -2.943 0.000 3.085) 4.263 13.334 ( -1.981 0.000 4.775) 5.170 20.355 ( -1.226 0.000 -1.665) 2.068 20.502 ( -4.134 0.000 -2.391) 4.776 20.683 ( -0.426 0.000 -3.191) 3.219 20.686 ( -0.060 0.000 -0.889) 0.891 21.172 ( -1.938 0.000 -1.017) 2.188 21.277 ( -2.786 0.000 3.884) 4.780 21.737 ( 11.152 0.000 10.384) 15.238 22.321 ( 6.439 0.000 -0.144) 6.440 22.656 ( -0.441 0.000 0.268) 0.516 22.660 ( -0.310 0.000 -1.467) 1.499 23.086 ( -5.947 0.000 0.029) 5.947 23.517 ( -2.514 0.000 -4.703) 5.333 ======================= Grid point 64 (28/108) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( -15.905 0.000 14.100) 21.255 0.753 ( -21.099 0.000 13.771) 25.195 1.306 ( -32.021 0.000 27.873) 42.453 1.945 ( -4.691 0.000 4.226) 6.314 2.377 ( -5.018 0.000 2.180) 5.471 2.442 ( 0.802 0.000 -0.621) 1.015 2.605 ( -1.324 0.000 -5.848) 5.996 2.806 ( -2.550 0.000 0.333) 2.572 2.852 ( -4.859 0.000 -5.854) 7.608 3.068 ( 2.734 0.000 -6.078) 6.665 3.094 ( 1.033 0.000 1.141) 1.540 3.566 ( 1.479 0.000 -2.548) 2.946 3.774 ( -0.297 0.000 -2.240) 2.259 3.845 ( 0.161 0.000 -5.463) 5.466 3.932 ( 7.378 0.000 7.581) 10.579 4.115 ( 9.912 0.000 -1.622) 10.044 4.345 ( 13.792 0.000 -7.274) 15.593 4.463 ( -5.154 0.000 1.651) 5.412 4.473 ( 0.318 0.000 5.465) 5.475 4.710 ( -8.921 0.000 6.239) 10.886 4.740 ( 6.978 0.000 -6.790) 9.736 4.972 ( -0.072 0.000 0.651) 0.655 4.981 ( 5.483 0.000 1.909) 5.806 5.168 ( -1.052 0.000 0.776) 1.307 5.180 ( 4.276 0.000 5.863) 7.256 5.306 ( 1.029 0.000 6.811) 6.889 5.459 ( 0.265 0.000 1.279) 1.306 5.621 ( -6.149 0.000 4.969) 7.906 5.649 ( 5.808 0.000 -7.600) 9.566 5.710 ( -5.950 0.000 3.533) 6.920 5.755 ( -0.874 0.000 2.299) 2.459 5.947 ( -10.206 0.000 0.231) 10.208 5.964 ( 5.243 0.000 -0.178) 5.246 6.117 ( -1.864 0.000 -1.398) 2.330 6.172 ( -2.772 0.000 0.558) 2.828 6.403 ( 4.650 0.000 -2.066) 5.088 6.406 ( -5.445 0.000 -1.134) 5.562 6.652 ( 3.753 0.000 -1.119) 3.917 6.662 ( -0.405 0.000 -0.313) 0.512 6.824 ( 1.874 0.000 4.192) 4.592 7.203 ( 0.715 0.000 -2.627) 2.723 7.384 ( -1.675 0.000 0.512) 1.752 7.418 ( 0.351 0.000 1.482) 1.524 7.537 ( -1.511 0.000 -9.872) 9.987 7.821 ( 4.698 0.000 2.029) 5.117 7.854 ( 5.184 0.000 1.168) 5.313 8.089 ( -1.259 0.000 -2.917) 3.177 8.310 ( 7.442 0.000 -1.554) 7.602 10.995 ( 6.139 0.000 -2.865) 6.774 11.090 ( 0.327 0.000 -0.641) 0.720 11.148 ( -3.016 0.000 -1.717) 3.470 11.201 ( -1.197 0.000 0.969) 1.540 11.397 ( -6.378 0.000 0.249) 6.383 11.501 ( -1.830 0.000 -0.930) 2.053 11.804 ( -1.918 0.000 -0.893) 2.116 11.806 ( -2.059 0.000 -0.885) 2.241 12.604 ( 10.574 0.000 11.156) 15.371 12.671 ( -0.907 0.000 -0.277) 0.949 13.079 ( -2.075 0.000 3.419) 3.999 13.284 ( -2.652 0.000 3.641) 4.505 20.340 ( -0.166 0.000 -2.165) 2.171 20.437 ( -2.099 0.000 -2.029) 2.919 20.680 ( -0.294 0.000 -1.331) 1.363 20.683 ( 0.556 0.000 -2.655) 2.712 21.133 ( -0.859 0.000 -0.197) 0.881 21.245 ( -1.372 0.000 5.316) 5.491 22.010 ( 14.304 0.000 5.482) 15.319 22.372 ( -1.400 0.000 -6.382) 6.534 22.664 ( 1.120 0.000 -0.282) 1.155 22.694 ( 1.649 0.000 1.026) 1.942 22.967 ( -5.281 0.000 0.111) 5.282 23.350 ( -18.130 0.000 -18.054) 25.586 ======================= Grid point 65 (29/108) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( 0.758 19.015 14.982) 24.220 0.784 ( -6.043 19.421 18.412) 27.435 1.156 ( -4.422 33.705 20.014) 39.448 1.871 ( -1.631 -8.661 4.114) 9.727 2.119 ( -0.734 -13.998 2.276) 14.201 2.346 ( 0.014 2.119 -1.270) 2.471 2.744 ( -4.256 3.554 -4.222) 6.969 2.811 ( 1.888 4.790 -1.440) 5.347 2.910 ( 4.100 4.887 -4.788) 7.976 3.027 ( -0.062 -7.794 3.021) 8.359 3.145 ( 2.469 0.745 -2.514) 3.602 3.598 ( 0.773 -1.608 -2.586) 3.141 3.672 ( 0.825 -5.971 -0.690) 6.067 3.832 ( -2.375 -7.504 2.572) 8.281 4.139 ( 2.459 5.775 -8.846) 10.847 4.335 ( 7.994 -0.912 -3.326) 8.706 4.370 ( -0.718 1.892 -3.029) 3.643 4.447 ( -2.379 -0.526 1.296) 2.760 4.572 ( -1.869 -1.086 9.951) 10.183 4.700 ( 6.147 0.264 -2.496) 6.640 4.737 ( 3.331 1.708 -4.817) 6.101 4.869 ( -2.931 -0.049 -1.855) 3.469 5.029 ( -0.654 -1.239 2.414) 2.791 5.179 ( 2.664 -1.379 5.299) 6.089 5.213 ( -1.632 1.462 3.311) 3.970 5.276 ( -9.491 3.563 8.355) 13.137 5.339 ( -3.907 -0.588 5.795) 7.014 5.431 ( -5.405 -2.024 2.657) 6.354 5.634 ( -1.987 -6.497 -1.688) 7.001 5.672 ( 8.430 -11.478 1.160) 14.288 5.814 ( -0.609 7.525 -1.364) 7.672 5.949 ( -0.957 6.898 -2.718) 7.476 6.110 ( 0.867 3.570 -0.573) 3.718 6.133 ( -0.351 0.696 1.475) 1.668 6.240 ( 0.064 7.463 2.209) 7.783 6.382 ( 5.791 0.623 -2.567) 6.365 6.543 ( 4.767 0.070 3.177) 5.729 6.616 ( 0.260 -2.686 -2.995) 4.032 6.664 ( 0.659 -2.156 -2.818) 3.609 6.800 ( 1.281 -2.271 3.028) 3.996 7.200 ( -2.552 1.973 -4.320) 5.392 7.330 ( 0.068 -1.611 0.594) 1.718 7.474 ( -1.543 4.817 1.329) 5.229 7.626 ( 1.393 9.270 -8.534) 12.677 7.832 ( -0.489 -5.025 7.989) 9.451 7.937 ( 1.763 -0.483 -3.365) 3.830 8.061 ( -0.121 0.496 -1.811) 1.881 8.228 ( -7.482 -4.240 4.809) 9.853 10.846 ( -2.660 -1.213 2.218) 3.670 11.077 ( 3.887 -3.869 -1.534) 5.695 11.148 ( 2.604 0.480 -0.616) 2.718 11.225 ( -5.654 -1.923 1.629) 6.190 11.422 ( -4.164 11.276 -9.274) 15.182 11.523 ( -0.507 3.563 -1.832) 4.038 11.747 ( -2.325 -0.864 -2.514) 3.531 11.761 ( -1.153 -0.540 -2.062) 2.423 12.662 ( 1.816 -0.669 2.356) 3.048 12.915 ( 10.813 -10.121 3.905) 15.317 13.140 ( 10.057 -5.280 8.806) 14.372 13.234 ( 0.819 -2.172 3.213) 3.964 20.303 ( 0.394 -1.272 -1.512) 2.015 20.393 ( 1.106 -2.030 -3.388) 4.102 20.645 ( -1.928 2.829 0.507) 3.461 20.781 ( 1.668 3.787 -1.509) 4.405 21.115 ( 0.936 -3.455 4.802) 5.990 21.152 ( -2.511 -3.853 2.250) 5.120 22.039 ( -41.941 22.828 -26.159) 54.447 22.339 ( -3.021 -0.102 -7.040) 7.661 22.562 ( -1.935 4.995 1.241) 5.499 22.683 ( -0.008 -0.227 0.416) 0.474 22.904 ( 0.134 0.903 -0.880) 1.268 23.027 ( 3.914 -1.416 -2.331) 4.771 ======================= Grid point 66 (30/108) ======================= q-point: ( 0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.754 ( 7.052 18.017 12.228) 22.888 0.860 ( 13.374 12.217 14.771) 23.373 1.400 ( 21.926 27.184 12.311) 37.031 1.876 ( 2.616 -10.156 3.123) 10.943 2.119 ( 0.981 -12.475 1.804) 12.643 2.367 ( 2.056 1.839 -0.904) 2.903 2.697 ( 0.351 4.335 -5.425) 6.953 2.871 ( 3.455 2.115 -0.623) 4.098 2.955 ( 1.363 7.969 -1.692) 8.260 3.049 ( 1.790 -5.763 3.393) 6.923 3.190 ( 2.232 0.726 -0.881) 2.507 3.575 ( -2.623 -2.568 -1.549) 3.984 3.676 ( -3.021 -2.031 -2.955) 4.689 3.731 ( -0.818 -12.910 3.687) 13.451 4.132 ( -0.128 8.728 -5.067) 10.093 4.280 ( -6.703 2.548 0.577) 7.194 4.354 ( -4.226 5.825 -2.616) 7.658 4.459 ( -6.759 -1.082 6.836) 9.674 4.514 ( 5.137 -6.796 -0.341) 8.526 4.617 ( -7.013 -4.151 -1.999) 8.391 4.825 ( -10.194 -0.014 6.301) 11.984 4.940 ( 1.457 3.922 -2.242) 4.746 4.975 ( 3.088 0.861 0.575) 3.257 5.047 ( 1.542 2.799 -4.328) 5.380 5.166 ( -7.215 -3.243 9.547) 12.399 5.272 ( 2.991 -0.348 2.195) 3.727 5.332 ( 1.553 -0.066 3.932) 4.228 5.416 ( 2.428 -1.001 -1.905) 3.244 5.598 ( -0.330 -5.796 2.850) 6.467 5.772 ( -3.617 7.940 -7.568) 11.550 5.855 ( -0.976 0.225 -0.745) 1.249 5.947 ( 5.949 -5.777 2.529) 8.670 6.044 ( -4.658 2.325 0.555) 5.235 6.178 ( 4.764 -3.976 2.909) 6.853 6.279 ( 5.642 3.224 4.445) 7.873 6.488 ( -7.304 -3.492 -2.422) 8.450 6.519 ( 4.158 2.649 -0.092) 4.931 6.622 ( -0.015 -0.703 -2.188) 2.298 6.680 ( -2.684 -1.368 -0.294) 3.027 6.923 ( 5.378 -2.305 -1.109) 5.955 7.131 ( -0.841 -0.761 -4.050) 4.206 7.306 ( -2.502 -2.469 -1.368) 3.772 7.448 ( -0.314 4.004 0.723) 4.081 7.676 ( 1.561 9.817 -10.336) 14.341 7.767 ( -5.127 -5.716 8.378) 11.364 7.929 ( -2.972 0.326 -1.825) 3.503 7.994 ( -8.112 3.389 4.886) 10.058 8.094 ( 1.712 0.286 -1.486) 2.285 10.817 ( 0.114 2.105 0.342) 2.136 11.064 ( -4.437 -3.881 2.086) 6.253 11.135 ( -0.815 0.944 1.258) 1.772 11.273 ( 6.350 -2.946 -2.735) 7.515 11.369 ( -0.497 9.312 -3.755) 10.053 11.537 ( 1.947 3.487 -2.489) 4.706 11.730 ( 0.336 -0.903 -2.784) 2.946 11.757 ( 1.334 -0.236 -1.872) 2.311 12.704 ( 2.213 0.044 1.521) 2.686 12.954 ( -1.668 -3.775 -0.075) 4.128 13.214 ( 1.013 -1.647 1.619) 2.522 13.369 ( 0.519 -17.992 16.543) 24.447 20.333 ( 1.993 1.496 -0.729) 2.597 20.444 ( 4.337 -0.794 -3.110) 5.396 20.641 ( 2.807 4.368 -5.386) 7.482 20.811 ( -1.010 3.968 1.002) 4.215 21.011 ( -5.197 5.269 0.520) 7.419 21.207 ( 4.377 -2.074 3.383) 5.908 21.301 ( -14.872 32.696 -10.991) 37.563 22.210 ( -7.936 -2.258 -9.909) 12.895 22.607 ( 1.719 -0.222 -2.264) 2.851 22.661 ( -1.200 -0.490 0.664) 1.456 22.976 ( 5.643 2.345 -1.443) 6.279 23.186 ( 8.007 -2.917 -4.684) 9.724 ======================= Grid point 67 (31/108) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.057 ( 19.649 7.609 3.252) 21.320 1.216 ( 19.394 4.730 11.131) 22.856 1.893 ( 21.554 17.451 6.972) 28.596 1.996 ( 10.686 -9.791 2.460) 14.700 2.173 ( 4.755 -12.526 0.745) 13.419 2.429 ( 3.961 5.206 -0.336) 6.550 2.765 ( 5.832 6.728 -5.587) 10.511 2.943 ( 3.298 3.604 -0.507) 4.912 3.005 ( 3.793 2.190 0.973) 4.487 3.090 ( 2.167 -1.110 0.715) 2.537 3.240 ( 2.471 0.922 1.550) 3.059 3.527 ( -1.190 -5.105 -1.181) 5.374 3.641 ( 1.108 -4.788 -3.027) 5.772 3.777 ( 3.033 -11.527 2.103) 12.103 4.107 ( -3.794 6.115 -0.742) 7.235 4.157 ( -4.509 3.072 1.350) 5.621 4.219 ( -8.859 7.702 -1.015) 11.783 4.316 ( -6.732 1.578 2.245) 7.270 4.457 ( -8.269 -3.331 -0.172) 8.917 4.569 ( -3.218 -6.438 3.261) 7.902 4.627 ( -3.326 -1.779 0.544) 3.811 4.824 ( -11.162 -1.877 5.433) 12.555 4.939 ( -7.408 -1.377 2.219) 7.855 5.044 ( 3.753 -0.438 -2.904) 4.766 5.194 ( 1.865 1.279 -0.962) 2.457 5.292 ( -3.269 1.532 1.101) 3.774 5.383 ( 5.756 4.553 -1.055) 7.414 5.517 ( 6.945 -1.163 -4.087) 8.142 5.586 ( -1.474 -1.635 4.777) 5.260 5.670 ( -3.864 4.675 -2.947) 6.743 5.830 ( -1.092 4.407 0.190) 4.544 5.953 ( 0.392 -4.257 1.603) 4.566 6.092 ( 3.447 -2.268 0.118) 4.128 6.264 ( 1.671 -5.885 3.557) 7.076 6.311 ( -8.076 -2.812 -3.148) 9.113 6.410 ( 4.521 -0.683 1.333) 4.763 6.529 ( -2.464 1.908 0.240) 3.125 6.568 ( -3.898 -0.853 -0.665) 4.046 6.636 ( -2.062 4.842 2.758) 5.942 6.865 ( -4.994 6.465 1.004) 8.231 7.219 ( 3.985 -6.692 -0.344) 7.796 7.228 ( -3.866 -5.236 -4.283) 7.791 7.459 ( 0.313 3.067 -2.207) 3.791 7.589 ( -4.714 2.677 0.352) 5.432 7.729 ( -1.485 -1.394 -0.343) 2.066 7.820 ( -6.704 -0.545 -0.044) 6.726 7.919 ( -0.677 4.476 3.235) 5.564 8.172 ( 4.996 -2.324 -5.599) 7.855 10.835 ( 1.196 -0.038 -0.654) 1.364 10.969 ( -3.973 -2.497 2.258) 5.208 11.142 ( 0.864 0.598 1.691) 1.991 11.374 ( 2.844 4.642 -3.052) 6.242 11.391 ( 2.830 -1.307 -1.002) 3.274 11.597 ( 3.620 3.417 -3.497) 6.083 11.750 ( 1.766 -0.031 -2.082) 2.730 11.814 ( 3.795 -0.463 -1.906) 4.272 12.749 ( 1.990 -0.180 0.319) 2.023 12.897 ( -3.638 -2.848 1.683) 4.918 13.244 ( 1.711 -0.963 1.648) 2.563 13.312 ( -3.255 -5.591 13.772) 15.216 20.363 ( 1.301 0.929 0.596) 1.706 20.561 ( 6.106 -0.850 -0.892) 6.229 20.724 ( -0.474 9.609 -11.537) 15.022 20.770 ( 4.169 -1.256 -0.143) 4.356 21.008 ( -0.038 2.929 6.569) 7.193 21.161 ( 0.438 15.644 -11.566) 19.460 21.346 ( 6.811 -1.999 5.681) 9.092 22.027 ( -9.276 -4.457 -10.434) 14.655 22.622 ( 0.477 -1.035 -1.100) 1.583 22.659 ( 0.834 -0.470 -0.654) 1.159 23.102 ( 6.203 2.699 -1.098) 6.853 23.320 ( 5.323 -2.625 -4.650) 7.540 ======================= Grid point 68 (32/108) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 20.152 2.706 1.821) 20.414 1.613 ( 18.073 1.342 8.101) 19.851 2.141 ( 9.028 -5.692 3.556) 11.250 2.273 ( 8.455 -9.953 -0.413) 13.066 2.421 ( 18.192 4.757 0.092) 18.804 2.527 ( 5.432 7.639 -0.529) 9.388 2.865 ( 1.997 6.981 -2.679) 7.740 3.018 ( 5.016 5.356 3.839) 8.282 3.103 ( 4.690 -1.269 -0.489) 4.883 3.164 ( 6.448 1.523 -3.099) 7.314 3.290 ( 2.286 2.644 5.708) 6.693 3.527 ( 0.761 -5.519 -2.045) 5.934 3.698 ( 3.300 -5.959 -2.149) 7.143 3.826 ( 0.972 -7.012 1.435) 7.223 3.966 ( -10.037 4.558 -0.091) 11.024 4.032 ( -8.874 7.704 1.560) 11.855 4.052 ( -3.929 -3.449 3.363) 6.216 4.229 ( -2.418 2.769 -3.918) 5.373 4.299 ( -5.913 -2.132 5.433) 8.309 4.445 ( -6.614 -4.592 2.215) 8.351 4.546 ( -13.865 -7.988 3.072) 16.294 4.604 ( -1.949 0.449 -0.363) 2.033 4.888 ( 1.049 6.145 0.022) 6.234 5.074 ( -0.290 -2.660 -4.275) 5.043 5.153 ( -4.054 1.102 -0.849) 4.286 5.259 ( -0.324 3.562 -2.219) 4.209 5.456 ( 1.522 1.015 1.324) 2.258 5.550 ( -1.171 -1.566 2.621) 3.270 5.625 ( 1.700 -1.914 0.942) 2.728 5.701 ( 6.170 3.333 -1.577) 7.188 5.808 ( -0.448 3.783 -0.709) 3.875 5.996 ( 2.093 -7.013 1.903) 7.562 6.068 ( -6.296 -1.868 -6.500) 9.240 6.178 ( -1.564 2.341 1.885) 3.388 6.288 ( 0.132 -1.793 1.995) 2.685 6.337 ( -9.489 1.566 1.031) 9.672 6.488 ( -2.309 1.199 2.219) 3.419 6.536 ( -3.200 6.323 2.100) 7.391 6.600 ( 2.627 -3.441 -1.060) 4.457 6.828 ( 0.789 4.744 1.448) 5.022 7.117 ( -4.769 -3.625 -0.417) 6.005 7.285 ( 0.957 -6.260 -1.504) 6.509 7.422 ( -2.589 4.405 -5.795) 7.726 7.559 ( -0.894 -1.319 0.470) 1.661 7.687 ( -3.017 -1.218 2.796) 4.290 7.701 ( -2.373 -3.135 1.922) 4.377 7.917 ( 0.133 6.132 1.378) 6.286 8.269 ( 4.197 -3.898 -6.127) 8.388 10.856 ( 0.773 -2.335 -0.122) 2.463 10.908 ( -1.990 -2.083 1.564) 3.278 11.163 ( 1.026 0.773 1.367) 1.876 11.414 ( 1.557 8.486 -0.591) 8.648 11.450 ( 2.466 -6.008 -2.484) 6.953 11.670 ( 3.302 2.990 -4.422) 6.276 11.798 ( 2.694 0.993 -0.628) 2.939 11.895 ( 3.782 -0.391 -1.982) 4.288 12.781 ( 0.924 -0.912 -0.754) 1.501 12.822 ( -3.147 -1.171 2.503) 4.188 13.269 ( -0.266 -1.108 6.620) 6.717 13.284 ( 0.853 -0.649 3.291) 3.462 20.394 ( 1.711 -1.047 0.554) 2.081 20.653 ( 0.014 -6.378 4.526) 7.820 20.697 ( 1.752 9.756 -4.362) 10.830 20.894 ( 5.912 3.810 -6.675) 9.696 20.987 ( 0.004 2.560 0.048) 2.560 21.212 ( 2.087 6.931 -4.697) 8.629 21.480 ( 5.555 -2.536 6.946) 9.249 21.846 ( -7.452 -4.949 -8.881) 12.605 22.644 ( 1.621 -0.524 -0.623) 1.814 22.688 ( 1.922 -0.692 -1.260) 2.400 23.219 ( 5.024 2.505 -0.819) 5.673 23.410 ( 3.610 -2.005 -3.518) 5.425 ======================= Grid point 69 (33/108) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 13.927 0.801 2.958) 14.261 1.930 ( 12.037 1.937 7.407) 14.265 2.300 ( 5.942 -7.634 2.719) 10.048 2.443 ( 7.798 -6.111 -4.029) 10.695 2.635 ( 4.568 5.994 -0.748) 7.573 2.700 ( 8.557 0.557 -2.588) 8.957 2.854 ( -1.886 4.143 -0.310) 4.562 3.107 ( 2.241 4.596 3.384) 6.132 3.211 ( 6.068 0.937 -1.227) 6.261 3.291 ( -0.380 -0.070 8.483) 8.492 3.369 ( 8.577 6.935 0.492) 11.041 3.546 ( 1.350 -2.942 -4.747) 5.746 3.698 ( -4.479 -0.309 0.960) 4.591 3.769 ( -5.529 3.733 2.315) 7.062 3.841 ( 1.248 -2.758 -1.746) 3.495 3.878 ( -6.628 0.391 2.740) 7.182 4.015 ( -0.218 -7.929 1.680) 8.108 4.153 ( -5.806 -0.802 -0.601) 5.892 4.197 ( -4.715 -3.664 5.146) 7.883 4.291 ( -7.860 -4.483 -0.208) 9.051 4.391 ( 1.147 1.231 1.824) 2.481 4.570 ( -1.032 1.454 0.406) 1.829 4.887 ( -1.900 1.910 0.522) 2.744 5.046 ( -2.053 -3.786 -4.249) 6.050 5.123 ( 1.940 2.880 -4.138) 5.402 5.259 ( 0.194 2.873 -3.688) 4.679 5.446 ( -1.895 -2.780 1.960) 3.894 5.551 ( 0.954 -1.285 1.375) 2.110 5.655 ( -0.519 -0.094 0.777) 0.939 5.750 ( 1.430 2.055 2.156) 3.304 5.836 ( -0.097 0.836 -1.657) 1.859 5.938 ( -2.192 5.940 -4.211) 7.604 6.028 ( -1.296 -2.923 2.144) 3.849 6.136 ( -7.192 1.855 2.539) 7.849 6.181 ( 1.387 -1.229 2.228) 2.898 6.308 ( 0.728 2.584 -0.027) 2.684 6.423 ( -1.700 5.368 1.417) 5.806 6.484 ( -2.930 1.362 -0.558) 3.278 6.656 ( 2.021 -5.967 1.745) 6.538 6.859 ( 1.469 2.997 -0.016) 3.338 7.058 ( -0.627 -3.970 -0.515) 4.052 7.256 ( -3.221 -5.335 -0.534) 6.255 7.390 ( -0.503 2.883 -5.814) 6.509 7.489 ( -4.370 -0.441 -1.315) 4.585 7.658 ( -0.131 -3.127 2.891) 4.260 7.700 ( 0.663 -1.899 3.119) 3.711 7.924 ( 0.556 7.203 1.474) 7.374 8.334 ( 2.188 -4.411 -5.407) 7.313 10.860 ( -0.465 -2.719 1.017) 2.940 10.888 ( -0.035 -3.715 0.390) 3.736 11.182 ( 0.801 1.235 0.800) 1.676 11.437 ( 0.719 6.801 -0.091) 6.839 11.492 ( 1.579 -4.260 -2.445) 5.159 11.726 ( 2.157 2.933 -4.598) 5.865 11.849 ( 2.098 1.569 0.261) 2.633 11.960 ( 2.403 -0.205 -1.812) 3.017 12.756 ( -2.234 -0.282 1.439) 2.673 12.803 ( 0.192 -1.138 -1.038) 1.552 13.262 ( -0.327 0.129 4.837) 4.850 13.308 ( 1.044 -0.740 2.472) 2.783 20.430 ( 1.633 -2.843 0.523) 3.320 20.596 ( -3.811 -5.107 3.310) 7.181 20.751 ( 2.192 10.379 -2.985) 11.020 20.990 ( 2.256 4.220 2.336) 5.325 21.041 ( 5.168 -0.798 -6.693) 8.494 21.214 ( -0.974 3.848 -4.835) 6.255 21.561 ( 2.024 -2.547 7.281) 7.975 21.742 ( -2.093 -4.074 -3.994) 6.077 22.682 ( 1.843 -0.140 -0.263) 1.866 22.730 ( 1.954 -0.762 -1.206) 2.419 23.301 ( 2.858 2.305 -0.702) 3.738 23.470 ( 2.271 -1.616 -2.479) 3.730 ======================= Grid point 70 (34/108) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -1.710 1.329 4.099) 4.636 2.091 ( 2.457 3.871 8.804) 9.926 2.386 ( 2.549 -9.539 1.974) 10.069 2.564 ( 3.798 -0.925 -7.066) 8.076 2.685 ( -0.453 -1.478 -1.042) 1.864 2.774 ( -1.358 3.222 1.098) 3.664 2.860 ( 4.000 4.217 -4.396) 7.287 3.076 ( -6.155 0.785 3.730) 7.240 3.195 ( -6.022 0.327 6.987) 9.230 3.329 ( 3.438 0.310 -1.875) 3.929 3.439 ( -2.458 8.044 1.513) 8.546 3.607 ( 0.258 -1.449 -1.274) 1.947 3.675 ( 4.265 -1.247 0.668) 4.494 3.728 ( -2.686 0.629 3.206) 4.230 3.749 ( 2.591 3.465 0.962) 4.432 3.924 ( 4.695 -0.767 0.314) 4.768 3.955 ( -7.087 -4.366 2.318) 8.641 4.055 ( 0.914 -6.708 1.392) 6.912 4.140 ( -3.257 0.179 -0.255) 3.272 4.229 ( 2.942 -5.048 2.300) 6.280 4.448 ( 0.997 -1.003 1.698) 2.210 4.567 ( 1.805 4.176 1.475) 4.783 4.859 ( 0.529 -3.686 -0.069) 3.724 5.032 ( 0.733 -1.933 -2.257) 3.061 5.158 ( -0.162 0.405 -6.959) 6.972 5.244 ( -1.187 -0.305 -4.831) 4.984 5.418 ( -0.144 1.105 1.617) 1.964 5.553 ( -4.158 1.511 -0.609) 4.466 5.600 ( 0.451 1.643 -0.577) 1.799 5.772 ( -4.084 3.336 0.901) 5.349 5.838 ( 4.931 1.763 2.139) 5.657 5.956 ( 4.286 5.974 -0.308) 7.359 5.987 ( -1.559 1.000 3.780) 4.210 6.075 ( 0.290 -3.499 1.406) 3.782 6.229 ( 1.662 -0.209 2.018) 2.622 6.302 ( -1.643 2.181 3.281) 4.268 6.400 ( -1.040 2.571 -3.360) 4.357 6.450 ( 0.676 4.070 -2.028) 4.597 6.681 ( 0.541 -5.460 4.334) 6.992 6.868 ( -0.817 0.363 -1.059) 1.386 7.088 ( 2.922 -4.731 0.087) 5.561 7.178 ( -3.798 -4.584 -1.479) 6.134 7.392 ( 0.771 1.209 -4.849) 5.057 7.423 ( -1.563 -0.506 -2.804) 3.249 7.669 ( 0.867 -1.667 3.740) 4.185 7.698 ( -0.866 -0.979 1.496) 1.987 7.935 ( 0.215 7.093 1.948) 7.358 8.355 ( -0.019 -4.418 -4.851) 6.561 10.848 ( -0.638 -2.298 0.662) 2.475 10.894 ( 0.360 -5.956 0.561) 5.993 11.193 ( 0.208 1.754 0.539) 1.847 11.447 ( 0.273 5.931 -0.098) 5.939 11.512 ( 0.410 -2.780 -2.026) 3.464 11.753 ( 0.536 3.332 -4.271) 5.443 11.879 ( 0.710 1.454 0.785) 1.798 11.989 ( 0.446 -0.101 -1.482) 1.551 12.716 ( -1.711 0.378 0.815) 1.933 12.799 ( -0.597 -1.481 -1.781) 2.392 13.254 ( -0.610 0.631 3.394) 3.506 13.327 ( 0.789 -1.019 3.181) 3.432 20.450 ( -0.306 -3.510 1.508) 3.832 20.526 ( -2.316 -4.232 -0.085) 4.825 20.790 ( 1.682 8.972 -2.954) 9.594 20.957 ( -5.051 2.133 2.477) 6.016 21.131 ( 2.573 1.321 -5.101) 5.864 21.254 ( 5.723 1.927 -4.441) 7.496 21.564 ( -1.715 -1.662 6.691) 7.105 21.763 ( 4.009 -3.724 1.295) 5.623 22.709 ( 0.575 0.009 0.191) 0.606 22.756 ( 0.353 -0.737 -0.905) 1.219 23.332 ( 0.162 2.338 -0.646) 2.431 23.503 ( 1.069 -1.618 -1.667) 2.558 ======================= Grid point 71 (35/108) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( -13.836 1.864 5.338) 14.946 2.014 ( -9.458 7.706 7.556) 14.351 2.381 ( -3.807 -10.183 5.057) 11.990 2.580 ( -4.987 -10.176 -1.796) 11.474 2.610 ( -4.834 5.957 -1.557) 7.828 2.736 ( -1.037 1.540 -3.240) 3.734 2.921 ( -5.681 3.144 0.521) 6.514 2.942 ( 1.551 1.969 -2.813) 3.768 3.048 ( -8.903 1.282 5.381) 10.482 3.292 ( -6.758 1.161 -1.096) 6.944 3.372 ( -4.216 6.086 4.524) 8.676 3.571 ( -0.539 -5.646 -1.132) 5.784 3.694 ( 3.200 1.982 -0.523) 3.800 3.801 ( 0.173 0.125 2.949) 2.956 3.814 ( -1.381 0.380 -0.140) 1.439 3.936 ( 9.792 -0.185 -0.838) 9.829 3.943 ( -1.159 -1.169 -0.861) 1.858 4.107 ( 0.811 1.567 -2.971) 3.455 4.189 ( 9.190 -5.316 5.944) 12.167 4.360 ( 9.198 -7.311 2.258) 11.964 4.417 ( -1.193 0.255 3.814) 4.004 4.647 ( 4.560 1.231 2.646) 5.414 4.908 ( 2.742 -0.909 1.559) 3.283 5.052 ( -2.151 0.511 -6.159) 6.544 5.091 ( -0.264 -0.446 -3.311) 3.351 5.254 ( 0.765 -5.431 -3.821) 6.685 5.429 ( 0.680 6.814 1.806) 7.082 5.471 ( -1.564 -0.255 -1.049) 1.900 5.659 ( 2.664 1.820 0.164) 3.230 5.707 ( -0.877 4.976 -0.083) 5.053 5.903 ( 2.617 0.941 -0.958) 2.941 5.988 ( 0.949 4.589 1.561) 4.939 6.076 ( 1.069 -4.441 4.236) 6.230 6.143 ( 9.990 0.535 -0.160) 10.006 6.183 ( -4.421 0.991 3.302) 5.606 6.299 ( 0.997 1.128 3.304) 3.631 6.378 ( -1.730 3.518 -4.450) 5.931 6.491 ( 2.849 4.184 -1.904) 5.408 6.685 ( -0.166 -5.447 3.893) 6.697 6.821 ( -3.721 -0.697 0.179) 3.790 7.098 ( -1.667 -3.168 -0.314) 3.594 7.181 ( 3.934 -4.561 -1.364) 6.176 7.408 ( 1.199 0.004 -4.876) 5.022 7.442 ( 3.249 -1.751 -3.807) 5.303 7.651 ( -2.311 1.491 1.943) 3.367 7.716 ( 2.460 -1.697 3.477) 4.585 7.928 ( -0.837 6.654 1.661) 6.909 8.332 ( -2.140 -4.297 -4.795) 6.785 10.837 ( -0.355 -2.350 0.044) 2.377 10.901 ( 0.303 -7.365 0.804) 7.415 11.191 ( -0.465 2.246 0.703) 2.399 11.450 ( 0.090 5.949 -0.139) 5.951 11.507 ( -0.829 -1.778 -1.624) 2.547 11.745 ( -1.287 4.004 -3.683) 5.591 11.879 ( -0.603 0.711 1.169) 1.495 11.977 ( -1.556 -0.170 -1.024) 1.870 12.681 ( -1.804 0.651 -0.165) 1.926 12.778 ( -1.452 -1.548 -2.086) 2.976 13.237 ( -1.201 1.040 2.880) 3.289 13.341 ( 0.386 -1.386 3.942) 4.196 20.413 ( -2.540 -2.042 1.298) 3.508 20.508 ( -0.311 -6.190 -2.698) 6.759 20.814 ( -0.090 6.990 -1.510) 7.152 20.839 ( -4.830 4.760 -0.246) 6.786 21.159 ( 0.514 0.072 -4.137) 4.169 21.373 ( 3.318 -1.810 -0.397) 3.800 21.523 ( -0.226 3.253 6.366) 7.153 21.898 ( 8.723 -3.982 3.125) 10.085 22.703 ( -1.042 -0.047 0.430) 1.129 22.741 ( -1.693 -0.626 -0.850) 1.995 23.307 ( -2.537 2.652 -0.559) 3.713 23.514 ( 0.016 -2.155 -1.130) 2.434 ======================= Grid point 72 (36/108) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -18.487 4.531 6.113) 19.992 1.741 ( -16.515 9.727 8.101) 20.808 2.242 ( -9.186 -8.164 6.078) 13.711 2.365 ( -11.956 -14.485 6.281) 19.805 2.528 ( -4.776 7.552 -1.122) 9.005 2.651 ( -15.246 1.114 6.742) 16.707 2.783 ( -4.007 2.970 -4.354) 6.620 2.864 ( -0.905 1.294 -8.229) 8.379 3.009 ( 0.410 4.042 2.031) 4.542 3.143 ( -6.129 0.635 -2.590) 6.684 3.261 ( -6.719 4.992 3.984) 9.271 3.571 ( -0.751 -5.059 -1.590) 5.356 3.681 ( -2.435 -4.422 -1.244) 5.199 3.799 ( -1.475 -3.672 0.646) 4.009 3.875 ( 6.339 2.020 -1.775) 6.886 3.944 ( 2.832 2.731 -2.879) 4.876 4.064 ( 1.166 7.690 -0.758) 7.814 4.224 ( 10.345 -3.600 -5.702) 12.349 4.305 ( 3.056 -4.907 6.794) 8.921 4.520 ( 9.938 -1.229 7.189) 12.327 4.588 ( 11.630 -8.866 3.199) 14.970 4.734 ( 3.730 -1.150 4.225) 5.752 4.865 ( -5.015 6.418 -0.866) 8.191 5.065 ( 4.377 -0.386 -1.954) 4.809 5.147 ( 2.962 -1.952 -1.664) 3.918 5.248 ( -1.108 -4.256 -1.917) 4.797 5.431 ( -1.753 2.593 -1.896) 3.659 5.492 ( 4.403 7.283 1.585) 8.657 5.666 ( 0.754 -0.052 2.376) 2.493 5.764 ( 3.394 4.523 -0.106) 5.656 5.955 ( -1.594 1.355 3.159) 3.789 5.957 ( -1.941 -1.993 0.818) 2.900 6.074 ( -1.655 -0.209 -1.481) 2.231 6.162 ( 5.547 0.455 -0.102) 5.567 6.275 ( -3.067 3.450 4.077) 6.159 6.334 ( -0.475 -1.133 -4.130) 4.309 6.385 ( 8.951 1.314 -1.044) 9.107 6.549 ( 2.301 3.381 -2.001) 4.553 6.670 ( -1.967 -4.129 0.536) 4.605 6.731 ( -3.699 -1.567 3.967) 5.646 7.101 ( 2.026 -0.645 -0.784) 2.266 7.255 ( 2.915 -4.747 0.453) 5.589 7.458 ( 3.714 -0.303 -6.293) 7.313 7.523 ( 3.565 -1.478 -3.809) 5.422 7.616 ( 0.083 3.394 1.749) 3.819 7.770 ( 1.882 -1.745 5.130) 5.736 7.923 ( 1.497 4.879 0.889) 5.180 8.270 ( -3.629 -4.201 -5.127) 7.556 10.838 ( 0.614 -2.485 -0.646) 2.640 10.906 ( 0.138 -8.260 0.967) 8.318 11.177 ( -0.838 2.596 1.079) 2.933 11.450 ( -0.223 3.880 -0.296) 3.897 11.480 ( -1.596 1.570 -1.243) 2.561 11.701 ( -2.823 4.582 -2.873) 6.100 11.859 ( -1.347 -0.280 1.180) 1.813 11.928 ( -3.060 -0.313 -0.413) 3.103 12.639 ( -2.379 0.853 -1.168) 2.784 12.740 ( -2.122 -1.437 -2.019) 3.263 13.204 ( -2.061 1.490 2.886) 3.847 13.340 ( -0.626 -1.715 4.508) 4.864 20.365 ( -2.007 -1.648 -0.173) 2.602 20.487 ( -1.835 -6.330 -3.721) 7.568 20.740 ( -3.091 4.823 -0.017) 5.729 20.823 ( -0.454 7.487 -2.034) 7.772 21.157 ( -0.534 -2.209 -1.823) 2.913 21.326 ( -5.168 -4.074 1.573) 6.766 21.633 ( 8.750 7.966 6.616) 13.557 22.101 ( 10.300 -3.952 2.599) 11.334 22.673 ( -1.606 -0.277 0.163) 1.638 22.694 ( -2.538 -0.447 -0.961) 2.751 23.231 ( -4.761 3.028 -0.455) 5.661 23.503 ( -1.210 -3.450 -1.268) 3.870 ======================= Grid point 73 (37/108) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -17.959 9.828 8.192) 22.051 1.369 ( -19.067 11.890 10.835) 24.946 2.026 ( -15.718 -3.519 6.040) 17.203 2.075 ( -15.064 0.498 13.474) 20.217 2.296 ( -11.869 -12.062 6.932) 18.287 2.434 ( -4.237 7.934 0.522) 9.010 2.748 ( -0.627 4.720 -6.714) 8.231 2.893 ( 1.730 -1.385 -12.493) 12.688 2.951 ( -4.820 2.118 1.279) 5.418 3.083 ( -0.621 -0.493 -0.959) 1.245 3.115 ( -6.406 3.833 2.192) 7.780 3.537 ( -1.225 -2.839 0.040) 3.092 3.668 ( 0.477 -5.777 -3.091) 6.569 3.756 ( -1.341 -9.233 2.913) 9.775 3.974 ( 3.275 6.285 -1.981) 7.359 4.044 ( 3.578 6.805 -5.774) 9.615 4.129 ( 8.943 3.295 -5.257) 10.884 4.353 ( 3.475 -3.553 2.174) 5.424 4.470 ( 10.587 -2.674 -1.262) 10.992 4.651 ( -0.475 -3.609 3.866) 5.310 4.764 ( -1.091 -2.804 4.142) 5.120 4.778 ( 7.118 -1.151 6.793) 9.907 4.892 ( 8.361 -1.928 2.251) 8.871 5.151 ( 3.020 1.484 0.533) 3.407 5.159 ( -3.463 -0.297 -1.078) 3.639 5.236 ( 2.587 -0.489 2.128) 3.385 5.418 ( 1.452 -1.210 -3.783) 4.229 5.577 ( 1.646 6.027 2.989) 6.926 5.710 ( 0.751 -0.453 2.680) 2.820 5.793 ( 0.134 4.534 2.468) 5.164 5.879 ( -3.005 1.592 3.783) 5.087 5.914 ( 1.117 1.550 -0.391) 1.950 6.100 ( -1.602 -2.594 -1.504) 3.400 6.182 ( -1.938 3.089 3.122) 4.800 6.233 ( -3.106 2.609 -5.104) 6.520 6.320 ( 1.301 -2.884 -2.076) 3.784 6.527 ( -0.794 0.480 -3.861) 3.971 6.558 ( 3.431 1.518 -4.485) 5.847 6.628 ( -0.108 -2.538 -0.039) 2.540 6.733 ( 2.664 -1.999 7.974) 8.641 7.160 ( 3.162 0.100 -0.572) 3.215 7.299 ( 1.430 -3.938 1.122) 4.337 7.504 ( -0.080 2.267 -3.415) 4.100 7.586 ( 3.564 3.607 -4.189) 6.577 7.687 ( 5.520 -0.447 -2.363) 6.022 7.791 ( 1.343 0.555 5.364) 5.558 8.016 ( 6.518 -0.214 2.679) 7.051 8.193 ( -3.074 -4.428 -4.914) 7.294 10.869 ( 2.469 -3.141 -1.128) 4.151 10.907 ( 0.083 -8.015 0.926) 8.068 11.159 ( -0.874 2.540 1.280) 2.976 11.418 ( -2.981 -5.153 -0.446) 5.970 11.468 ( 0.576 11.781 -1.938) 11.953 11.633 ( -3.572 4.698 -2.042) 6.245 11.827 ( -1.813 -0.994 0.602) 2.153 11.861 ( -3.151 -0.332 0.186) 3.174 12.587 ( -2.257 1.268 -0.346) 2.611 12.696 ( -1.870 -1.059 -1.490) 2.615 13.154 ( -2.762 1.897 3.014) 4.507 13.314 ( -1.989 -1.875 4.453) 5.225 20.330 ( -1.369 -1.653 -1.191) 2.455 20.438 ( -2.512 -4.637 -4.105) 6.683 20.700 ( -1.164 4.115 -0.516) 4.307 20.802 ( -1.406 6.624 -1.942) 7.045 21.134 ( -1.782 -3.429 -0.668) 3.922 21.235 ( -3.040 -3.682 3.187) 5.741 21.849 ( 12.107 9.411 7.099) 16.898 22.293 ( 7.492 -2.805 0.014) 8.000 22.648 ( -0.495 -0.650 -0.462) 0.938 22.655 ( -0.811 -0.561 -0.158) 0.999 23.117 ( -6.186 2.975 -0.435) 6.878 23.451 ( -4.455 -5.840 -3.752) 8.248 ======================= Grid point 74 (38/108) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -9.779 17.515 12.662) 23.722 1.001 ( -15.691 16.963 14.675) 27.373 1.525 ( -25.608 21.225 19.170) 38.389 1.925 ( -4.041 -7.136 6.073) 10.205 2.156 ( -3.598 -17.838 3.690) 18.567 2.368 ( -2.162 5.589 -0.273) 5.998 2.769 ( 2.750 8.469 -6.675) 11.128 2.838 ( -3.692 -1.327 -2.418) 4.609 2.880 ( -3.740 4.142 -3.509) 6.592 3.047 ( -1.413 -5.211 0.191) 5.403 3.090 ( 2.171 1.012 -1.922) 3.071 3.555 ( 2.599 -1.577 -1.695) 3.481 3.667 ( -0.309 -4.696 -1.035) 4.818 3.787 ( 3.984 -10.479 3.562) 11.763 4.031 ( 3.819 9.443 -5.670) 11.658 4.152 ( 7.568 2.953 -3.014) 8.665 4.340 ( 7.179 -1.963 -7.243) 10.385 4.433 ( 7.085 2.259 -0.470) 7.452 4.554 ( -5.197 3.327 3.795) 7.244 4.647 ( 1.134 -4.664 0.209) 4.805 4.732 ( 0.506 0.887 3.744) 3.881 4.917 ( 4.052 -5.791 3.582) 7.924 4.985 ( 0.378 0.767 -0.959) 1.285 5.110 ( 0.642 -3.198 3.978) 5.144 5.192 ( 1.607 2.190 1.922) 3.328 5.316 ( 3.554 1.021 6.666) 7.623 5.489 ( 4.320 -7.639 -1.661) 8.931 5.514 ( -6.460 2.843 7.312) 10.163 5.613 ( -7.041 -4.108 4.147) 9.146 5.824 ( -4.419 3.184 -1.343) 5.610 5.856 ( -4.484 2.823 -7.893) 9.507 5.917 ( -0.691 2.519 2.869) 3.880 6.040 ( 4.875 5.605 -0.249) 7.433 6.143 ( -2.079 2.659 -0.616) 3.431 6.192 ( 1.145 3.348 3.578) 5.032 6.365 ( 0.767 -2.196 -2.908) 3.724 6.467 ( -0.422 3.272 -3.060) 4.500 6.626 ( -0.458 -2.048 -1.327) 2.483 6.649 ( 2.546 -1.496 -1.669) 3.392 6.783 ( 1.384 -3.569 5.307) 6.543 7.211 ( 1.370 0.940 -2.221) 2.774 7.319 ( 0.648 -2.074 1.572) 2.682 7.494 ( -0.544 3.706 -1.142) 3.916 7.620 ( 0.184 6.622 -6.145) 9.036 7.793 ( 3.828 -2.755 2.836) 5.503 7.863 ( 4.960 0.595 -0.196) 4.999 8.080 ( -1.224 -0.771 -2.222) 2.651 8.222 ( 5.464 -6.592 2.753) 8.994 10.889 ( -1.063 -7.020 2.113) 7.407 10.960 ( 5.374 -3.190 -2.495) 6.730 11.143 ( -0.649 2.046 0.999) 2.367 11.338 ( -4.829 -4.066 0.478) 6.331 11.479 ( -0.279 11.246 -7.171) 13.341 11.561 ( -3.082 4.160 -1.747) 5.464 11.789 ( -1.581 -1.019 -0.181) 1.890 11.805 ( -2.568 -0.557 -1.264) 2.916 12.593 ( 4.521 0.033 6.896) 8.246 12.682 ( 1.854 -0.119 0.186) 1.867 13.101 ( -2.018 2.122 3.212) 4.346 13.266 ( -2.461 -1.767 3.504) 4.632 20.309 ( -0.705 -1.863 -1.664) 2.595 20.396 ( -1.223 -3.249 -3.974) 5.277 20.679 ( -1.148 3.236 0.136) 3.436 20.774 ( -0.868 5.162 -2.309) 5.721 21.101 ( -0.672 -2.977 0.261) 3.064 21.197 ( -1.502 -4.370 4.920) 6.750 22.130 ( 14.218 8.857 0.683) 16.765 22.369 ( -0.368 -0.332 -5.948) 5.968 22.652 ( 0.717 -0.908 -0.055) 1.159 22.682 ( 2.429 -1.155 1.576) 3.118 22.987 ( -6.059 1.989 -0.621) 6.407 23.256 ( -16.423 -7.016 -11.046) 20.999 ======================= Grid point 75 (39/108) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( -1.904 20.429 10.370) 22.989 1.226 ( -2.998 24.150 10.741) 26.600 1.509 ( -2.547 -17.828 5.843) 18.933 1.705 ( -0.393 -21.224 6.220) 22.120 1.930 ( -2.765 30.854 10.221) 32.621 2.496 ( -2.491 -16.378 3.321) 16.895 2.694 ( 0.048 13.394 2.809) 13.686 2.892 ( 0.947 -3.051 -2.766) 4.226 2.909 ( -0.564 2.993 -4.868) 5.742 3.005 ( 5.748 0.025 -8.252) 10.057 3.145 ( 0.904 1.810 -1.116) 2.310 3.350 ( -1.087 -17.396 4.103) 17.906 3.666 ( 0.339 3.392 -1.875) 3.890 3.737 ( -0.164 -3.199 -2.452) 4.034 4.239 ( 2.534 3.307 -7.343) 8.442 4.291 ( 4.704 -2.360 -5.898) 7.905 4.435 ( 2.502 3.499 -1.595) 4.587 4.466 ( -1.161 0.807 0.158) 1.423 4.605 ( -4.747 2.279 6.439) 8.318 4.648 ( -3.268 -2.441 3.526) 5.392 4.845 ( 7.728 5.106 -2.673) 9.640 4.893 ( 2.493 2.674 -5.311) 6.447 5.064 ( 2.809 2.001 1.471) 3.749 5.116 ( 4.040 -1.002 3.587) 5.494 5.154 ( -4.906 -4.532 1.688) 6.889 5.273 ( 4.193 -8.070 1.502) 9.218 5.365 ( -12.497 3.924 8.366) 15.542 5.405 ( -7.357 0.892 5.310) 9.117 5.474 ( 5.638 -4.077 2.945) 7.555 5.518 ( -6.251 -5.628 5.079) 9.826 5.959 ( -0.260 6.274 -3.044) 6.978 6.027 ( -0.817 0.329 -4.087) 4.181 6.146 ( -1.367 0.583 0.979) 1.780 6.155 ( -2.260 0.141 -0.763) 2.390 6.371 ( 5.690 4.522 2.207) 7.596 6.391 ( 6.336 1.878 -0.081) 6.609 6.535 ( -1.411 -1.988 -2.767) 3.688 6.566 ( -4.031 -3.404 -2.186) 5.711 6.639 ( 3.671 2.774 2.148) 5.078 6.725 ( 2.549 -4.637 4.739) 7.103 7.246 ( -1.531 2.470 -3.805) 4.788 7.293 ( -0.809 -2.145 -2.341) 3.277 7.586 ( -1.385 6.115 5.142) 8.108 7.710 ( -1.215 -5.882 8.605) 10.494 7.790 ( 1.708 6.170 -7.526) 9.881 7.894 ( 1.825 -3.884 -6.122) 7.476 8.095 ( -0.031 2.679 2.159) 3.441 8.155 ( -1.619 -3.221 4.395) 5.685 10.879 ( 1.312 3.761 -0.372) 4.001 10.976 ( 3.070 -5.485 -1.580) 6.481 11.166 ( -0.472 1.190 0.476) 1.366 11.192 ( -2.433 -1.391 1.046) 2.991 11.564 ( -2.831 3.614 -7.083) 8.441 11.583 ( -1.129 1.607 -4.154) 4.595 11.733 ( -2.010 -0.228 -2.086) 2.906 11.744 ( -1.087 -1.027 -1.782) 2.326 12.669 ( 2.955 1.774 3.752) 5.095 12.742 ( 5.766 -5.826 5.051) 9.628 13.138 ( 0.735 2.132 3.461) 4.131 13.188 ( -0.386 -2.564 2.642) 3.702 20.308 ( 1.891 1.336 -3.406) 4.118 20.347 ( 2.005 -2.344 -3.978) 5.033 20.750 ( -1.777 6.422 0.427) 6.677 20.836 ( -0.044 -0.165 -2.767) 2.772 21.038 ( -0.348 -2.172 6.296) 6.669 21.071 ( 0.574 -3.892 2.108) 4.464 22.270 ( -12.735 4.937 -14.320) 19.789 22.326 ( -5.842 -1.388 -9.111) 10.911 22.649 ( -3.108 2.701 0.584) 4.159 22.677 ( -0.988 -0.525 1.321) 1.732 22.938 ( 0.948 2.404 -2.695) 3.733 22.988 ( 2.105 -2.379 -3.067) 4.416 ======================= Grid point 76 (40/108) ======================= q-point: ( 0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 4.309 17.288 10.712) 20.790 1.199 ( 1.930 21.009 7.955) 22.547 1.542 ( 5.442 -15.813 4.992) 17.453 1.711 ( 1.535 -21.844 5.909) 22.681 2.032 ( 11.571 28.193 5.914) 31.044 2.525 ( 5.602 -15.598 0.193) 16.575 2.725 ( 2.406 19.387 2.859) 19.743 2.920 ( 2.378 3.398 -4.318) 5.987 2.955 ( 4.460 -3.171 -1.915) 5.798 3.113 ( 4.426 2.558 -3.856) 6.403 3.139 ( -1.087 -3.909 1.283) 4.255 3.338 ( -0.230 -16.620 2.275) 16.777 3.617 ( -3.821 1.391 -0.151) 4.069 3.655 ( -5.554 -1.497 -1.765) 6.017 4.268 ( 0.630 5.318 -5.921) 7.984 4.360 ( -5.998 4.364 -2.209) 7.740 4.372 ( 2.830 -4.357 -2.592) 5.806 4.449 ( -4.357 -0.914 -0.582) 4.489 4.485 ( -4.563 2.273 3.944) 6.446 4.534 ( -6.952 -3.000 2.603) 8.006 4.844 ( -8.809 4.708 1.588) 10.114 4.982 ( -3.914 -5.015 1.995) 6.668 5.029 ( -0.618 2.200 0.078) 2.286 5.062 ( -7.201 3.349 4.099) 8.938 5.155 ( 1.586 1.417 3.363) 3.979 5.255 ( 1.375 -5.802 5.611) 8.188 5.312 ( 6.866 3.742 -1.264) 7.921 5.391 ( 4.490 -2.278 -0.601) 5.070 5.518 ( 3.208 0.736 2.317) 4.025 5.651 ( 10.099 -11.204 -1.440) 15.152 5.927 ( -3.103 4.135 -3.077) 6.016 5.952 ( -5.305 1.391 -2.346) 5.965 6.093 ( -3.652 2.547 0.610) 4.494 6.140 ( 0.033 -1.769 1.491) 2.314 6.365 ( -0.769 4.515 2.983) 5.466 6.431 ( -6.566 -2.237 -1.483) 7.093 6.545 ( 3.895 0.721 -0.537) 3.997 6.588 ( 2.668 -2.885 -3.245) 5.096 6.704 ( 2.478 3.933 3.409) 5.765 6.811 ( 5.914 -6.371 4.432) 9.758 7.184 ( -4.245 3.655 -3.537) 6.625 7.252 ( -3.175 -3.026 -2.884) 5.249 7.542 ( -2.158 5.138 4.188) 6.971 7.649 ( -3.907 -5.530 7.387) 10.021 7.826 ( 0.201 5.343 -8.018) 9.637 7.907 ( -1.958 -2.673 -5.665) 6.562 8.048 ( -4.254 2.445 4.378) 6.576 8.087 ( -1.837 -1.205 3.291) 3.957 10.879 ( -1.083 4.038 0.577) 4.220 10.972 ( -2.848 -4.961 1.127) 5.830 11.167 ( 0.786 2.078 -0.026) 2.222 11.214 ( 3.461 -2.646 -1.083) 4.489 11.525 ( -0.612 5.551 -6.700) 8.723 11.582 ( 1.104 0.050 -5.032) 5.152 11.720 ( 0.881 0.361 -1.747) 1.989 11.742 ( 1.272 -1.262 -1.424) 2.288 12.725 ( 2.255 2.564 3.183) 4.668 12.821 ( 1.354 -7.070 4.488) 8.483 13.180 ( 2.425 -0.222 4.286) 4.929 13.206 ( 1.757 -2.569 4.239) 5.258 20.370 ( 3.495 2.141 -1.487) 4.360 20.414 ( 4.370 -2.061 -2.453) 5.419 20.727 ( 0.207 5.182 -2.446) 5.734 20.824 ( -1.582 -3.220 -3.132) 4.762 21.043 ( 1.960 3.120 6.066) 7.098 21.130 ( 4.482 -4.676 4.518) 7.897 21.877 ( -19.199 19.229 -15.826) 31.446 22.123 ( -12.050 -7.170 -11.895) 18.388 22.614 ( -0.426 1.001 -0.688) 1.287 22.641 ( -1.193 -1.402 0.633) 1.947 23.038 ( 6.572 3.670 -2.363) 7.889 23.115 ( 7.401 -3.877 -3.154) 8.930 ======================= Grid point 77 (41/108) ======================= q-point: ( 0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 10.773 12.898 5.399) 17.651 1.359 ( 11.847 7.585 8.574) 16.474 1.718 ( 11.095 -11.210 5.162) 16.595 1.807 ( 8.122 -16.999 4.726) 19.423 2.336 ( 15.754 20.927 2.201) 26.286 2.701 ( 9.052 -13.394 -0.134) 16.167 2.783 ( 4.178 22.773 0.297) 23.155 2.992 ( 3.545 1.743 -2.197) 4.520 3.050 ( 4.292 0.699 -0.535) 4.382 3.111 ( 1.537 2.344 1.048) 2.992 3.220 ( 4.894 -3.605 0.662) 6.114 3.334 ( 0.006 -14.399 0.097) 14.399 3.577 ( 0.465 -1.870 -1.271) 2.309 3.587 ( 0.063 -3.287 0.006) 3.288 4.195 ( -7.579 4.363 -0.211) 8.748 4.234 ( -6.871 2.873 -3.065) 8.054 4.363 ( -2.317 1.209 4.056) 4.825 4.375 ( -7.345 -0.424 0.451) 7.371 4.394 ( -5.171 2.181 -0.790) 5.667 4.429 ( -0.804 -4.205 -0.917) 4.378 4.593 ( -9.904 1.068 1.861) 10.134 4.711 ( -15.758 -7.773 6.568) 18.758 5.000 ( -0.842 5.236 0.015) 5.303 5.063 ( 0.946 0.087 -1.158) 1.497 5.209 ( 1.428 1.257 1.948) 2.723 5.266 ( -0.978 -3.302 4.576) 5.727 5.473 ( 5.457 1.765 -2.839) 6.400 5.492 ( 5.310 -1.038 -3.102) 6.237 5.603 ( 3.393 6.488 2.242) 7.657 5.751 ( -1.172 -0.780 -5.242) 5.428 5.852 ( -3.816 -4.166 0.752) 5.699 5.865 ( -0.894 -1.889 -0.681) 2.198 6.055 ( 0.763 2.583 -0.216) 2.701 6.147 ( 0.579 -5.529 1.329) 5.716 6.316 ( -3.745 2.211 0.302) 4.359 6.370 ( 0.538 -2.794 1.411) 3.176 6.562 ( -1.638 1.099 -1.915) 2.749 6.570 ( -3.819 0.237 -0.532) 3.863 6.764 ( 2.544 7.754 3.929) 9.057 6.912 ( 1.511 -4.569 1.759) 5.124 7.104 ( -1.715 0.409 -1.943) 2.623 7.164 ( -4.817 -3.515 -0.799) 6.016 7.520 ( -0.069 3.083 0.981) 3.236 7.580 ( -2.744 -2.580 2.767) 4.673 7.747 ( -6.215 2.378 -2.498) 7.108 7.794 ( -7.462 -1.956 -1.503) 7.859 8.017 ( 0.863 4.938 1.893) 5.359 8.108 ( 2.729 -3.987 -0.799) 4.897 10.853 ( -1.249 1.907 1.548) 2.755 10.907 ( -2.953 -3.248 2.249) 4.932 11.193 ( 1.429 3.837 -0.596) 4.138 11.282 ( 2.774 -4.913 -1.658) 5.881 11.536 ( 1.623 6.363 -4.999) 8.253 11.620 ( 2.480 -1.654 -5.550) 6.300 11.763 ( 3.154 1.504 -0.958) 3.623 11.796 ( 3.713 -1.416 -1.277) 4.174 12.759 ( 1.050 1.597 1.854) 2.663 12.819 ( -1.153 -4.108 3.205) 5.336 13.226 ( 1.939 -0.295 3.744) 4.227 13.241 ( 1.333 -1.768 4.995) 5.464 20.418 ( 0.989 3.918 2.170) 4.587 20.502 ( 3.259 -4.076 1.453) 5.418 20.772 ( 3.371 1.242 -3.878) 5.286 20.797 ( 1.038 -0.496 -8.351) 8.430 21.111 ( 3.376 6.454 7.748) 10.634 21.235 ( 4.808 -5.365 6.230) 9.524 21.580 ( -9.011 18.684 -13.808) 24.919 21.878 ( -10.756 -10.849 -11.881) 19.354 22.616 ( 0.682 0.519 -0.761) 1.146 22.638 ( 0.695 -1.373 -0.215) 1.554 23.171 ( 6.131 3.988 -2.062) 7.599 23.252 ( 5.872 -3.945 -3.234) 7.779 ======================= Grid point 78 (42/108) ======================= q-point: ( 0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.571 ( 15.922 5.922 2.515) 17.173 1.645 ( 15.074 0.296 6.724) 16.509 1.972 ( 12.548 -5.676 4.692) 14.549 2.030 ( 12.663 -10.368 2.789) 16.602 2.600 ( 8.609 10.822 0.538) 13.839 2.757 ( -0.818 1.041 0.498) 1.414 2.951 ( 7.001 10.503 -0.340) 12.627 3.069 ( 6.147 0.262 0.437) 6.168 3.163 ( 7.478 2.299 -0.396) 7.834 3.205 ( 5.663 5.210 -0.615) 7.720 3.312 ( 4.056 -2.206 3.216) 5.627 3.357 ( 2.500 -11.478 -0.864) 11.779 3.615 ( 3.520 -1.505 -2.013) 4.325 3.658 ( 4.948 -6.248 -0.753) 8.005 4.042 ( -7.018 2.345 1.133) 7.486 4.059 ( -9.112 3.214 -0.546) 9.678 4.183 ( -13.287 6.607 5.373) 15.781 4.221 ( -8.173 -2.527 3.561) 9.266 4.255 ( -6.454 -3.382 1.142) 7.375 4.333 ( -10.814 -5.738 2.900) 12.581 4.474 ( -1.731 2.640 -0.633) 3.220 4.569 ( 1.421 -4.298 -3.780) 5.898 4.989 ( -1.421 3.715 -1.563) 4.274 5.037 ( -3.617 -1.430 -2.669) 4.717 5.196 ( -1.219 2.991 1.367) 3.507 5.258 ( 0.353 -2.669 2.142) 3.440 5.508 ( -0.797 2.223 -1.996) 3.092 5.533 ( -2.142 -0.526 -1.314) 2.567 5.631 ( 3.102 5.004 1.556) 6.090 5.788 ( -0.238 2.818 -0.088) 2.829 5.805 ( 1.055 -6.935 -1.638) 7.203 5.854 ( 1.089 -2.634 1.055) 3.039 6.080 ( 1.336 3.257 -1.301) 3.753 6.168 ( 0.672 -4.178 1.767) 4.586 6.286 ( 0.445 2.667 1.757) 3.225 6.344 ( -4.653 -1.885 0.316) 5.030 6.490 ( -2.669 0.304 1.665) 3.160 6.514 ( -1.410 -1.798 -1.389) 2.674 6.748 ( -4.473 10.007 0.561) 10.976 6.888 ( -2.014 -1.382 0.084) 2.445 7.060 ( -2.557 -0.120 -0.718) 2.658 7.142 ( 1.476 -6.774 0.026) 6.933 7.500 ( -3.155 2.900 -3.768) 5.706 7.536 ( -1.774 -1.084 -1.645) 2.651 7.653 ( -3.348 -1.174 2.702) 4.459 7.659 ( -2.857 -1.302 3.063) 4.386 8.045 ( 1.518 6.449 0.337) 6.633 8.169 ( 2.929 -5.803 -2.141) 6.843 10.831 ( -0.909 0.099 1.989) 2.190 10.858 ( -1.845 -2.341 2.302) 3.766 11.220 ( 1.225 4.415 -0.828) 4.656 11.325 ( 1.558 -5.875 -1.703) 6.312 11.578 ( 2.309 6.795 -3.751) 8.098 11.674 ( 2.745 -2.542 -5.033) 6.271 11.836 ( 3.635 2.439 -0.599) 4.418 11.877 ( 3.895 -1.481 -1.433) 4.406 12.771 ( 0.043 0.187 0.691) 0.717 12.791 ( -1.317 -1.601 2.234) 3.048 13.257 ( 0.952 0.029 4.237) 4.343 13.267 ( 1.229 -0.851 2.986) 3.340 20.424 ( -0.111 3.601 2.671) 4.485 20.524 ( -0.890 -6.035 4.081) 7.340 20.836 ( 4.420 4.235 -5.056) 7.939 20.894 ( 5.964 -1.918 -7.608) 9.855 21.143 ( -0.591 9.510 5.627) 11.066 21.289 ( -0.231 -3.249 2.014) 3.830 21.500 ( 0.653 7.948 -4.381) 9.099 21.699 ( -5.963 -9.533 -9.047) 14.432 22.644 ( 1.925 0.636 -0.756) 2.163 22.666 ( 1.913 -1.341 -0.607) 2.414 23.283 ( 4.700 3.644 -1.696) 6.184 23.355 ( 4.199 -3.354 -2.647) 5.991 ======================= Grid point 79 (43/108) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.881 ( 12.958 2.936 3.465) 13.731 1.944 ( 12.859 -1.839 4.436) 13.727 2.187 ( 7.234 -0.196 4.409) 8.474 2.286 ( 10.840 -8.102 0.261) 13.536 2.706 ( 2.473 1.335 -1.029) 2.992 2.729 ( -0.158 -0.074 -2.518) 2.524 3.038 ( 2.389 14.211 0.281) 14.413 3.183 ( 2.655 1.626 2.742) 4.149 3.244 ( -1.559 -0.502 6.210) 6.422 3.339 ( 5.241 5.587 -1.007) 7.726 3.411 ( 4.246 -9.364 -0.170) 10.283 3.444 ( 7.756 -0.884 -0.294) 7.812 3.687 ( 2.030 0.211 -1.429) 2.492 3.739 ( 2.147 -4.940 -2.001) 5.746 3.888 ( -5.753 5.783 2.669) 8.583 3.917 ( -7.191 1.716 1.117) 7.477 3.940 ( -6.109 2.534 2.250) 6.986 4.071 ( -7.885 -7.864 5.669) 12.496 4.126 ( -4.466 -2.277 1.800) 5.326 4.151 ( -4.355 -5.234 1.074) 6.893 4.490 ( 0.953 6.032 -2.087) 6.453 4.579 ( -0.155 -2.032 -1.581) 2.579 4.907 ( -5.310 1.290 -1.623) 5.700 4.960 ( -2.463 -3.950 -4.473) 6.456 5.193 ( -0.171 3.147 -1.441) 3.465 5.250 ( -1.465 -2.562 -0.685) 3.030 5.490 ( 0.516 4.859 -0.366) 4.900 5.544 ( 2.792 -0.390 0.192) 2.826 5.673 ( 0.212 2.285 1.159) 2.570 5.743 ( -1.590 -2.935 0.867) 3.449 5.843 ( 1.934 1.017 -0.773) 2.318 5.906 ( 2.536 -4.806 2.591) 6.020 6.088 ( -1.680 5.232 -0.941) 5.575 6.159 ( -1.753 -1.595 0.979) 2.564 6.226 ( -2.876 5.317 2.766) 6.648 6.311 ( 0.699 -2.513 3.671) 4.503 6.455 ( -0.677 1.674 -0.149) 1.812 6.524 ( 1.217 -4.726 -0.188) 4.884 6.649 ( -3.824 9.531 -0.742) 10.296 6.830 ( -2.873 -6.830 -1.344) 7.531 7.044 ( 0.219 3.375 -0.459) 3.413 7.141 ( -1.631 -5.615 -0.888) 5.914 7.431 ( -2.703 1.439 -5.209) 6.042 7.464 ( -4.073 -1.841 -3.875) 5.916 7.634 ( 0.973 0.513 4.200) 4.342 7.660 ( 1.031 -1.844 4.494) 4.966 8.074 ( 1.142 7.507 0.047) 7.593 8.218 ( 1.788 -6.791 -2.368) 7.410 10.815 ( -0.688 -0.963 1.888) 2.229 10.829 ( -1.175 -2.071 1.983) 3.099 11.242 ( 0.902 4.383 -0.820) 4.549 11.349 ( 0.829 -6.095 -1.527) 6.338 11.622 ( 1.865 7.215 -2.940) 8.012 11.724 ( 2.148 -2.855 -4.256) 5.556 11.900 ( 2.422 2.882 -0.502) 3.798 11.945 ( 2.537 -1.435 -1.414) 3.239 12.756 ( -1.192 0.471 0.900) 1.566 12.776 ( -0.419 -1.382 0.330) 1.481 13.270 ( 0.340 0.700 3.411) 3.499 13.289 ( 0.773 -1.050 2.709) 3.006 20.421 ( -0.236 1.757 1.823) 2.543 20.491 ( -2.075 -4.843 3.118) 6.122 20.923 ( 3.063 5.908 -2.808) 7.223 20.998 ( 3.120 -2.215 -2.845) 4.768 21.130 ( 0.837 7.771 -1.412) 7.942 21.250 ( -2.191 -2.221 -4.267) 5.286 21.537 ( 1.803 1.891 3.716) 4.542 21.634 ( -0.614 -6.212 -2.220) 6.625 22.687 ( 2.017 0.729 -0.470) 2.196 22.709 ( 1.989 -1.266 -0.518) 2.413 23.360 ( 2.721 3.305 -1.358) 4.491 23.424 ( 2.509 -2.892 -1.985) 4.312 ======================= Grid point 80 (44/108) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.041 ( 0.755 4.198 5.877) 7.261 2.130 ( 3.996 -2.652 5.130) 7.023 2.259 ( 0.484 1.764 4.259) 4.635 2.415 ( 0.816 -10.715 -0.908) 10.785 2.721 ( 2.011 4.536 -4.643) 6.796 2.801 ( 4.322 -2.591 -3.433) 6.097 3.055 ( -0.863 13.400 -0.576) 13.440 3.121 ( -8.586 3.281 6.672) 11.358 3.168 ( -5.101 -2.054 5.194) 7.564 3.334 ( -2.951 -6.211 -3.594) 7.759 3.501 ( 2.093 2.287 0.837) 3.211 3.578 ( 1.380 -2.230 -0.330) 2.643 3.679 ( 0.520 2.025 0.670) 2.196 3.730 ( -0.549 -1.756 1.793) 2.569 3.827 ( 1.193 4.355 0.610) 4.557 3.899 ( 1.809 1.619 2.018) 3.157 3.906 ( 0.002 -2.323 1.203) 2.616 3.964 ( 0.329 -2.693 2.531) 3.710 4.099 ( -0.619 -2.930 2.799) 4.099 4.106 ( 1.908 -4.935 2.809) 5.990 4.487 ( -0.983 4.228 -2.633) 5.077 4.578 ( 0.323 -3.571 -0.920) 3.702 4.850 ( 0.836 3.521 -2.051) 4.160 4.950 ( 1.601 -5.473 -3.417) 6.648 5.170 ( -1.765 1.163 -2.986) 3.658 5.208 ( -2.473 -2.331 -2.668) 4.321 5.511 ( 0.815 6.020 -0.292) 6.082 5.579 ( -1.368 -0.078 -0.655) 1.519 5.664 ( 1.078 3.546 1.215) 3.900 5.743 ( 0.527 -4.133 2.236) 4.729 5.873 ( 0.793 2.229 0.394) 2.399 5.946 ( 1.382 -4.168 3.708) 5.747 6.065 ( 1.655 5.579 0.963) 5.899 6.129 ( 0.480 2.336 -0.354) 2.411 6.238 ( 1.525 1.632 3.738) 4.354 6.287 ( -2.886 -2.084 5.173) 6.280 6.456 ( 0.397 3.199 -2.659) 4.179 6.542 ( 0.531 -3.776 0.542) 3.851 6.610 ( -0.302 6.841 -0.497) 6.865 6.790 ( -1.207 -8.161 -1.990) 8.486 7.050 ( 0.460 1.261 -0.261) 1.367 7.097 ( -1.769 -3.129 -1.656) 3.958 7.392 ( -0.895 -0.348 -5.258) 5.345 7.403 ( -1.551 -1.208 -4.954) 5.330 7.662 ( 1.463 0.648 4.448) 4.727 7.679 ( 0.548 -0.905 3.921) 4.061 8.087 ( 0.009 7.768 0.048) 7.769 8.237 ( 0.010 -7.038 -2.319) 7.410 10.803 ( -0.565 -1.493 1.304) 2.062 10.809 ( -0.786 -2.170 1.637) 2.830 11.256 ( 0.406 4.292 -0.602) 4.353 11.360 ( 0.319 -5.998 -1.248) 6.135 11.650 ( 0.959 7.519 -2.361) 7.940 11.756 ( 0.991 -2.853 -3.622) 4.716 11.930 ( 0.402 3.000 -0.199) 3.033 11.976 ( 0.438 -1.417 -1.148) 1.875 12.732 ( -1.249 1.199 0.352) 1.766 12.764 ( -0.846 -1.886 -0.495) 2.125 13.273 ( -0.135 1.221 2.900) 3.149 13.301 ( 0.369 -1.471 2.912) 3.283 20.413 ( -0.745 -0.014 1.002) 1.249 20.447 ( -2.039 -3.224 1.187) 3.995 20.944 ( -0.397 5.347 -1.219) 5.499 20.989 ( -3.154 0.337 0.266) 3.183 21.179 ( 2.148 3.733 -4.862) 6.495 21.258 ( 2.993 -2.581 -6.041) 7.219 21.566 ( 1.415 2.873 5.890) 6.704 21.663 ( 3.595 -5.724 2.803) 7.318 22.715 ( 0.565 0.727 -0.028) 0.921 22.736 ( 0.452 -1.164 -0.174) 1.261 23.392 ( 0.418 3.361 -1.076) 3.553 23.457 ( 0.762 -2.926 -1.419) 3.340 ======================= Grid point 81 (45/108) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( -11.257 8.432 7.241) 15.819 2.089 ( -7.613 -4.897 9.092) 12.830 2.214 ( -5.822 -0.281 5.221) 7.825 2.335 ( -8.196 -10.275 1.081) 13.188 2.768 ( 1.706 6.084 -6.686) 9.200 2.848 ( -1.346 3.378 -0.443) 3.663 2.940 ( -6.352 0.376 -0.318) 6.371 2.984 ( -7.679 -0.140 2.700) 8.141 3.054 ( -3.135 6.512 0.648) 7.256 3.270 ( -3.700 -7.583 -4.973) 9.794 3.479 ( -3.181 2.885 3.210) 5.362 3.495 ( -6.072 0.482 1.635) 6.307 3.733 ( 2.906 1.408 -1.178) 3.438 3.772 ( -2.877 -2.089 0.954) 3.682 3.850 ( 2.490 0.391 0.451) 2.561 3.859 ( 0.249 -2.229 -1.826) 2.892 3.981 ( 7.556 4.032 2.634) 8.961 4.087 ( 6.873 -4.117 5.740) 9.856 4.144 ( 4.478 0.453 1.799) 4.847 4.199 ( 6.829 -6.435 3.023) 9.858 4.479 ( 1.185 5.785 -1.776) 6.166 4.605 ( 2.448 -5.427 -0.700) 5.995 4.930 ( 6.000 3.403 -0.798) 6.944 5.014 ( 4.308 -4.162 -2.062) 6.335 5.106 ( -4.390 1.797 -4.548) 6.572 5.159 ( -2.067 -3.618 -2.534) 4.877 5.528 ( -0.125 4.306 0.793) 4.380 5.543 ( 1.416 3.603 0.965) 3.990 5.684 ( -0.543 2.046 0.992) 2.338 5.781 ( 3.835 -3.033 1.346) 5.071 5.869 ( -1.126 1.753 0.418) 2.125 5.963 ( -0.171 -5.265 4.071) 6.657 6.121 ( 0.284 6.900 2.108) 7.220 6.194 ( 6.832 1.531 -1.444) 7.149 6.221 ( -2.236 2.227 3.698) 4.862 6.286 ( 2.628 -2.619 2.096) 4.261 6.448 ( -1.239 3.678 -1.385) 4.121 6.546 ( -0.064 -5.389 3.073) 6.204 6.619 ( 0.871 6.170 -3.426) 7.111 6.758 ( -2.379 -5.852 -2.614) 6.837 7.063 ( 0.975 0.375 0.199) 1.063 7.101 ( 2.326 -3.085 -0.892) 3.966 7.396 ( 1.170 -0.644 -5.567) 5.724 7.404 ( 2.268 -1.523 -4.956) 5.659 7.680 ( -0.025 1.237 4.099) 4.281 7.697 ( 1.509 -0.592 4.336) 4.629 8.071 ( -1.444 7.420 -0.137) 7.560 8.217 ( -1.931 -6.841 -2.351) 7.487 10.792 ( -0.445 -1.519 0.668) 1.718 10.798 ( -0.295 -2.555 1.083) 2.791 11.258 ( -0.169 4.358 -0.254) 4.369 11.361 ( -0.221 -5.831 -0.926) 5.908 11.660 ( 0.086 7.587 -2.017) 7.851 11.763 ( -0.291 -2.409 -3.339) 4.127 11.917 ( -1.647 2.715 0.512) 3.217 11.962 ( -1.725 -1.517 -0.601) 2.375 12.703 ( -1.595 1.508 -0.385) 2.229 12.740 ( -1.466 -2.055 -1.031) 2.727 13.266 ( -0.674 1.787 2.846) 3.428 13.305 ( -0.086 -2.022 3.310) 3.879 20.386 ( -1.790 -0.213 0.386) 1.843 20.414 ( -1.255 -3.110 -1.069) 3.520 20.911 ( -3.509 3.413 -0.255) 4.902 20.932 ( -0.773 2.155 -0.720) 2.400 21.188 ( -1.148 3.577 -4.353) 5.749 21.291 ( -0.928 -5.622 -2.743) 6.324 21.638 ( 6.207 7.347 5.510) 11.084 21.786 ( 8.172 -6.908 3.977) 11.416 22.708 ( -1.236 0.567 0.200) 1.375 22.724 ( -1.493 -0.969 0.017) 1.780 23.376 ( -1.942 3.942 -0.865) 4.479 23.454 ( -0.994 -3.646 -1.031) 3.917 ======================= Grid point 82 (46/108) ======================= q-point: (-0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( -14.046 12.580 8.372) 20.631 1.864 ( -13.566 -1.735 12.728) 18.683 2.031 ( -10.892 -7.146 6.304) 14.472 2.098 ( -13.729 -9.433 6.375) 17.835 2.713 ( -8.773 7.439 3.578) 12.046 2.796 ( -3.834 7.214 -0.444) 8.182 2.822 ( -2.874 1.788 -6.957) 7.737 2.867 ( -2.719 -1.242 -6.666) 7.306 3.013 ( -2.516 2.360 1.088) 3.617 3.158 ( -6.597 -2.613 -4.339) 8.317 3.351 ( -7.134 2.934 3.215) 8.357 3.431 ( -1.890 -7.194 2.842) 7.963 3.642 ( -6.260 0.898 0.367) 6.334 3.703 ( -4.977 -4.550 -0.184) 6.746 3.937 ( 8.107 3.530 -2.481) 9.183 3.989 ( 7.214 -0.063 -3.649) 8.085 4.171 ( 9.704 1.365 1.197) 9.872 4.206 ( 3.092 5.407 -1.703) 6.458 4.227 ( 5.028 -2.938 3.188) 6.639 4.359 ( 7.540 -10.055 2.337) 12.783 4.564 ( 6.895 3.775 4.136) 8.882 4.668 ( 3.400 -5.349 1.264) 6.463 4.996 ( -2.803 6.407 -0.086) 6.994 5.077 ( 5.404 1.216 -0.327) 5.549 5.112 ( 2.680 -2.025 -2.092) 3.957 5.132 ( 1.592 -5.969 -0.915) 6.245 5.539 ( -0.072 6.953 1.029) 7.029 5.613 ( 4.668 2.565 0.661) 5.367 5.667 ( -0.294 2.493 1.495) 2.922 5.832 ( -2.020 -7.700 0.302) 7.966 5.868 ( 3.240 1.982 1.739) 4.178 5.931 ( -2.108 -2.724 4.023) 5.296 6.110 ( -1.392 5.691 -0.777) 5.910 6.204 ( 1.880 -0.241 2.239) 2.934 6.294 ( -0.645 -0.346 1.154) 1.366 6.326 ( 0.446 -1.209 -2.800) 3.082 6.455 ( 4.257 5.676 0.903) 7.152 6.569 ( 2.408 -5.156 2.280) 6.131 6.619 ( -1.138 3.449 -6.874) 7.774 6.687 ( -3.783 -2.874 -0.590) 4.787 7.107 ( 3.234 1.686 0.851) 3.745 7.166 ( 3.547 -3.906 1.609) 5.516 7.455 ( 4.703 0.449 -5.976) 7.618 7.482 ( 5.102 -2.067 -4.811) 7.311 7.683 ( 0.619 3.002 3.948) 4.998 7.733 ( 1.866 -2.047 5.241) 5.928 8.036 ( -1.583 6.149 -0.455) 6.365 8.162 ( -3.162 -6.175 -2.460) 7.361 10.790 ( 0.277 -1.599 0.250) 1.642 10.798 ( 0.341 -2.557 0.179) 2.586 11.249 ( -0.747 4.413 0.141) 4.478 11.349 ( -1.022 -5.509 -0.543) 5.630 11.656 ( -0.386 7.196 -2.187) 7.531 11.744 ( -1.499 -1.207 -3.621) 4.100 11.869 ( -2.813 1.766 1.503) 3.646 11.909 ( -3.217 -1.667 0.181) 3.628 12.665 ( -2.096 1.704 -1.016) 2.886 12.703 ( -1.977 -2.048 -1.314) 3.135 13.244 ( -1.524 2.406 3.047) 4.171 13.296 ( -0.988 -2.571 3.710) 4.621 20.349 ( -1.689 0.377 -0.973) 1.986 20.387 ( -1.386 -3.515 -2.542) 4.553 20.849 ( -2.402 5.426 -0.533) 5.958 20.917 ( -0.864 0.300 -0.057) 0.916 21.140 ( -3.057 2.063 -2.440) 4.422 21.229 ( -4.237 -5.400 -0.564) 6.887 21.814 ( 10.267 9.363 4.628) 14.646 21.986 ( 10.662 -7.401 3.137) 13.353 22.672 ( -1.967 0.232 0.045) 1.981 22.682 ( -2.326 -0.664 0.028) 2.419 23.312 ( -4.264 4.825 -0.853) 6.495 23.414 ( -3.037 -5.070 -1.090) 6.010 ======================= Grid point 83 (47/108) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -11.426 17.978 9.378) 23.275 1.572 ( -14.085 7.031 14.726) 21.556 1.811 ( -10.738 -13.508 8.490) 19.231 1.841 ( -9.341 -14.618 7.799) 19.020 2.451 ( -15.679 17.552 7.556) 24.718 2.694 ( -4.784 5.339 0.563) 7.190 2.814 ( 0.386 3.317 -7.198) 7.935 2.840 ( -1.537 -3.153 -6.224) 7.144 2.924 ( -3.514 -0.220 -2.845) 4.527 3.037 ( -5.375 -2.556 -3.402) 6.855 3.210 ( -6.020 4.605 3.240) 8.243 3.404 ( -1.051 -13.532 4.124) 14.185 3.568 ( -0.433 -0.207 -1.115) 1.214 3.618 ( -1.907 -3.478 -0.182) 3.971 4.100 ( 6.402 4.869 -2.358) 8.382 4.136 ( 6.221 1.218 -5.839) 8.618 4.224 ( 2.190 6.959 -7.350) 10.356 4.328 ( 6.026 -0.336 -2.804) 6.656 4.407 ( 10.111 -2.341 0.860) 10.414 4.481 ( 4.857 -9.033 2.706) 10.608 4.718 ( 5.711 -0.800 7.564) 9.512 4.746 ( 4.950 -2.928 6.269) 8.507 4.956 ( -0.619 7.032 0.502) 7.077 5.098 ( -1.580 -6.070 0.053) 6.272 5.195 ( 4.811 2.305 2.408) 5.853 5.228 ( 5.206 -0.908 2.535) 5.861 5.470 ( -5.633 6.925 -1.119) 8.997 5.630 ( -6.689 -7.120 3.150) 10.265 5.698 ( 1.805 6.071 0.873) 6.394 5.814 ( 2.841 -4.348 -2.314) 5.686 5.908 ( -0.329 1.290 3.455) 3.702 5.924 ( 1.401 -0.656 2.687) 3.100 6.093 ( 0.571 5.284 -1.541) 5.533 6.223 ( -0.809 -5.291 -0.967) 5.439 6.274 ( -0.154 3.218 1.688) 3.637 6.299 ( -1.944 1.026 -0.277) 2.216 6.537 ( 0.633 0.859 -5.130) 5.240 6.564 ( -1.250 -0.570 -9.056) 9.160 6.612 ( 1.523 1.447 1.797) 2.765 6.675 ( 2.050 -3.563 7.081) 8.188 7.183 ( 3.738 2.314 0.841) 4.476 7.238 ( 3.142 -2.764 1.581) 4.473 7.547 ( 3.023 2.475 -3.874) 5.502 7.599 ( 5.893 -2.145 -2.740) 6.844 7.721 ( 2.956 3.432 0.991) 4.637 7.780 ( 2.838 -1.928 4.222) 5.440 8.031 ( 1.752 2.101 0.750) 2.837 8.099 ( -2.459 -4.405 -1.889) 5.387 10.804 ( 1.134 -1.270 0.127) 1.708 10.821 ( 2.172 -2.458 -1.064) 3.448 11.227 ( -1.377 4.046 0.519) 4.305 11.316 ( -2.168 -4.839 -0.024) 5.302 11.645 ( -0.704 5.830 -3.507) 6.840 11.698 ( -2.814 0.844 -4.019) 4.978 11.813 ( -2.473 0.270 1.764) 3.050 11.841 ( -3.177 -1.669 0.787) 3.674 12.622 ( -1.740 2.092 -0.453) 2.759 12.664 ( -1.520 -2.005 -0.986) 2.703 13.204 ( -2.388 2.914 3.145) 4.908 13.264 ( -2.098 -2.935 3.734) 5.192 20.317 ( -1.317 0.619 -2.260) 2.688 20.356 ( -1.453 -3.196 -3.775) 5.156 20.810 ( -1.546 6.085 -0.357) 6.289 20.891 ( -1.678 0.190 -0.418) 1.740 21.078 ( -2.648 0.035 -0.279) 2.663 21.146 ( -3.377 -4.849 1.280) 6.047 22.047 ( 12.021 9.407 2.893) 15.536 22.205 ( 9.924 -6.149 0.773) 11.700 22.638 ( -1.010 -0.184 -0.116) 1.033 22.642 ( -1.203 -0.538 0.298) 1.351 23.200 ( -6.670 5.183 -1.322) 8.550 23.320 ( -6.496 -6.636 -2.347) 9.578 ======================= Grid point 84 (48/108) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -6.549 21.859 9.486) 24.712 1.333 ( -8.663 16.510 14.245) 23.464 1.619 ( -7.611 -16.763 8.064) 20.099 1.727 ( -2.608 -19.759 7.274) 21.217 2.124 ( -14.667 27.701 10.571) 33.079 2.589 ( -5.476 -5.395 2.239) 8.007 2.738 ( -4.522 3.971 3.255) 6.843 2.876 ( 4.233 1.588 -7.610) 8.852 2.922 ( 0.371 -1.224 -9.101) 9.190 2.936 ( -3.019 -2.232 -4.087) 5.550 3.133 ( -1.013 5.063 1.158) 5.292 3.379 ( -1.609 -17.169 4.809) 17.902 3.608 ( 3.842 1.986 -1.142) 4.473 3.662 ( 5.236 -2.707 -2.268) 6.316 4.185 ( 1.981 4.274 -6.888) 8.345 4.201 ( 3.849 1.466 -5.173) 6.612 4.338 ( 6.068 3.500 -4.959) 8.583 4.445 ( 4.024 -4.287 -3.610) 6.899 4.566 ( 7.626 1.912 1.417) 7.989 4.617 ( 5.081 -1.071 3.236) 6.118 4.778 ( 1.274 2.870 6.087) 6.849 4.834 ( 2.399 -1.948 2.777) 4.155 4.994 ( 4.357 1.010 2.225) 4.996 5.054 ( -1.331 -2.759 0.589) 3.119 5.245 ( -1.452 2.392 3.402) 4.405 5.303 ( -0.876 -2.945 5.819) 6.580 5.389 ( 0.646 -0.109 -0.864) 1.084 5.459 ( -6.437 -5.882 1.577) 8.861 5.637 ( -8.217 4.646 6.549) 11.489 5.740 ( -11.078 -5.650 3.020) 12.797 5.938 ( 2.181 4.044 -2.048) 5.030 5.978 ( 4.560 0.603 -1.547) 4.853 6.161 ( 3.278 5.145 -1.917) 6.395 6.207 ( 0.579 4.164 0.363) 4.220 6.235 ( -2.990 -1.153 -0.800) 3.303 6.303 ( 3.683 -3.876 -0.546) 5.375 6.533 ( 1.645 3.362 -3.616) 5.204 6.599 ( 1.950 -2.971 -3.511) 4.995 6.619 ( -1.443 2.103 1.819) 3.132 6.698 ( 0.090 -4.647 6.060) 7.637 7.245 ( 1.789 2.205 -1.590) 3.255 7.286 ( 1.425 -1.748 -0.185) 2.263 7.584 ( 1.084 5.288 1.564) 5.620 7.687 ( 2.652 -3.734 3.870) 5.996 7.771 ( 1.305 4.185 -4.350) 6.176 7.850 ( 3.083 -2.497 -2.600) 4.743 8.073 ( 0.962 0.593 0.509) 1.239 8.114 ( 4.339 -3.654 3.370) 6.598 10.838 ( 2.146 0.879 -0.299) 2.338 10.889 ( 4.315 -3.551 -1.862) 5.890 11.194 ( -1.748 2.945 0.790) 3.515 11.260 ( -3.314 -3.621 0.681) 4.955 11.618 ( -1.829 3.447 -5.025) 6.362 11.632 ( -3.360 2.116 -4.453) 5.966 11.771 ( -1.590 -0.349 0.291) 1.654 11.785 ( -2.492 -1.290 -0.767) 2.909 12.615 ( 1.530 1.888 2.828) 3.729 12.657 ( 1.387 -2.020 0.721) 2.554 13.155 ( -2.065 3.084 2.978) 4.759 13.218 ( -2.224 -2.948 3.163) 4.862 20.297 ( -0.442 0.764 -3.166) 3.286 20.333 ( -0.446 -2.699 -4.337) 5.128 20.782 ( -1.296 6.006 0.362) 6.155 20.853 ( -1.663 0.959 -1.978) 2.756 21.040 ( -0.850 -1.295 2.344) 2.810 21.094 ( -1.906 -5.121 3.080) 6.273 22.280 ( 9.011 5.495 -2.954) 10.960 22.350 ( 3.037 -1.859 -4.810) 5.985 22.640 ( 1.330 -0.021 0.862) 1.585 22.655 ( 2.607 -1.321 1.817) 3.441 23.043 ( -8.021 3.554 -2.334) 9.078 23.130 ( -11.584 -5.263 -5.054) 13.691 ======================= Grid point 105 (49/108) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( -1.729 0.000 20.724) 20.796 0.979 ( 2.716 0.000 23.940) 24.094 1.433 ( -9.301 0.000 22.286) 24.149 1.998 ( -3.405 0.000 8.154) 8.836 2.218 ( -5.979 0.000 -7.996) 9.984 2.468 ( 3.260 0.000 -1.341) 3.525 2.490 ( -0.672 0.000 -2.143) 2.246 2.685 ( 2.016 0.000 -4.565) 4.990 2.793 ( 1.026 0.000 -1.705) 1.990 3.032 ( 5.162 0.000 -5.236) 7.353 3.187 ( 1.770 0.000 3.300) 3.745 3.525 ( -0.094 0.000 -2.667) 2.669 3.705 ( -0.107 0.000 -3.638) 3.639 3.723 ( 2.840 0.000 -8.536) 8.996 4.120 ( -5.630 0.000 -0.500) 5.652 4.302 ( -0.587 0.000 -5.393) 5.425 4.321 ( 7.657 0.000 2.769) 8.142 4.468 ( 3.739 0.000 -0.933) 3.854 4.513 ( 6.438 0.000 -4.380) 7.787 4.622 ( -2.166 0.000 -5.745) 6.140 4.832 ( 0.660 0.000 8.722) 8.747 5.035 ( 2.371 0.000 -0.528) 2.429 5.090 ( -7.424 0.000 8.846) 11.549 5.217 ( -1.339 0.000 5.756) 5.909 5.218 ( -8.382 0.000 4.832) 9.675 5.424 ( 5.734 0.000 7.081) 9.111 5.440 ( -3.490 0.000 1.960) 4.003 5.517 ( -10.378 0.000 3.579) 10.978 5.674 ( -2.927 0.000 0.906) 3.064 5.704 ( 0.386 0.000 -0.841) 0.926 5.803 ( 13.746 0.000 -3.051) 14.081 6.004 ( -0.008 0.000 9.547) 9.547 6.008 ( 0.358 0.000 -3.523) 3.541 6.182 ( 6.722 0.000 1.842) 6.969 6.203 ( -3.650 0.000 2.681) 4.529 6.364 ( 2.285 0.000 0.949) 2.474 6.592 ( -0.388 0.000 -2.103) 2.138 6.604 ( -4.996 0.000 -2.717) 5.687 6.625 ( 9.195 0.000 1.953) 9.400 6.822 ( -3.642 0.000 -0.532) 3.680 7.099 ( -2.819 0.000 -3.285) 4.329 7.243 ( -2.071 0.000 -10.567) 10.768 7.473 ( 1.692 0.000 4.992) 5.271 7.498 ( -1.762 0.000 5.394) 5.675 7.857 ( 3.424 0.000 -4.198) 5.417 7.949 ( -0.607 0.000 -6.359) 6.388 8.032 ( 1.239 0.000 5.878) 6.007 8.279 ( -6.334 0.000 -1.550) 6.521 10.925 ( -7.647 0.000 0.582) 7.669 11.065 ( 7.079 0.000 -3.734) 8.003 11.180 ( 2.677 0.000 3.231) 4.196 11.231 ( 0.473 0.000 2.186) 2.237 11.288 ( -5.312 0.000 1.608) 5.550 11.442 ( -0.686 0.000 -2.157) 2.264 11.687 ( -1.208 0.000 -3.825) 4.011 11.696 ( -2.087 0.000 -3.917) 4.438 12.707 ( 1.019 0.000 2.555) 2.751 12.944 ( 1.998 0.000 -3.300) 3.858 13.288 ( -3.292 0.000 2.439) 4.097 13.382 ( 21.015 0.000 -0.594) 21.023 20.303 ( 1.411 0.000 -2.411) 2.794 20.356 ( 0.307 0.000 -3.501) 3.515 20.657 ( -0.087 0.000 -0.528) 0.535 20.682 ( 2.333 0.000 -0.873) 2.491 21.178 ( 4.855 0.000 0.995) 4.956 21.382 ( -1.102 0.000 10.992) 11.048 21.383 ( -42.451 0.000 -5.509) 42.807 22.162 ( -5.134 0.000 -10.402) 11.600 22.581 ( -4.750 0.000 3.411) 5.848 22.683 ( 1.444 0.000 -0.113) 1.449 22.890 ( -1.704 0.000 -0.193) 1.715 22.992 ( 5.807 0.000 -2.808) 6.450 ======================= Grid point 106 (50/108) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.983 ( 1.476 0.000 23.374) 23.421 1.040 ( 12.663 0.000 17.176) 21.340 1.559 ( 17.278 0.000 19.118) 25.769 1.980 ( 1.628 0.000 5.238) 5.485 2.155 ( 0.453 0.000 -9.099) 9.110 2.503 ( 2.317 0.000 -0.957) 2.507 2.531 ( 2.504 0.000 0.038) 2.504 2.757 ( 5.076 0.000 -3.824) 6.355 2.813 ( 0.762 0.000 -0.740) 1.062 3.140 ( 5.100 0.000 -2.154) 5.536 3.205 ( 0.035 0.000 3.990) 3.991 3.516 ( -0.467 0.000 -3.441) 3.472 3.673 ( -2.761 0.000 -2.446) 3.688 3.804 ( 4.657 0.000 -8.213) 9.442 3.973 ( -3.645 0.000 -1.232) 3.848 4.199 ( -6.984 0.000 -3.186) 7.676 4.302 ( -6.881 0.000 1.964) 7.156 4.504 ( -4.791 0.000 -7.325) 8.753 4.662 ( 10.015 0.000 1.691) 10.157 4.760 ( 10.009 0.000 -7.516) 12.517 4.792 ( -11.036 0.000 12.339) 16.554 4.890 ( 0.761 0.000 2.426) 2.543 4.980 ( -5.848 0.000 7.502) 9.512 5.144 ( -9.534 0.000 3.684) 10.221 5.197 ( -1.820 0.000 3.172) 3.657 5.345 ( 1.929 0.000 0.220) 1.941 5.389 ( -6.302 0.000 0.220) 6.306 5.480 ( -1.617 0.000 7.776) 7.943 5.608 ( -2.900 0.000 -0.393) 2.927 5.739 ( 2.302 0.000 3.612) 4.283 5.904 ( -4.681 0.000 2.825) 5.467 6.024 ( 2.086 0.000 -1.281) 2.448 6.066 ( 2.290 0.000 3.359) 4.066 6.262 ( 13.572 0.000 -2.500) 13.801 6.295 ( 3.041 0.000 -2.366) 3.853 6.441 ( -2.525 0.000 -0.865) 2.669 6.469 ( -0.264 0.000 0.520) 0.583 6.568 ( -1.644 0.000 -3.488) 3.856 6.722 ( -5.847 0.000 -0.375) 5.859 6.802 ( 4.201 0.000 -1.115) 4.347 7.062 ( 1.586 0.000 -3.590) 3.925 7.210 ( -0.889 0.000 -9.193) 9.236 7.431 ( -4.363 0.000 4.909) 6.567 7.526 ( 3.376 0.000 5.117) 6.130 7.877 ( -1.509 0.000 -3.493) 3.805 7.932 ( -2.982 0.000 -5.960) 6.664 8.018 ( -2.484 0.000 5.013) 5.595 8.071 ( -8.784 0.000 3.249) 9.366 10.822 ( -2.108 0.000 1.364) 2.511 11.144 ( -5.079 0.000 0.626) 5.118 11.198 ( 3.669 0.000 -1.322) 3.900 11.233 ( 2.118 0.000 4.507) 4.980 11.304 ( 4.842 0.000 1.254) 5.001 11.445 ( 1.026 0.000 -2.586) 2.783 11.675 ( 0.235 0.000 -3.150) 3.159 11.695 ( 1.966 0.000 -3.301) 3.842 12.726 ( 0.778 0.000 1.284) 1.501 12.931 ( -1.712 0.000 -3.149) 3.585 13.255 ( 0.090 0.000 1.159) 1.162 13.710 ( 5.569 0.000 -5.561) 7.870 20.346 ( 2.536 0.000 -2.563) 3.605 20.386 ( 2.673 0.000 -3.083) 4.081 20.510 ( -18.895 0.000 8.840) 20.860 20.676 ( 2.286 0.000 -2.223) 3.188 20.871 ( 3.168 0.000 5.063) 5.972 21.237 ( -2.162 0.000 6.459) 6.811 21.396 ( 4.691 0.000 10.846) 11.817 22.017 ( -7.882 0.000 -10.802) 13.372 22.579 ( 1.670 0.000 -0.307) 1.698 22.679 ( -1.433 0.000 1.131) 1.825 22.934 ( 5.400 0.000 -0.772) 5.455 23.130 ( 6.804 0.000 -3.572) 7.684 ======================= Grid point 107 (51/108) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 15.644 0.000 13.872) 20.909 1.375 ( 18.176 0.000 11.273) 21.388 1.970 ( 19.102 0.000 6.574) 20.201 2.074 ( 8.239 0.000 9.760) 12.772 2.235 ( 7.164 0.000 -7.820) 10.606 2.564 ( 0.740 0.000 1.540) 1.709 2.580 ( 4.873 0.000 1.561) 5.116 2.863 ( 5.018 0.000 0.646) 5.060 2.875 ( 6.107 0.000 -4.845) 7.796 3.202 ( -0.050 0.000 4.863) 4.863 3.241 ( 4.764 0.000 0.471) 4.788 3.518 ( 0.868 0.000 -3.607) 3.710 3.653 ( 1.950 0.000 -3.176) 3.727 3.881 ( 2.103 0.000 -5.344) 5.742 3.981 ( 2.781 0.000 -1.793) 3.309 4.042 ( -8.046 0.000 -3.760) 8.881 4.153 ( -6.435 0.000 0.747) 6.478 4.400 ( -4.672 0.000 -4.446) 6.449 4.552 ( -11.570 0.000 12.676) 17.162 4.765 ( -0.340 0.000 7.362) 7.370 4.775 ( -8.529 0.000 6.473) 10.707 4.880 ( -5.637 0.000 -0.916) 5.711 4.988 ( 6.076 0.000 -1.620) 6.288 5.030 ( 1.188 0.000 -0.802) 1.433 5.032 ( -13.414 0.000 -1.160) 13.464 5.234 ( -7.621 0.000 -0.569) 7.643 5.444 ( 0.343 0.000 5.499) 5.509 5.445 ( 6.615 0.000 -3.521) 7.494 5.587 ( 1.307 0.000 -2.044) 2.426 5.748 ( -1.703 0.000 7.052) 7.255 5.819 ( -3.111 0.000 3.945) 5.025 6.091 ( 3.399 0.000 1.450) 3.696 6.115 ( 2.916 0.000 2.205) 3.656 6.183 ( -10.541 0.000 -7.641) 13.019 6.407 ( -0.359 0.000 0.152) 0.390 6.436 ( -2.427 0.000 1.017) 2.632 6.515 ( -0.023 0.000 -0.131) 0.133 6.565 ( 3.630 0.000 -2.818) 4.596 6.628 ( -1.357 0.000 0.825) 1.588 6.755 ( -4.789 0.000 -1.289) 4.959 7.174 ( 5.895 0.000 -7.521) 9.557 7.199 ( -0.148 0.000 -7.497) 7.499 7.333 ( -5.152 0.000 3.903) 6.463 7.609 ( 4.062 0.000 5.139) 6.551 7.804 ( -4.867 0.000 -2.143) 5.318 7.811 ( -4.385 0.000 0.662) 4.434 7.950 ( -3.670 0.000 3.401) 5.003 8.041 ( 2.537 0.000 -4.601) 5.254 10.820 ( 1.244 0.000 0.164) 1.255 11.037 ( -4.595 0.000 1.858) 4.956 11.264 ( 0.755 0.000 4.948) 5.006 11.270 ( 3.081 0.000 0.490) 3.120 11.408 ( 4.435 0.000 -2.185) 4.944 11.480 ( 2.214 0.000 -2.743) 3.525 11.705 ( 2.517 0.000 -1.875) 3.139 11.757 ( 3.813 0.000 -3.191) 4.972 12.743 ( 0.922 0.000 -0.440) 1.022 12.887 ( -2.432 0.000 -2.779) 3.693 13.281 ( 1.987 0.000 1.181) 2.312 13.649 ( -7.714 0.000 4.818) 9.095 20.359 ( 1.245 0.000 2.043) 2.392 20.399 ( 2.635 0.000 -2.194) 3.429 20.493 ( 7.256 0.000 -3.928) 8.251 20.747 ( 4.344 0.000 -4.179) 6.028 21.029 ( 9.525 0.000 4.304) 10.452 21.125 ( -7.453 0.000 10.213) 12.644 21.540 ( 7.655 0.000 9.559) 12.246 21.844 ( -8.435 0.000 -11.154) 13.984 22.612 ( 1.556 0.000 -1.352) 2.061 22.654 ( -0.685 0.000 0.762) 1.024 23.067 ( 6.805 0.000 0.274) 6.810 23.256 ( 5.469 0.000 -3.830) 6.677 ======================= Grid point 108 (52/108) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 20.212 0.000 6.854) 21.343 1.744 ( 16.643 0.000 7.724) 18.348 2.221 ( 9.901 0.000 -1.257) 9.980 2.364 ( 13.322 0.000 9.282) 16.236 2.418 ( 9.738 0.000 -4.639) 10.786 2.570 ( 0.057 0.000 1.145) 1.146 2.694 ( 5.786 0.000 4.112) 7.098 3.004 ( 6.822 0.000 -6.561) 9.465 3.024 ( 10.031 0.000 1.702) 10.174 3.219 ( 1.836 0.000 5.868) 6.149 3.329 ( 3.396 0.000 2.594) 4.274 3.540 ( 0.945 0.000 -3.207) 3.343 3.743 ( 6.122 0.000 -3.874) 7.244 3.853 ( -7.160 0.000 -1.513) 7.318 3.888 ( -3.840 0.000 -2.225) 4.438 4.005 ( -3.910 0.000 5.084) 6.413 4.054 ( -2.001 0.000 -4.017) 4.488 4.321 ( -3.136 0.000 -0.078) 3.137 4.357 ( -6.044 0.000 7.249) 9.438 4.573 ( -10.697 0.000 4.755) 11.707 4.670 ( -11.897 0.000 2.226) 12.103 4.755 ( -6.195 0.000 6.889) 9.265 4.791 ( -1.553 0.000 0.604) 1.666 5.041 ( -0.100 0.000 -4.976) 4.977 5.078 ( 0.964 0.000 -2.721) 2.886 5.098 ( -5.491 0.000 -2.316) 5.960 5.498 ( 3.731 0.000 2.078) 4.271 5.602 ( 7.219 0.000 -6.841) 9.945 5.657 ( 5.482 0.000 -0.246) 5.488 5.694 ( -2.982 0.000 4.875) 5.715 5.763 ( -2.677 0.000 4.259) 5.031 5.925 ( -12.001 0.000 -5.704) 13.288 6.171 ( 1.803 0.000 2.578) 3.146 6.177 ( 2.601 0.000 4.008) 4.778 6.310 ( -6.980 0.000 -0.127) 6.981 6.315 ( -5.747 0.000 -1.649) 5.979 6.511 ( -7.340 0.000 6.020) 9.493 6.546 ( 1.825 0.000 -0.221) 1.838 6.635 ( 1.183 0.000 -2.608) 2.864 6.754 ( 2.830 0.000 -3.148) 4.233 7.200 ( 0.551 0.000 -5.889) 5.915 7.202 ( -3.357 0.000 0.691) 3.427 7.277 ( 0.645 0.000 -2.676) 2.752 7.619 ( -4.916 0.000 0.656) 4.960 7.753 ( 1.462 0.000 2.941) 3.284 7.771 ( -0.664 0.000 0.793) 1.034 7.888 ( -1.835 0.000 2.543) 3.136 8.117 ( 4.518 0.000 -8.060) 9.240 10.857 ( 2.171 0.000 -0.623) 2.259 10.961 ( -2.849 0.000 1.756) 3.347 11.270 ( -0.177 0.000 4.615) 4.618 11.325 ( 2.205 0.000 1.966) 2.954 11.480 ( 2.838 0.000 -4.527) 5.343 11.525 ( 2.095 0.000 -2.706) 3.422 11.767 ( 3.232 0.000 -0.945) 3.368 11.837 ( 3.788 0.000 -3.242) 4.986 12.762 ( 0.844 0.000 -1.381) 1.619 12.832 ( -2.786 0.000 -1.484) 3.157 13.325 ( 2.151 0.000 1.567) 2.661 13.497 ( -6.251 0.000 7.815) 10.008 20.419 ( 3.381 0.000 -1.843) 3.851 20.456 ( 2.958 0.000 -1.917) 3.525 20.680 ( 10.419 0.000 -5.272) 11.677 20.836 ( 3.764 0.000 -5.640) 6.780 20.963 ( -7.775 0.000 10.958) 13.436 21.195 ( 4.569 0.000 5.272) 6.977 21.683 ( 5.459 0.000 8.969) 10.500 21.696 ( -4.464 0.000 -10.103) 11.046 22.649 ( 2.216 0.000 -1.458) 2.653 22.657 ( 1.002 0.000 0.223) 1.026 23.194 ( 5.266 0.000 0.828) 5.331 23.354 ( 4.082 0.000 -3.559) 5.416 ======================= Grid point 109 (53/108) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 17.002 0.000 4.537) 17.596 2.027 ( 9.908 0.000 6.653) 11.935 2.425 ( 9.513 0.000 0.045) 9.513 2.530 ( 2.571 0.000 2.879) 3.860 2.545 ( 0.176 0.000 -2.364) 2.371 2.611 ( 5.439 0.000 -0.431) 5.456 2.795 ( 3.463 0.000 4.494) 5.673 3.172 ( 9.632 0.000 -7.243) 12.052 3.226 ( 7.655 0.000 2.700) 8.117 3.265 ( 1.696 0.000 5.621) 5.871 3.367 ( 0.597 0.000 1.103) 1.254 3.535 ( -3.203 0.000 1.354) 3.477 3.690 ( -5.460 0.000 -0.498) 5.482 3.835 ( -2.004 0.000 3.433) 3.975 3.852 ( 0.417 0.000 -0.125) 0.436 3.919 ( 2.992 0.000 0.983) 3.149 4.012 ( -2.880 0.000 -2.090) 3.558 4.245 ( -7.076 0.000 -0.862) 7.128 4.266 ( -2.241 0.000 2.509) 3.364 4.333 ( -12.428 0.000 3.298) 12.858 4.535 ( 2.062 0.000 4.818) 5.241 4.673 ( -3.576 0.000 7.089) 7.940 4.824 ( 3.674 0.000 -0.664) 3.734 5.005 ( -2.840 0.000 -4.189) 5.061 5.045 ( -0.185 0.000 -7.234) 7.236 5.052 ( -2.191 0.000 -2.460) 3.294 5.541 ( 0.022 0.000 0.258) 0.259 5.648 ( -8.100 0.000 -6.276) 10.247 5.648 ( -2.374 0.000 2.264) 3.281 5.710 ( -2.210 0.000 4.155) 4.706 5.741 ( 6.692 0.000 -2.046) 6.997 5.810 ( 2.323 0.000 -0.767) 2.447 6.132 ( -4.564 0.000 3.575) 5.798 6.179 ( -0.655 0.000 3.619) 3.678 6.243 ( -0.124 0.000 -0.302) 0.326 6.274 ( 1.076 0.000 0.113) 1.082 6.373 ( -5.083 0.000 6.174) 7.997 6.525 ( -3.587 0.000 1.370) 3.839 6.691 ( 3.749 0.000 -7.522) 8.404 6.796 ( 1.252 0.000 -1.814) 2.204 7.153 ( -0.604 0.000 3.332) 3.386 7.224 ( 1.966 0.000 -4.448) 4.863 7.268 ( -1.869 0.000 -3.165) 3.676 7.494 ( -6.013 0.000 -0.509) 6.035 7.761 ( -0.395 0.000 1.727) 1.772 7.761 ( -1.482 0.000 1.720) 2.270 7.897 ( 2.032 0.000 4.266) 4.726 8.202 ( 3.492 0.000 -8.657) 9.335 10.903 ( 2.286 0.000 -0.952) 2.476 10.916 ( -1.712 0.000 1.345) 2.177 11.261 ( -0.684 0.000 3.950) 4.009 11.357 ( 0.852 0.000 2.813) 2.939 11.529 ( 2.077 0.000 -5.740) 6.104 11.560 ( 1.253 0.000 -2.608) 2.893 11.826 ( 2.409 0.000 -0.687) 2.505 11.902 ( 2.499 0.000 -3.312) 4.149 12.773 ( 0.194 0.000 -1.658) 1.669 12.778 ( -2.324 0.000 -0.048) 2.324 13.368 ( 1.971 0.000 2.116) 2.892 13.400 ( -3.566 0.000 6.383) 7.311 20.481 ( 2.551 0.000 -3.155) 4.057 20.518 ( 3.034 0.000 -2.097) 3.688 20.778 ( -7.571 0.000 7.486) 10.647 20.903 ( 11.185 0.000 -4.867) 12.198 20.939 ( 3.686 0.000 -2.790) 4.623 21.167 ( -6.448 0.000 1.676) 6.662 21.701 ( 4.453 0.000 -3.283) 5.532 21.751 ( 0.729 0.000 7.551) 7.586 22.689 ( 1.798 0.000 0.056) 1.799 22.698 ( 2.239 0.000 -1.483) 2.686 23.277 ( 2.732 0.000 0.699) 2.820 23.423 ( 2.769 0.000 -3.262) 4.279 ======================= Grid point 110 (54/108) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( -0.903 0.000 6.835) 6.894 2.190 ( 2.569 0.000 7.282) 7.722 2.505 ( -2.450 0.000 0.294) 2.467 2.516 ( -2.256 0.000 -6.088) 6.493 2.586 ( 5.297 0.000 -1.333) 5.462 2.691 ( 2.003 0.000 0.101) 2.005 2.838 ( 1.261 0.000 3.404) 3.630 3.198 ( -5.168 0.000 4.037) 6.558 3.278 ( -1.638 0.000 -0.827) 1.835 3.352 ( -8.292 0.000 5.632) 10.023 3.387 ( 6.168 0.000 2.601) 6.694 3.501 ( 9.580 0.000 -6.790) 11.742 3.666 ( 1.993 0.000 1.651) 2.588 3.817 ( 0.362 0.000 2.711) 2.735 3.866 ( -7.459 0.000 6.205) 9.703 3.929 ( 5.900 0.000 -0.942) 5.975 3.977 ( -3.358 0.000 -1.579) 3.711 4.083 ( -11.129 0.000 2.728) 11.458 4.232 ( -0.381 0.000 1.535) 1.582 4.252 ( 9.521 0.000 -1.771) 9.684 4.605 ( -2.519 0.000 4.906) 5.515 4.634 ( 4.553 0.000 7.879) 9.100 4.900 ( 2.953 0.000 -2.328) 3.761 4.959 ( -2.432 0.000 -5.052) 5.607 5.030 ( -0.317 0.000 -5.651) 5.660 5.046 ( 2.938 0.000 -5.893) 6.585 5.526 ( -1.808 0.000 -3.501) 3.940 5.529 ( -2.205 0.000 -1.245) 2.532 5.547 ( -5.426 0.000 4.691) 7.173 5.673 ( -1.994 0.000 2.448) 3.158 5.818 ( -1.195 0.000 -0.641) 1.356 5.921 ( 10.627 0.000 -2.490) 10.914 6.063 ( -2.245 0.000 4.673) 5.184 6.211 ( 2.501 0.000 4.606) 5.241 6.251 ( 1.177 0.000 0.142) 1.185 6.292 ( 0.076 0.000 -0.068) 0.102 6.319 ( -0.512 0.000 3.866) 3.900 6.431 ( -4.744 0.000 0.874) 4.823 6.758 ( 2.660 0.000 -7.101) 7.583 6.809 ( 0.023 0.000 -1.851) 1.851 7.166 ( -0.363 0.000 0.914) 0.983 7.219 ( -0.581 0.000 0.812) 0.998 7.274 ( 2.512 0.000 -3.775) 4.534 7.397 ( -2.887 0.000 -1.438) 3.225 7.712 ( -3.038 0.000 0.970) 3.189 7.759 ( 0.350 0.000 2.033) 2.063 7.932 ( 0.851 0.000 4.657) 4.734 8.246 ( 0.842 0.000 -7.873) 7.918 10.887 ( -1.236 0.000 0.831) 1.490 10.949 ( 2.136 0.000 -1.076) 2.391 11.245 ( -0.880 0.000 3.277) 3.393 11.363 ( -0.348 0.000 2.932) 2.952 11.560 ( 0.976 0.000 -5.670) 5.753 11.575 ( 0.261 0.000 -2.470) 2.484 11.862 ( 1.023 0.000 -0.825) 1.314 11.935 ( 0.665 0.000 -3.361) 3.426 12.736 ( -1.907 0.000 0.938) 2.125 12.769 ( -0.581 0.000 -1.591) 1.694 13.343 ( -2.304 0.000 4.713) 5.246 13.408 ( 1.942 0.000 2.926) 3.512 20.518 ( 1.110 0.000 -4.407) 4.544 20.569 ( 0.980 0.000 -2.822) 2.987 20.637 ( -5.118 0.000 7.559) 9.129 20.987 ( -8.550 0.000 1.201) 8.634 21.018 ( 4.011 0.000 -2.933) 4.969 21.145 ( 10.897 0.000 -5.436) 12.177 21.715 ( -4.181 0.000 5.575) 6.969 21.827 ( 7.210 0.000 1.388) 7.342 22.717 ( 0.705 0.000 0.064) 0.708 22.727 ( 0.340 0.000 -1.597) 1.633 23.305 ( -0.058 0.000 0.399) 0.403 23.466 ( 1.475 0.000 -3.229) 3.550 ======================= Grid point 111 (55/108) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -10.104 0.000 7.106) 12.352 2.014 ( -16.321 0.000 9.608) 18.939 2.456 ( -5.472 0.000 -0.475) 5.493 2.460 ( -2.855 0.000 -10.848) 11.217 2.636 ( 0.492 0.000 -2.928) 2.969 2.696 ( -1.397 0.000 0.344) 1.439 2.887 ( 3.510 0.000 0.696) 3.578 3.100 ( -4.740 0.000 8.382) 9.629 3.104 ( -11.935 0.000 7.053) 13.864 3.254 ( -3.059 0.000 -0.911) 3.192 3.422 ( -5.836 0.000 4.013) 7.082 3.622 ( 0.389 0.000 -1.362) 1.417 3.699 ( -3.825 0.000 3.974) 5.515 3.775 ( 3.079 0.000 -2.077) 3.714 3.835 ( -1.834 0.000 -1.479) 2.357 3.938 ( 1.202 0.000 3.528) 3.727 3.945 ( 1.081 0.000 -6.490) 6.579 3.991 ( 1.072 0.000 3.292) 3.462 4.347 ( 12.217 0.000 2.066) 12.390 4.490 ( 11.474 0.000 2.192) 11.682 4.566 ( -0.323 0.000 5.183) 5.193 4.735 ( 5.720 0.000 6.618) 8.747 4.838 ( -6.096 0.000 -7.672) 9.799 4.982 ( 2.791 0.000 0.734) 2.886 5.065 ( 3.797 0.000 -2.862) 4.755 5.153 ( 5.508 0.000 -8.439) 10.078 5.396 ( -5.606 0.000 2.277) 6.051 5.503 ( -3.648 0.000 2.201) 4.260 5.570 ( 5.040 0.000 -3.085) 5.910 5.668 ( 2.984 0.000 1.502) 3.341 5.795 ( -0.663 0.000 -2.647) 2.729 6.032 ( -0.984 0.000 5.124) 5.218 6.156 ( 11.270 0.000 -3.436) 11.782 6.223 ( -2.323 0.000 5.527) 5.995 6.257 ( -0.878 0.000 -1.994) 2.179 6.268 ( -1.605 0.000 5.201) 5.443 6.365 ( 4.203 0.000 4.787) 6.371 6.371 ( -0.757 0.000 -3.714) 3.790 6.784 ( -2.906 0.000 -3.110) 4.256 6.794 ( 1.062 0.000 -3.795) 3.941 7.112 ( -2.205 0.000 0.141) 2.210 7.281 ( 4.290 0.000 3.493) 5.532 7.305 ( 0.745 0.000 -4.279) 4.343 7.395 ( 2.354 0.000 -3.144) 3.927 7.644 ( -3.365 0.000 1.285) 3.602 7.788 ( 2.734 0.000 1.526) 3.131 7.929 ( -1.189 0.000 4.596) 4.748 8.232 ( -2.055 0.000 -7.257) 7.543 10.864 ( -0.958 0.000 0.255) 0.991 10.990 ( 1.942 0.000 -1.083) 2.224 11.228 ( -0.882 0.000 2.743) 2.881 11.346 ( -1.282 0.000 2.757) 3.040 11.564 ( -0.550 0.000 -4.767) 4.798 11.570 ( -0.627 0.000 -2.279) 2.364 11.868 ( -0.330 0.000 -1.228) 1.271 11.928 ( -1.235 0.000 -3.408) 3.625 12.696 ( -2.063 0.000 1.633) 2.631 12.750 ( -1.171 0.000 -1.206) 1.681 13.301 ( -1.972 0.000 3.725) 4.214 13.447 ( 1.592 0.000 4.014) 4.318 20.496 ( -5.027 0.000 3.344) 6.037 20.521 ( -0.796 0.000 -5.533) 5.590 20.631 ( 1.338 0.000 -1.322) 1.881 20.817 ( -7.323 0.000 0.873) 7.375 21.102 ( 4.096 0.000 -0.733) 4.161 21.371 ( 10.832 0.000 -3.672) 11.437 21.591 ( -7.633 0.000 3.351) 8.337 21.987 ( 8.182 0.000 1.481) 8.315 22.707 ( -2.081 0.000 -1.846) 2.782 22.713 ( -1.054 0.000 -0.123) 1.061 23.277 ( -2.657 0.000 0.307) 2.675 23.482 ( 0.046 0.000 -3.813) 3.813 ======================= Grid point 112 (56/108) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( -19.971 0.000 10.782) 22.695 1.742 ( -15.075 0.000 8.291) 17.204 2.279 ( -10.284 0.000 -1.487) 10.391 2.408 ( -1.559 0.000 -13.885) 13.972 2.601 ( -4.235 0.000 -2.526) 4.931 2.644 ( -3.292 0.000 -1.120) 3.477 2.860 ( -11.362 0.000 7.344) 13.529 2.908 ( -9.607 0.000 9.352) 13.407 2.993 ( 0.100 0.000 8.583) 8.584 3.171 ( -5.374 0.000 -1.300) 5.529 3.202 ( -11.549 0.000 4.309) 12.326 3.559 ( -3.993 0.000 -3.825) 5.530 3.688 ( 0.672 0.000 -1.878) 1.995 3.794 ( -0.664 0.000 -2.917) 2.992 3.816 ( 1.184 0.000 -1.799) 2.153 3.905 ( 0.037 0.000 -5.398) 5.398 3.971 ( 1.046 0.000 5.438) 5.538 4.191 ( 11.702 0.000 -0.784) 11.729 4.562 ( 1.703 0.000 8.449) 8.619 4.641 ( 13.467 0.000 1.569) 13.558 4.733 ( -2.452 0.000 -1.094) 2.686 4.763 ( 13.079 0.000 2.178) 13.259 4.872 ( 6.609 0.000 5.943) 8.888 5.032 ( 1.975 0.000 -1.421) 2.433 5.176 ( 6.815 0.000 -1.432) 6.964 5.192 ( -1.286 0.000 -4.900) 5.066 5.338 ( -1.821 0.000 -2.150) 2.818 5.431 ( -0.964 0.000 1.712) 1.964 5.677 ( 4.320 0.000 0.016) 4.320 5.783 ( 6.535 0.000 2.763) 7.095 5.794 ( 0.785 0.000 -7.000) 7.044 6.029 ( 1.081 0.000 2.433) 2.662 6.144 ( -4.836 0.000 3.458) 5.945 6.198 ( -4.286 0.000 6.579) 7.852 6.236 ( -0.661 0.000 0.441) 0.794 6.366 ( 6.592 0.000 -0.160) 6.594 6.404 ( 4.599 0.000 -6.489) 7.953 6.427 ( -0.273 0.000 3.908) 3.918 6.695 ( -4.161 0.000 -3.732) 5.589 6.814 ( 1.421 0.000 0.074) 1.423 7.108 ( 1.437 0.000 0.753) 1.623 7.321 ( 0.863 0.000 -6.353) 6.412 7.367 ( 3.823 0.000 3.909) 5.467 7.452 ( 2.484 0.000 -3.310) 4.138 7.590 ( -1.218 0.000 1.190) 1.703 7.885 ( 6.765 0.000 0.585) 6.790 7.899 ( -1.215 0.000 4.887) 5.036 8.165 ( -4.031 0.000 -7.187) 8.240 10.851 ( -0.157 0.000 -0.463) 0.489 11.028 ( 1.758 0.000 -0.839) 1.948 11.210 ( -0.885 0.000 2.075) 2.256 11.313 ( -1.982 0.000 2.526) 3.210 11.536 ( -2.024 0.000 -3.385) 3.944 11.549 ( -1.372 0.000 -2.036) 2.455 11.850 ( -1.413 0.000 -1.929) 2.391 11.885 ( -2.793 0.000 -3.522) 4.495 12.653 ( -1.911 0.000 2.535) 3.174 12.722 ( -1.425 0.000 -0.366) 1.471 13.259 ( -2.325 0.000 3.367) 4.092 13.468 ( 0.143 0.000 5.180) 5.182 20.404 ( -3.941 0.000 1.845) 4.352 20.483 ( -2.706 0.000 -5.628) 6.245 20.650 ( 0.611 0.000 -2.708) 2.776 20.700 ( -4.011 0.000 0.686) 4.069 21.179 ( 2.862 0.000 2.302) 3.673 21.426 ( -7.561 0.000 1.004) 7.627 21.586 ( 10.123 0.000 -2.761) 10.492 22.149 ( 6.867 0.000 -2.002) 7.153 22.656 ( -2.143 0.000 -1.409) 2.565 22.682 ( -1.769 0.000 -0.453) 1.826 23.200 ( -4.643 0.000 0.472) 4.667 23.459 ( -2.515 0.000 -5.670) 6.203 ======================= Grid point 113 (57/108) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -17.256 0.000 14.392) 22.469 1.410 ( -16.910 0.000 11.440) 20.416 2.059 ( -11.280 0.000 -1.879) 11.436 2.395 ( 0.318 0.000 -10.884) 10.889 2.426 ( -14.749 0.000 10.087) 17.868 2.555 ( -6.437 0.000 -2.866) 7.046 2.624 ( -10.597 0.000 11.330) 15.514 2.680 ( -4.558 0.000 0.529) 4.588 2.990 ( -8.915 0.000 -0.288) 8.919 3.040 ( -6.352 0.000 -2.422) 6.798 3.060 ( 3.276 0.000 5.201) 6.147 3.513 ( -0.444 0.000 -2.956) 2.989 3.694 ( 0.078 0.000 -4.596) 4.596 3.741 ( -2.828 0.000 -7.202) 7.738 3.905 ( 7.340 0.000 0.129) 7.341 3.988 ( 6.809 0.000 -5.196) 8.565 3.991 ( 1.520 0.000 5.789) 5.985 4.392 ( 7.391 0.000 -3.829) 8.324 4.606 ( 1.321 0.000 7.813) 7.924 4.679 ( -0.522 0.000 2.814) 2.862 4.899 ( 6.880 0.000 1.734) 7.095 4.930 ( -1.202 0.000 2.954) 3.189 5.016 ( 7.365 0.000 7.610) 10.591 5.073 ( 3.699 0.000 -3.047) 4.792 5.175 ( 2.681 0.000 1.629) 3.138 5.330 ( 3.728 0.000 -5.617) 6.742 5.336 ( 8.110 0.000 2.385) 8.453 5.467 ( 2.671 0.000 -0.817) 2.793 5.725 ( 0.253 0.000 1.802) 1.820 5.831 ( 2.591 0.000 -4.811) 5.464 5.860 ( 0.033 0.000 5.749) 5.749 6.011 ( -7.685 0.000 2.212) 7.997 6.088 ( 2.734 0.000 -3.567) 4.494 6.107 ( -3.722 0.000 3.106) 4.847 6.247 ( 1.069 0.000 6.875) 6.957 6.322 ( -5.874 0.000 0.302) 5.882 6.450 ( -1.157 0.000 -3.778) 3.951 6.508 ( 7.375 0.000 -1.343) 7.496 6.663 ( -0.046 0.000 -1.223) 1.224 6.860 ( 2.329 0.000 1.595) 2.823 7.143 ( 1.256 0.000 -0.856) 1.520 7.324 ( -0.653 0.000 -9.072) 9.096 7.440 ( 3.251 0.000 4.592) 5.626 7.467 ( -0.697 0.000 1.466) 1.624 7.629 ( 4.811 0.000 -2.612) 5.475 7.904 ( 1.894 0.000 5.241) 5.572 8.033 ( 2.516 0.000 -2.629) 3.639 8.102 ( 3.002 0.000 -5.079) 5.899 10.866 ( 1.869 0.000 -1.453) 2.368 11.062 ( 1.552 0.000 -0.163) 1.560 11.186 ( -1.751 0.000 0.720) 1.893 11.270 ( -2.075 0.000 2.343) 3.130 11.480 ( -3.363 0.000 -1.789) 3.810 11.514 ( -1.988 0.000 -1.854) 2.719 11.810 ( -2.370 0.000 -2.901) 3.746 11.816 ( -3.644 0.000 -3.895) 5.333 12.640 ( 1.505 0.000 4.317) 4.572 12.697 ( -0.929 0.000 0.930) 1.314 13.206 ( -2.716 0.000 3.454) 4.394 13.446 ( -2.454 0.000 5.705) 6.210 20.336 ( -2.700 0.000 -0.080) 2.701 20.420 ( -2.905 0.000 -4.596) 5.437 20.647 ( -1.280 0.000 -0.363) 1.330 20.659 ( 0.368 0.000 -2.187) 2.218 21.172 ( -3.606 0.000 1.136) 3.780 21.349 ( 0.616 0.000 3.080) 3.141 21.782 ( 8.694 0.000 -4.476) 9.779 22.234 ( 0.928 0.000 -7.620) 7.676 22.651 ( -0.943 0.000 -0.801) 1.237 22.654 ( 2.508 0.000 0.625) 2.585 23.092 ( -5.745 0.000 0.711) 5.789 23.349 ( -9.020 0.000 -9.263) 12.930 ======================= Grid point 114 (58/108) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( -6.578 0.000 20.616) 21.640 1.085 ( -13.844 0.000 16.719) 21.707 1.766 ( -18.022 0.000 9.121) 20.199 2.128 ( -10.470 0.000 16.675) 19.690 2.374 ( -7.293 0.000 -7.053) 10.145 2.422 ( 0.008 0.000 -0.946) 0.946 2.514 ( -2.052 0.000 -0.788) 2.198 2.660 ( 0.880 0.000 -7.380) 7.432 2.829 ( -5.422 0.000 0.658) 5.462 2.965 ( 0.183 0.000 -4.708) 4.712 3.133 ( 3.249 0.000 3.330) 4.653 3.519 ( 0.608 0.000 -2.056) 2.144 3.698 ( 0.450 0.000 -4.302) 4.325 3.702 ( -0.544 0.000 -7.660) 7.679 4.065 ( 6.065 0.000 3.358) 6.932 4.100 ( 10.837 0.000 2.240) 11.066 4.165 ( 9.969 0.000 -8.356) 13.007 4.475 ( 0.770 0.000 -2.001) 2.144 4.560 ( -6.661 0.000 2.539) 7.129 4.671 ( -1.225 0.000 0.206) 1.242 4.851 ( -3.119 0.000 7.540) 8.160 4.960 ( 2.693 0.000 -2.280) 3.528 5.088 ( 1.685 0.000 8.839) 8.998 5.190 ( 4.967 0.000 0.504) 4.992 5.295 ( 6.317 0.000 4.567) 7.795 5.454 ( 2.007 0.000 6.243) 6.557 5.459 ( -3.952 0.000 -0.194) 3.957 5.518 ( 10.805 0.000 -5.024) 11.916 5.697 ( -3.017 0.000 2.079) 3.663 5.772 ( -8.973 0.000 1.881) 9.168 5.786 ( -6.542 0.000 0.694) 6.578 5.962 ( 3.779 0.000 -2.554) 4.561 6.030 ( -3.928 0.000 6.925) 7.962 6.080 ( 1.675 0.000 0.210) 1.688 6.233 ( 0.348 0.000 2.969) 2.990 6.386 ( -3.546 0.000 -0.537) 3.586 6.415 ( 9.202 0.000 3.107) 9.712 6.626 ( 2.973 0.000 -1.919) 3.539 6.643 ( -2.167 0.000 -1.639) 2.717 6.874 ( -1.213 0.000 0.267) 1.242 7.144 ( -1.190 0.000 -2.696) 2.947 7.291 ( -2.141 0.000 -10.591) 10.805 7.455 ( -0.051 0.000 4.278) 4.278 7.495 ( 1.698 0.000 5.118) 5.392 7.751 ( 6.355 0.000 -4.178) 7.606 7.972 ( 3.879 0.000 5.622) 6.831 7.983 ( -2.636 0.000 -6.347) 6.873 8.263 ( 6.780 0.000 -2.707) 7.300 10.936 ( 5.055 0.000 -2.674) 5.718 11.067 ( -3.427 0.000 -0.735) 3.505 11.144 ( -0.485 0.000 1.208) 1.302 11.236 ( -1.104 0.000 2.328) 2.576 11.396 ( -4.743 0.000 -0.178) 4.747 11.471 ( -1.937 0.000 -1.857) 2.683 11.740 ( -3.488 0.000 -4.321) 5.553 11.753 ( -2.999 0.000 -3.771) 4.818 12.690 ( 0.346 0.000 2.225) 2.252 12.766 ( 11.148 0.000 3.455) 11.671 13.169 ( 0.383 0.000 4.465) 4.482 13.373 ( -4.447 0.000 4.639) 6.427 20.298 ( -0.857 0.000 -1.549) 1.770 20.371 ( -1.629 0.000 -3.863) 4.192 20.644 ( 0.927 0.000 -0.931) 1.314 20.663 ( -0.119 0.000 -0.496) 0.510 21.120 ( -0.020 0.000 -1.133) 1.133 21.380 ( 1.182 0.000 7.649) 7.740 21.874 ( -3.845 0.000 -12.840) 13.403 22.210 ( -1.412 0.000 -9.187) 9.294 22.650 ( 0.983 0.000 -1.003) 1.404 22.723 ( 0.888 0.000 1.120) 1.429 22.973 ( -5.476 0.000 0.695) 5.520 23.060 ( -16.283 0.000 -8.812) 18.515 ======================= Grid point 115 (59/108) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 0.809 11.937 19.030) 22.479 1.181 ( -2.487 17.449 19.165) 26.038 1.610 ( -7.382 16.897 17.885) 25.688 1.988 ( -4.595 -7.169 6.538) 10.736 2.169 ( -1.445 -4.060 2.279) 4.875 2.320 ( -0.865 1.400 -0.434) 1.702 2.606 ( -2.350 0.674 -7.836) 8.208 2.727 ( 5.788 7.584 -5.877) 11.205 2.809 ( 2.301 -1.027 -4.621) 5.264 3.025 ( 3.042 -0.540 -3.293) 4.515 3.182 ( 0.499 -2.815 5.942) 6.594 3.526 ( 0.642 -1.882 -3.340) 3.887 3.629 ( 0.647 -0.423 -3.528) 3.611 3.828 ( 0.910 1.159 -5.619) 5.809 3.978 ( -1.246 -9.018 -3.175) 9.642 4.225 ( 4.281 -6.377 -7.157) 10.499 4.351 ( 4.772 3.933 1.998) 6.499 4.458 ( -5.776 1.767 0.169) 6.043 4.609 ( 12.521 6.510 -3.266) 14.486 4.643 ( -4.438 2.186 -4.145) 6.454 4.829 ( -0.149 -0.368 9.988) 9.996 4.944 ( -4.093 -2.509 8.343) 9.625 5.099 ( 0.703 -3.769 3.950) 5.505 5.247 ( 4.769 3.626 2.397) 6.453 5.291 ( -9.358 -1.232 2.172) 9.685 5.351 ( -0.243 -4.180 -1.274) 4.377 5.463 ( -7.385 1.235 7.639) 10.697 5.506 ( -3.475 -0.417 3.724) 5.111 5.623 ( 3.785 -5.402 0.494) 6.615 5.690 ( -0.689 -2.492 -0.552) 2.643 5.791 ( 0.834 4.044 0.709) 4.190 6.004 ( -1.045 -0.255 6.188) 6.281 6.069 ( 2.252 4.324 -4.623) 6.718 6.183 ( 1.616 0.734 2.919) 3.417 6.280 ( 0.778 5.705 0.854) 5.821 6.344 ( 4.546 -1.642 0.013) 4.834 6.522 ( -0.708 -4.581 -5.275) 7.022 6.614 ( -1.125 -2.012 -2.077) 3.103 6.651 ( 3.797 3.498 5.941) 7.871 6.834 ( -0.957 0.392 0.263) 1.067 7.113 ( -2.567 1.616 -3.607) 4.712 7.277 ( -1.605 1.188 -7.297) 7.565 7.456 ( 1.925 2.642 0.551) 3.315 7.616 ( -1.710 7.960 5.663) 9.918 7.820 ( 2.625 -3.361 -5.862) 7.249 7.990 ( 0.171 0.361 0.952) 1.032 8.010 ( 0.317 1.018 1.585) 1.910 8.263 ( -4.073 -1.750 -0.682) 4.485 10.887 ( -3.381 -2.231 1.728) 4.404 11.024 ( 5.796 -3.699 -2.975) 7.492 11.160 ( 1.147 0.062 1.358) 1.778 11.249 ( -4.697 -2.046 0.528) 5.150 11.346 ( -0.628 6.503 0.304) 6.540 11.477 ( -1.029 2.380 -2.397) 3.531 11.678 ( -1.771 -0.537 -3.619) 4.065 11.699 ( -1.408 -0.083 -3.627) 3.891 12.712 ( 1.337 0.601 2.858) 3.212 12.914 ( 3.658 -3.331 -1.970) 5.325 13.256 ( 1.709 -3.224 3.273) 4.902 13.308 ( 8.251 -4.325 2.476) 9.639 20.266 ( 0.542 -2.578 -1.872) 3.232 20.311 ( 1.288 -3.167 -3.911) 5.195 20.665 ( -3.012 3.575 1.320) 4.857 20.749 ( 3.605 3.178 -1.504) 5.036 21.160 ( 4.743 -1.548 1.723) 5.278 21.285 ( -6.038 -4.714 7.143) 10.474 21.655 ( -24.473 16.810 -10.859) 31.614 22.145 ( -5.740 -1.796 -11.232) 12.741 22.614 ( -5.240 3.108 2.917) 6.755 22.695 ( 1.168 1.047 0.589) 1.675 22.888 ( -1.393 -0.116 -0.569) 1.509 22.973 ( 5.403 -1.780 -2.722) 6.307 ======================= Grid point 116 (60/108) ======================= q-point: ( 0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 1.076 13.286 20.700) 24.620 1.208 ( 8.974 11.977 17.386) 22.940 1.707 ( 14.272 13.884 13.305) 23.947 1.959 ( 1.942 -7.644 4.061) 8.871 2.164 ( 0.886 2.015 2.277) 3.167 2.350 ( 3.504 -3.494 -0.119) 4.950 2.563 ( -0.519 2.156 -6.494) 6.863 2.838 ( 5.141 4.611 -2.313) 7.282 2.888 ( 4.741 5.062 -4.470) 8.251 3.100 ( 3.537 -4.441 -0.270) 5.684 3.200 ( 1.471 -1.621 3.453) 4.088 3.519 ( -1.961 -1.018 -3.121) 3.824 3.612 ( -2.363 -2.085 -3.240) 4.520 3.798 ( -1.929 -8.873 2.067) 9.313 3.967 ( 2.606 4.463 -9.385) 10.714 4.225 ( -4.200 1.708 -4.442) 6.348 4.325 ( -6.143 2.833 -0.525) 6.785 4.386 ( -2.208 -5.960 -5.973) 8.722 4.626 ( 2.122 -1.498 3.074) 4.024 4.757 ( -7.745 -2.537 11.950) 14.465 4.860 ( -1.938 -2.610 1.732) 3.684 4.886 ( 10.941 7.178 -4.241) 13.756 5.055 ( -2.877 -0.322 3.458) 4.510 5.072 ( -10.180 5.767 8.062) 14.209 5.300 ( -5.567 0.111 4.360) 7.072 5.325 ( -3.551 -4.140 -1.738) 5.724 5.369 ( 3.034 1.600 2.113) 4.028 5.467 ( -3.753 -0.297 5.411) 6.592 5.630 ( 0.662 -2.086 -0.967) 2.393 5.681 ( -0.129 -1.764 1.047) 2.055 5.855 ( 1.567 -3.110 0.332) 3.499 6.015 ( 1.609 -3.855 4.224) 5.940 6.054 ( -2.063 2.655 -0.379) 3.384 6.230 ( 5.737 -0.907 1.709) 6.054 6.295 ( -0.012 -0.205 -4.655) 4.659 6.425 ( -2.106 -0.850 1.286) 2.610 6.528 ( 3.776 -0.675 -5.595) 6.784 6.562 ( -1.852 1.024 -0.064) 2.117 6.696 ( -0.612 1.897 2.097) 2.893 6.869 ( 2.461 2.457 -1.410) 3.753 7.064 ( -1.024 1.096 -2.197) 2.660 7.251 ( -0.848 0.763 -5.653) 5.767 7.464 ( -1.844 4.775 0.149) 5.121 7.595 ( 0.478 5.982 3.919) 7.167 7.829 ( -2.124 -3.506 -5.463) 6.830 7.942 ( -5.712 -4.101 5.790) 9.109 7.999 ( -0.569 3.902 -2.851) 4.866 8.121 ( -6.472 2.465 2.243) 7.280 10.833 ( -1.331 1.259 0.830) 2.012 11.084 ( -1.861 -5.228 -0.604) 5.582 11.171 ( 0.163 -0.700 1.757) 1.898 11.230 ( 3.964 -1.333 -0.484) 4.211 11.360 ( 1.664 4.569 1.854) 5.204 11.478 ( 1.234 2.132 -2.879) 3.789 11.668 ( 0.860 -0.291 -2.789) 2.933 11.701 ( 1.740 0.213 -3.086) 3.550 12.735 ( 0.790 0.983 1.517) 1.973 12.918 ( -1.429 -1.546 -2.728) 3.446 13.248 ( 0.620 -0.513 1.506) 1.708 13.532 ( 6.041 -13.560 1.214) 14.895 20.299 ( 3.068 -1.236 -2.179) 3.961 20.366 ( 3.971 -1.678 -4.046) 5.912 20.589 ( -4.411 5.037 0.703) 6.732 20.857 ( 5.608 -0.317 1.414) 5.792 20.963 ( -13.193 17.834 -2.326) 22.305 21.268 ( -0.181 3.870 5.139) 6.435 21.383 ( 0.298 0.725 10.486) 10.515 21.986 ( -8.758 -3.386 -11.208) 14.621 22.585 ( 0.478 0.813 0.154) 0.955 22.682 ( -1.664 -0.075 1.313) 2.121 22.947 ( 5.998 1.444 -1.119) 6.270 23.110 ( 6.880 -1.981 -3.212) 7.847 ======================= Grid point 117 (61/108) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 11.729 8.547 14.293) 20.369 1.488 ( 16.273 7.897 13.757) 22.725 2.055 ( 12.996 -2.905 2.277) 13.511 2.071 ( 11.355 2.772 6.024) 13.149 2.221 ( 5.849 1.049 4.923) 7.717 2.428 ( 3.635 0.174 0.736) 3.713 2.640 ( 8.419 3.766 -5.406) 10.690 2.936 ( 4.320 4.690 -0.423) 6.390 2.981 ( 4.379 7.435 -1.867) 8.828 3.150 ( 1.105 -5.574 3.288) 6.565 3.260 ( 4.501 1.019 1.226) 4.775 3.453 ( -2.173 -5.235 -4.917) 7.504 3.603 ( 2.039 -4.012 -1.053) 4.622 3.821 ( 2.870 -8.800 1.664) 9.405 4.016 ( 0.339 3.515 -7.543) 8.329 4.105 ( -5.426 6.268 -3.847) 9.140 4.190 ( -6.735 3.967 -0.987) 7.879 4.331 ( -3.035 -4.071 -4.283) 6.643 4.564 ( -8.981 -0.050 10.096) 13.513 4.657 ( -0.322 -7.263 5.629) 9.195 4.720 ( -11.745 -5.423 5.039) 13.883 4.893 ( -4.536 3.885 2.590) 6.510 4.971 ( -12.023 -3.528 1.568) 12.628 5.036 ( 0.700 2.400 1.414) 2.872 5.167 ( 1.150 6.707 -0.638) 6.835 5.289 ( -6.486 4.097 -0.824) 7.716 5.382 ( 2.224 -1.781 -1.602) 3.269 5.466 ( 5.900 0.396 0.162) 5.915 5.618 ( -0.431 2.289 -0.575) 2.399 5.715 ( 0.504 -3.708 6.269) 7.301 5.837 ( -2.058 2.126 0.339) 2.978 5.995 ( 1.255 -6.202 2.421) 6.775 6.103 ( -1.979 -2.330 0.465) 3.092 6.204 ( -2.859 1.014 -5.518) 6.297 6.347 ( 3.356 -5.670 2.821) 7.167 6.427 ( 0.097 0.035 0.488) 0.499 6.489 ( -3.146 -0.838 -3.422) 4.723 6.564 ( -0.938 -0.765 -1.577) 1.988 6.704 ( 0.633 6.428 2.745) 7.018 6.827 ( -4.758 4.966 -2.495) 7.316 7.101 ( 2.499 -2.833 -2.916) 4.772 7.236 ( -0.353 -1.383 -2.260) 2.673 7.398 ( -4.058 6.374 -2.149) 7.856 7.605 ( -0.787 0.019 2.248) 2.382 7.760 ( -2.046 -2.017 -0.865) 3.000 7.826 ( -5.061 -1.396 2.773) 5.937 7.974 ( -1.822 3.122 0.801) 3.702 8.068 ( 1.054 1.796 -3.027) 3.674 10.831 ( 0.847 1.220 0.033) 1.486 11.009 ( -3.832 -2.751 1.349) 4.906 11.197 ( 1.242 -1.981 2.984) 3.791 11.311 ( 3.557 -2.175 -2.744) 4.991 11.401 ( 1.971 3.063 1.929) 4.121 11.521 ( 2.768 1.976 -3.407) 4.814 11.709 ( 3.022 0.618 -1.705) 3.525 11.760 ( 3.754 0.169 -2.831) 4.705 12.749 ( 0.669 0.724 -0.139) 0.995 12.879 ( -2.202 -1.021 -2.286) 3.334 13.280 ( 2.058 0.064 1.585) 2.599 13.536 ( -3.775 -9.258 5.923) 11.621 20.379 ( 3.309 1.934 -0.303) 3.845 20.470 ( 6.006 0.947 -5.527) 8.217 20.534 ( 1.097 6.319 -3.117) 7.131 20.824 ( -0.166 4.018 1.209) 4.200 21.014 ( 4.148 4.288 -2.293) 6.392 21.197 ( -2.010 5.638 10.683) 12.246 21.504 ( 7.451 -3.493 8.899) 12.121 21.797 ( -8.903 -4.856 -10.863) 14.861 22.601 ( 1.054 -0.382 -0.499) 1.228 22.659 ( -0.333 -0.063 0.479) 0.587 23.085 ( 6.778 1.766 -0.197) 7.007 23.239 ( 5.665 -1.686 -3.411) 6.824 ======================= Grid point 118 (62/108) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 17.233 2.627 7.106) 18.825 1.838 ( 16.596 5.311 11.611) 20.939 2.244 ( 8.724 -7.595 4.661) 12.471 2.256 ( 5.720 -2.689 -1.402) 6.474 2.476 ( 13.981 3.200 3.924) 14.870 2.519 ( 5.491 6.477 0.069) 8.491 2.815 ( 5.540 6.836 -0.867) 8.841 3.052 ( 8.148 3.961 -4.021) 9.912 3.075 ( 5.513 4.768 0.657) 7.318 3.163 ( 0.769 -4.438 4.011) 6.031 3.370 ( 5.399 2.078 2.525) 6.312 3.457 ( 2.220 -6.533 -4.913) 8.470 3.672 ( 3.764 -5.492 0.080) 6.659 3.856 ( -1.633 -3.337 0.364) 3.733 3.947 ( -3.558 1.305 -1.359) 4.026 4.047 ( -4.130 7.966 -0.994) 9.028 4.071 ( -2.700 0.780 -2.947) 4.073 4.214 ( -7.488 -2.504 3.916) 8.813 4.430 ( -4.195 1.823 4.409) 6.353 4.481 ( -10.688 -6.755 2.955) 12.985 4.627 ( -15.446 -4.697 4.013) 16.636 4.653 ( -1.013 -7.212 4.676) 8.655 4.853 ( -0.494 3.944 -2.481) 4.686 5.018 ( -3.563 -0.182 -0.462) 3.597 5.127 ( -5.276 2.871 -1.632) 6.225 5.198 ( -0.814 6.367 -3.071) 7.115 5.456 ( 3.135 -1.581 -1.737) 3.917 5.584 ( 1.755 -2.976 1.236) 3.670 5.664 ( 4.368 0.452 1.012) 4.506 5.698 ( 1.432 1.663 1.558) 2.691 5.793 ( -2.102 2.400 -0.169) 3.195 5.949 ( -7.382 2.111 -3.082) 8.273 6.070 ( 4.048 -6.539 3.637) 8.507 6.225 ( 0.337 1.379 2.488) 2.865 6.310 ( -4.203 1.613 0.068) 4.502 6.351 ( -5.995 1.739 0.199) 6.245 6.507 ( 3.065 -2.748 -2.225) 4.679 6.561 ( -0.134 -3.074 0.268) 3.088 6.622 ( -6.371 5.903 3.683) 9.434 6.798 ( 1.050 3.036 -3.891) 5.046 7.100 ( -2.024 -3.879 -0.682) 4.429 7.240 ( 0.229 -3.511 -1.855) 3.978 7.319 ( -2.833 5.491 -3.721) 7.213 7.561 ( -3.950 -4.241 -1.205) 5.920 7.726 ( -1.435 -1.380 2.122) 2.909 7.771 ( -0.513 -1.072 3.546) 3.740 7.952 ( 0.047 5.087 1.564) 5.322 8.123 ( 3.656 0.245 -6.467) 7.433 10.856 ( 1.375 0.043 -0.040) 1.377 10.944 ( -2.537 -1.703 1.620) 3.459 11.214 ( 0.426 -2.049 3.312) 3.918 11.376 ( 2.814 -3.278 -3.754) 5.723 11.434 ( 1.213 3.585 1.794) 4.189 11.580 ( 2.861 2.112 -3.863) 5.251 11.779 ( 3.436 1.196 -1.044) 3.785 11.840 ( 3.779 0.151 -2.899) 4.766 12.761 ( 0.450 0.129 -0.914) 1.027 12.831 ( -2.344 -0.361 -1.092) 2.611 13.323 ( 1.956 -0.117 1.869) 2.708 13.448 ( -4.025 -4.148 7.008) 9.084 20.419 ( 1.176 1.915 2.067) 3.054 20.550 ( 3.111 5.390 -7.622) 9.839 20.671 ( 9.174 -0.562 -3.655) 9.891 20.858 ( 2.266 -2.005 1.470) 3.363 20.965 ( -5.040 5.789 1.047) 7.746 21.252 ( 2.255 4.494 6.178) 7.965 21.638 ( 1.985 -4.226 -1.019) 4.779 21.656 ( -0.214 -3.953 0.115) 3.960 22.631 ( 1.951 -0.539 -0.353) 2.055 22.671 ( 1.430 0.203 -0.319) 1.480 23.211 ( 5.193 1.582 0.301) 5.437 23.340 ( 4.239 -1.321 -3.188) 5.466 ======================= Grid point 119 (63/108) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.902 ( 14.092 -0.592 3.683) 14.577 2.145 ( 12.492 3.984 10.832) 17.008 2.365 ( 4.600 -2.625 -2.729) 5.958 2.388 ( 4.368 -7.127 3.945) 9.243 2.613 ( 3.469 4.508 -0.937) 5.765 2.706 ( 7.525 3.091 2.552) 8.526 2.857 ( -0.421 5.960 0.889) 6.041 3.155 ( 2.129 2.382 -0.034) 3.195 3.201 ( 4.734 -2.870 0.149) 5.538 3.293 ( 11.379 3.917 -2.648) 12.322 3.440 ( 1.001 2.368 0.147) 2.576 3.503 ( -0.618 -2.734 2.306) 3.629 3.710 ( -1.697 -0.583 0.994) 2.051 3.774 ( -1.096 -0.161 -0.925) 1.443 3.899 ( -2.985 0.957 5.909) 6.689 3.939 ( -3.956 2.262 2.010) 4.981 4.034 ( 0.032 -1.810 -1.201) 2.172 4.137 ( -2.752 -1.461 0.298) 3.131 4.291 ( -6.582 -4.517 0.105) 7.983 4.301 ( -9.198 -2.554 4.438) 10.527 4.443 ( -0.362 -3.919 2.748) 4.800 4.622 ( -1.859 -3.573 4.288) 5.882 4.882 ( 0.571 0.967 -2.630) 2.860 4.923 ( -3.243 -5.327 -5.393) 8.246 5.056 ( -1.329 5.039 -2.237) 5.671 5.172 ( -1.688 4.868 -3.746) 6.370 5.471 ( -1.498 -2.626 0.356) 3.044 5.569 ( -2.036 -2.260 0.556) 3.092 5.674 ( -0.909 0.039 1.030) 1.374 5.766 ( 1.759 0.881 -1.729) 2.619 5.824 ( 4.458 1.197 0.077) 4.616 5.862 ( -1.426 9.863 -1.015) 10.017 6.109 ( -0.893 -2.788 5.188) 5.957 6.208 ( -0.947 2.012 3.086) 3.804 6.222 ( -2.653 -0.601 0.045) 2.721 6.294 ( 0.338 3.300 1.450) 3.620 6.469 ( -4.697 6.775 2.218) 8.537 6.508 ( -3.447 -0.942 2.477) 4.348 6.635 ( 4.175 -4.698 -4.429) 7.689 6.815 ( 0.491 0.344 -3.912) 3.957 7.066 ( -0.372 -4.403 1.366) 4.625 7.218 ( -2.460 -4.446 -2.081) 5.491 7.289 ( -0.124 2.918 -3.559) 4.604 7.455 ( -5.340 -3.436 -2.121) 6.695 7.721 ( 0.433 -1.788 2.784) 3.336 7.760 ( -0.931 -0.409 2.431) 2.635 7.971 ( 1.344 5.446 2.746) 6.245 8.193 ( 2.890 -1.037 -7.001) 7.644 10.881 ( 0.691 -1.618 0.707) 1.896 10.904 ( -1.151 -1.345 1.093) 2.081 11.218 ( 0.009 -1.426 2.678) 3.034 11.421 ( 1.550 -5.980 -3.931) 7.322 11.455 ( 0.926 6.430 1.652) 6.703 11.631 ( 2.120 2.603 -4.186) 5.365 11.840 ( 2.412 1.352 -0.902) 2.909 11.905 ( 2.498 0.156 -3.071) 3.962 12.761 ( -0.637 -0.340 -0.533) 0.897 12.790 ( -1.416 0.278 -0.399) 1.497 13.360 ( 1.469 -0.702 2.428) 2.923 13.384 ( -2.353 -1.405 5.416) 6.070 20.441 ( 0.921 -0.387 1.010) 1.420 20.602 ( 1.538 2.802 -4.605) 5.606 20.765 ( -2.891 0.078 5.776) 6.459 20.915 ( 6.802 -0.938 -5.014) 8.502 20.961 ( 4.472 4.798 -3.519) 7.444 21.191 ( -6.880 1.699 0.917) 7.145 21.673 ( 4.875 -2.488 -2.193) 5.896 21.717 ( 1.129 -3.111 7.377) 8.085 22.676 ( 2.179 -0.315 -0.183) 2.210 22.710 ( 1.991 0.272 -0.658) 2.114 23.293 ( 2.764 1.514 0.214) 3.159 23.412 ( 2.798 -1.130 -2.954) 4.223 ======================= Grid point 120 (64/108) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 1.402 0.046 5.010) 5.202 2.328 ( 2.573 3.672 12.031) 12.839 2.406 ( -0.512 -4.822 -4.194) 6.411 2.436 ( 2.143 -0.772 -0.422) 2.317 2.644 ( -0.222 -0.806 -2.114) 2.274 2.805 ( -0.997 9.104 -1.096) 9.224 2.836 ( 2.302 -0.259 4.363) 4.940 3.132 ( -3.811 0.783 1.438) 4.148 3.289 ( 0.939 -4.008 -1.560) 4.403 3.336 ( -9.879 -0.277 5.988) 11.555 3.462 ( 3.746 5.891 -1.137) 7.073 3.540 ( 6.648 1.625 -3.652) 7.757 3.684 ( 2.281 1.634 2.163) 3.543 3.789 ( -0.035 -0.938 0.100) 0.944 3.826 ( -6.405 -2.743 5.215) 8.703 3.937 ( 2.812 0.469 3.169) 4.263 4.032 ( -2.667 3.594 1.783) 4.817 4.075 ( -0.122 -5.994 1.973) 6.312 4.133 ( -3.051 0.810 -0.514) 3.198 4.278 ( 3.387 -2.591 2.170) 4.785 4.495 ( 2.412 -8.351 2.432) 9.026 4.609 ( 1.405 -1.298 2.132) 2.864 4.829 ( -0.632 -5.070 -3.307) 6.086 4.950 ( 2.851 -4.388 -5.707) 7.743 5.038 ( -2.121 5.208 -2.977) 6.363 5.140 ( -0.554 3.227 -4.223) 5.343 5.441 ( -0.146 -0.733 0.782) 1.082 5.545 ( -1.887 1.253 -0.833) 2.414 5.609 ( -2.184 3.731 2.454) 4.971 5.802 ( -3.347 6.554 1.466) 7.504 5.849 ( 0.612 0.714 -0.749) 1.202 5.913 ( 7.491 1.951 -3.120) 8.347 6.100 ( -0.440 2.373 6.401) 6.841 6.168 ( 0.644 -1.191 5.872) 6.026 6.255 ( 1.591 0.471 -2.912) 3.351 6.310 ( 0.732 2.824 2.511) 3.850 6.397 ( -3.137 -0.500 -1.344) 3.450 6.437 ( -1.959 5.605 3.673) 6.981 6.707 ( 2.612 -3.749 -3.405) 5.698 6.816 ( -0.496 -1.553 -3.760) 4.099 7.096 ( 2.848 -4.719 1.180) 5.637 7.150 ( -3.386 -4.623 -0.561) 5.758 7.302 ( 1.135 0.327 -3.312) 3.516 7.366 ( -2.762 -2.772 -2.612) 4.705 7.725 ( -1.396 0.683 1.188) 1.957 7.744 ( 0.638 -0.293 3.030) 3.110 7.991 ( 0.268 4.735 3.111) 5.672 8.229 ( 0.595 -1.761 -6.475) 6.736 10.868 ( -1.203 -1.623 1.225) 2.362 10.909 ( 0.741 -3.254 0.706) 3.411 11.217 ( -0.203 -0.478 1.858) 1.929 11.438 ( 0.363 -5.162 -2.398) 5.703 11.472 ( 0.499 6.260 0.126) 6.281 11.662 ( 0.822 3.085 -4.280) 5.340 11.874 ( 0.904 1.238 -0.985) 1.822 11.938 ( 0.652 0.152 -3.202) 3.272 12.736 ( -1.554 0.155 0.887) 1.796 12.769 ( -0.899 -0.089 -0.861) 1.248 13.340 ( -1.728 -0.185 4.244) 4.586 13.395 ( 1.559 -1.234 2.837) 3.464 20.453 ( 0.218 -2.450 -0.393) 2.491 20.570 ( -4.443 -2.569 2.738) 5.817 20.735 ( 0.924 8.129 -1.545) 8.326 20.977 ( -2.926 -0.209 -0.543) 2.983 21.046 ( -1.263 1.769 -2.154) 3.060 21.148 ( 9.379 0.107 -5.857) 11.058 21.696 ( -2.941 -1.512 5.555) 6.465 21.799 ( 6.798 -2.711 1.828) 7.543 22.708 ( 0.676 -0.172 -0.198) 0.725 22.738 ( 0.446 0.314 -0.749) 0.927 23.323 ( 0.080 1.677 -0.048) 1.680 23.454 ( 1.324 -1.243 -2.945) 3.460 ======================= Grid point 121 (65/108) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -11.750 2.295 8.658) 14.774 2.193 ( -11.628 8.577 8.357) 16.692 2.407 ( -1.039 -3.862 -8.465) 9.362 2.478 ( -0.114 0.714 1.572) 1.730 2.606 ( -3.709 -3.463 -0.340) 5.086 2.707 ( -6.201 3.198 -0.311) 6.984 2.917 ( 3.588 1.904 0.595) 4.105 2.997 ( -9.412 -1.919 5.274) 10.959 3.136 ( -7.436 0.538 2.101) 7.746 3.273 ( -3.583 -3.139 -0.037) 4.764 3.473 ( -3.735 4.864 4.086) 7.369 3.570 ( -3.826 -4.198 0.120) 5.681 3.705 ( -0.999 0.836 2.445) 2.771 3.791 ( 2.442 3.316 -0.229) 4.124 3.829 ( 3.139 -2.465 -4.726) 6.186 3.910 ( -2.587 -1.826 4.923) 5.854 3.986 ( -0.191 2.254 -0.669) 2.359 4.046 ( 0.405 5.801 -0.204) 5.818 4.293 ( 12.594 -4.563 3.027) 13.733 4.418 ( 9.343 -6.491 3.239) 11.829 4.503 ( 0.438 -5.321 3.853) 6.584 4.677 ( 4.441 -3.205 -0.886) 5.548 4.900 ( 5.790 -1.409 -3.486) 6.904 4.962 ( -3.308 4.187 0.753) 5.389 5.022 ( 3.907 -3.783 -4.227) 6.888 5.153 ( 1.312 -1.040 -4.743) 5.030 5.460 ( -2.897 5.027 1.130) 5.911 5.474 ( 1.758 0.502 1.056) 2.112 5.649 ( 3.635 6.160 0.037) 7.152 5.730 ( -2.598 3.917 1.564) 4.954 5.851 ( 1.270 3.051 -3.098) 4.530 6.040 ( 0.075 0.759 1.463) 1.650 6.128 ( 5.455 -1.021 2.256) 5.991 6.203 ( 1.798 -0.254 5.301) 5.604 6.254 ( -1.215 -0.429 -1.735) 2.161 6.292 ( -2.959 2.122 1.650) 3.998 6.363 ( 1.534 -0.306 -1.406) 2.103 6.452 ( 2.000 6.172 2.051) 6.804 6.731 ( -1.211 -3.954 -1.005) 4.256 6.794 ( -0.672 -1.733 -3.306) 3.792 7.085 ( -1.221 -2.252 0.385) 2.590 7.189 ( 4.580 -5.481 1.316) 7.263 7.312 ( 0.177 -0.975 -3.625) 3.758 7.368 ( 2.621 -2.727 -3.142) 4.917 7.686 ( -1.888 3.292 1.468) 4.070 7.779 ( 2.680 -0.453 2.480) 3.680 7.978 ( -1.506 4.184 2.840) 5.276 8.213 ( -2.032 -1.931 -6.036) 6.656 10.845 ( -0.997 -1.642 0.693) 2.042 10.922 ( 0.522 -5.234 1.131) 5.380 11.211 ( -0.440 0.417 1.337) 1.468 11.440 ( -0.087 -3.802 -1.708) 4.169 11.471 ( -0.568 5.926 -0.558) 5.980 11.662 ( -0.712 3.361 -4.021) 5.289 11.877 ( -0.578 0.879 -1.217) 1.609 11.930 ( -1.254 0.126 -3.253) 3.489 12.701 ( -1.917 0.497 1.638) 2.570 12.747 ( -1.297 -0.378 -0.643) 1.497 13.308 ( -1.576 0.695 3.474) 3.878 13.426 ( 1.247 -1.949 3.719) 4.380 20.445 ( -1.158 -3.794 -1.591) 4.274 20.470 ( -4.686 -2.352 2.847) 5.966 20.762 ( 1.199 9.086 -3.582) 9.840 20.850 ( -6.255 3.109 0.926) 7.046 21.086 ( 2.801 -1.485 -1.535) 3.522 21.327 ( 6.251 -4.502 -4.557) 8.950 21.626 ( -2.361 3.543 3.307) 5.391 21.950 ( 7.797 -3.620 1.506) 8.727 22.699 ( -1.496 -0.074 -0.685) 1.647 22.725 ( -1.545 0.369 -0.684) 1.730 23.297 ( -2.496 1.999 -0.170) 3.202 23.464 ( -0.325 -1.741 -3.444) 3.873 ======================= Grid point 122 (66/108) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -16.437 5.910 11.689) 21.018 1.917 ( -14.907 12.293 8.453) 21.090 2.338 ( -7.848 -3.129 0.424) 8.460 2.409 ( -3.208 8.054 -9.150) 12.605 2.509 ( -5.139 -9.975 3.549) 11.768 2.589 ( -5.388 -2.835 -2.245) 6.489 2.793 ( -9.240 -0.280 2.810) 9.662 2.905 ( -8.025 -1.395 4.919) 9.515 3.056 ( 0.835 1.735 2.144) 2.882 3.108 ( -10.660 -0.875 2.269) 10.934 3.345 ( -8.189 6.438 3.581) 11.015 3.514 ( -0.244 -3.345 -3.176) 4.619 3.653 ( -4.344 -1.531 -0.778) 4.671 3.845 ( 2.063 3.519 -0.386) 4.097 3.868 ( 1.226 -4.470 3.320) 5.702 3.888 ( 2.322 2.409 -2.044) 3.920 3.957 ( -1.902 3.829 -6.708) 7.954 4.179 ( 8.737 -0.989 0.133) 8.793 4.439 ( 2.732 -7.419 5.105) 9.411 4.638 ( 9.455 -7.639 3.600) 12.677 4.660 ( 14.462 -2.802 3.380) 15.113 4.772 ( 4.309 -1.368 -0.649) 4.568 4.900 ( -0.563 5.090 5.158) 7.269 5.046 ( 6.013 1.265 -0.725) 6.188 5.106 ( 4.316 -2.494 -2.144) 5.426 5.185 ( 2.285 -2.891 -4.181) 5.573 5.418 ( -3.382 6.293 0.756) 7.184 5.499 ( 2.367 4.945 -0.646) 5.520 5.719 ( 1.011 0.676 1.848) 2.212 5.740 ( 5.311 3.417 -1.755) 6.555 5.915 ( 4.066 5.632 -3.477) 7.768 6.001 ( -1.969 -1.718 3.194) 4.126 6.140 ( -6.597 -4.240 2.133) 8.127 6.165 ( -1.804 0.834 0.780) 2.135 6.238 ( -0.567 0.156 0.131) 0.602 6.358 ( 7.515 -1.084 -0.621) 7.618 6.423 ( 3.573 1.633 -2.195) 4.500 6.465 ( -2.257 4.030 4.036) 6.134 6.648 ( -4.498 -4.550 -3.082) 7.102 6.822 ( 2.769 0.493 2.410) 3.704 7.098 ( 2.100 -0.570 0.469) 2.226 7.277 ( 3.622 -4.569 0.425) 5.846 7.327 ( 1.246 -0.632 -4.286) 4.508 7.444 ( 4.754 -2.176 -3.423) 6.249 7.658 ( -0.628 5.387 2.376) 5.921 7.858 ( 4.468 -1.458 2.794) 5.468 7.948 ( -0.340 3.432 1.759) 3.872 8.149 ( -3.808 -1.665 -5.947) 7.255 10.831 ( -0.190 -1.691 0.019) 1.702 10.932 ( 0.379 -6.879 1.482) 7.046 11.199 ( -0.705 1.069 1.107) 1.693 11.431 ( -0.873 -4.768 -1.809) 5.174 11.451 ( -1.224 8.023 -0.600) 8.138 11.632 ( -2.069 3.370 -3.466) 5.258 11.852 ( -1.766 0.296 -1.708) 2.474 11.887 ( -2.799 0.095 -3.329) 4.351 12.661 ( -1.824 0.709 2.458) 3.142 12.717 ( -1.467 -0.525 0.095) 1.561 13.272 ( -2.034 1.356 3.224) 4.046 13.441 ( -0.076 -2.527 4.679) 5.319 20.382 ( -3.749 -1.889 1.826) 4.578 20.408 ( -2.445 -4.388 -3.321) 6.021 20.747 ( -3.717 4.504 0.703) 5.882 20.774 ( 0.079 9.113 -3.441) 9.741 21.138 ( 1.785 -3.844 1.545) 4.511 21.335 ( -3.805 -6.816 -1.522) 7.953 21.684 ( 7.374 7.453 -1.489) 10.589 22.108 ( 7.021 -3.971 -2.099) 8.335 22.658 ( -1.940 0.266 -0.777) 2.106 22.685 ( -2.038 0.128 -0.520) 2.107 23.223 ( -4.650 2.207 -0.100) 5.148 23.432 ( -3.026 -2.585 -4.946) 6.348 ======================= Grid point 123 (67/108) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( -14.378 10.308 14.783) 23.054 1.602 ( -15.396 15.239 11.407) 24.483 2.133 ( -10.601 2.452 3.180) 11.336 2.328 ( -7.319 -2.680 3.674) 8.617 2.386 ( -6.898 -9.798 0.255) 11.985 2.504 ( -3.232 3.071 -4.094) 6.052 2.607 ( -8.889 1.778 3.278) 9.640 2.702 ( -6.034 0.939 1.065) 6.199 2.917 ( -7.252 -2.791 -3.662) 8.590 3.100 ( 0.697 1.866 0.928) 2.197 3.174 ( -6.479 6.550 4.166) 10.111 3.517 ( -0.370 -0.161 -2.033) 2.072 3.592 ( -0.656 -5.557 -3.145) 6.419 3.826 ( -1.435 -0.855 -1.592) 2.308 3.901 ( -0.315 -2.263 -1.297) 2.628 3.966 ( 5.830 4.852 -1.299) 7.695 4.012 ( 7.396 2.171 -4.282) 8.818 4.318 ( 4.564 -5.172 -3.276) 7.636 4.540 ( 7.183 -3.471 4.977) 9.402 4.737 ( -1.441 -6.775 3.904) 7.951 4.833 ( 2.696 3.949 4.214) 6.373 4.932 ( 9.400 -1.758 4.699) 10.656 4.951 ( 3.589 -3.412 3.605) 6.125 5.129 ( 3.567 3.184 0.235) 4.787 5.193 ( 2.495 1.121 1.721) 3.232 5.281 ( 6.862 -1.002 1.191) 7.037 5.338 ( -0.280 1.844 -3.388) 3.868 5.587 ( 4.216 5.572 -1.897) 7.240 5.744 ( 1.237 0.685 0.781) 1.615 5.827 ( 0.070 0.435 0.097) 0.451 5.910 ( -2.634 2.906 2.033) 4.418 5.982 ( -6.570 -2.766 2.014) 7.407 6.043 ( 3.235 -1.268 -2.561) 4.317 6.117 ( -1.686 1.025 -2.063) 2.854 6.269 ( 3.022 -0.136 1.352) 3.313 6.339 ( -7.586 2.242 2.666) 8.347 6.451 ( -1.059 -0.489 -1.802) 2.147 6.509 ( 6.954 -1.258 -0.147) 7.068 6.617 ( 0.514 -1.208 -0.431) 1.382 6.877 ( 1.716 0.738 4.152) 4.553 7.143 ( 1.644 0.408 -1.129) 2.036 7.325 ( 0.742 -2.033 -3.807) 4.379 7.359 ( 2.120 -0.198 -1.907) 2.859 7.558 ( 6.036 0.598 -2.151) 6.435 7.662 ( 0.943 5.409 2.128) 5.888 7.905 ( 1.563 0.077 4.661) 4.917 8.031 ( 3.486 -0.255 -1.726) 3.898 8.083 ( 1.354 -1.807 -4.393) 4.940 10.845 ( 1.743 -1.826 -0.912) 2.684 10.939 ( 0.232 -7.847 1.931) 8.085 11.182 ( -0.988 1.504 0.889) 2.007 11.399 ( -2.195 -4.763 -1.323) 5.409 11.423 ( -1.633 8.887 -1.418) 9.146 11.579 ( -2.923 3.135 -2.804) 5.122 11.806 ( -2.667 -0.266 -2.550) 3.699 11.819 ( -3.657 0.012 -3.697) 5.200 12.645 ( 0.993 0.515 4.000) 4.154 12.692 ( -0.732 -0.434 1.279) 1.537 13.224 ( -2.622 1.746 3.283) 4.550 13.417 ( -2.410 -2.738 5.080) 6.254 20.315 ( -2.748 -1.765 -0.074) 3.267 20.354 ( -2.508 -4.321 -3.601) 6.159 20.695 ( -1.483 4.550 -0.097) 4.787 20.768 ( -0.630 8.403 -1.674) 8.591 21.122 ( -3.046 -4.536 0.035) 5.464 21.295 ( 0.828 -4.977 2.661) 5.704 21.855 ( 8.218 6.387 -5.338) 11.697 22.208 ( 2.135 -2.638 -7.682) 8.398 22.647 ( 0.151 -0.231 0.146) 0.312 22.655 ( 0.731 -0.073 0.150) 0.750 23.111 ( -6.119 1.850 0.063) 6.393 23.315 ( -8.956 -3.110 -7.611) 12.157 ======================= Grid point 124 (68/108) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.117 ( -6.320 12.580 17.940) 22.804 1.318 ( -11.480 18.635 15.538) 26.842 1.883 ( -14.907 9.269 8.827) 19.648 2.129 ( -9.314 -3.686 13.187) 16.560 2.240 ( -5.861 -11.190 2.515) 12.880 2.381 ( -5.042 6.230 3.610) 8.791 2.607 ( 4.463 2.011 -11.348) 12.359 2.647 ( -0.746 2.328 -7.230) 7.632 2.812 ( -2.571 -2.396 -4.398) 5.630 3.021 ( -3.314 4.282 -1.420) 5.598 3.165 ( 1.206 0.241 5.996) 6.121 3.512 ( 0.391 -2.346 -1.650) 2.894 3.607 ( 1.337 -1.746 -4.291) 4.822 3.812 ( 0.253 2.508 -6.094) 6.595 3.930 ( 3.500 -9.580 1.227) 10.273 4.097 ( 7.014 -0.629 -4.194) 8.196 4.202 ( 9.783 3.488 -2.951) 10.798 4.401 ( 4.922 -2.137 -2.241) 5.815 4.627 ( -7.494 1.224 3.111) 8.206 4.682 ( 4.103 1.479 1.508) 4.614 4.857 ( -2.901 1.092 6.595) 7.287 4.952 ( 0.838 1.149 1.790) 2.286 5.045 ( 3.052 -5.962 5.170) 8.461 5.202 ( 0.305 2.405 3.832) 4.534 5.244 ( 5.564 -3.128 3.425) 7.244 5.421 ( 6.254 -0.675 1.146) 6.394 5.461 ( 7.426 -3.701 -0.461) 8.310 5.599 ( -4.931 6.009 -0.205) 7.776 5.657 ( -10.477 -7.429 1.768) 12.965 5.752 ( -2.038 0.961 -1.563) 2.742 5.826 ( -5.025 4.406 1.808) 6.923 5.993 ( 3.334 2.160 0.070) 3.973 6.050 ( -1.052 3.005 1.383) 3.471 6.109 ( 2.138 2.100 1.003) 3.160 6.261 ( -0.263 1.440 1.820) 2.336 6.320 ( 0.581 -3.416 -1.006) 3.608 6.471 ( 4.755 0.808 0.654) 4.868 6.603 ( -1.833 -0.396 -0.561) 1.958 6.623 ( 3.257 -0.935 0.332) 3.405 6.875 ( -1.884 -0.313 2.571) 3.202 7.152 ( -0.827 1.066 -3.011) 3.300 7.313 ( -1.429 0.405 -7.097) 7.251 7.409 ( 2.469 0.805 0.849) 2.732 7.631 ( 0.486 8.354 4.528) 9.515 7.732 ( 5.552 -2.095 -4.283) 7.318 7.963 ( 3.316 -0.656 5.271) 6.262 8.000 ( -1.385 1.471 -4.630) 5.052 8.229 ( 6.582 -3.292 -1.512) 7.513 10.909 ( 4.417 -2.481 -1.867) 5.399 10.936 ( -0.751 -6.906 2.048) 7.243 11.161 ( -0.914 1.597 0.664) 1.957 11.339 ( -3.734 -3.668 -0.413) 5.250 11.381 ( -2.263 8.270 -1.832) 8.767 11.517 ( -2.730 2.778 -2.284) 4.515 11.738 ( -3.664 -0.182 -4.100) 5.502 11.748 ( -2.948 -0.466 -3.464) 4.573 12.687 ( 0.875 -0.225 2.817) 2.958 12.747 ( 8.515 -1.649 3.614) 9.396 13.181 ( -0.709 1.320 3.871) 4.151 13.349 ( -4.000 -2.332 4.107) 6.189 20.273 ( -1.201 -2.019 -1.468) 2.771 20.313 ( -1.219 -4.052 -3.601) 5.556 20.685 ( 0.440 4.034 -0.121) 4.060 20.742 ( -1.908 6.004 -0.291) 6.306 21.090 ( 1.011 -2.505 -1.211) 2.960 21.322 ( 0.596 -5.488 6.898) 8.835 21.954 ( -1.668 6.563 -13.597) 15.190 22.203 ( -1.161 -0.821 -9.937) 10.038 22.650 ( 1.156 0.202 -0.245) 1.199 22.719 ( 2.288 -0.597 1.368) 2.732 22.981 ( -6.184 0.695 0.160) 6.224 23.048 ( -14.689 -1.055 -7.186) 16.386 ======================= Grid point 125 (69/108) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( -0.541 15.454 13.122) 20.281 1.528 ( -4.563 17.354 16.513) 24.386 1.660 ( -3.920 -13.660 7.908) 16.263 1.880 ( -1.643 -16.471 9.897) 19.286 2.191 ( -5.148 24.309 12.101) 27.638 2.505 ( -2.593 1.655 -2.961) 4.270 2.684 ( 1.976 8.231 -10.344) 13.366 2.763 ( 2.710 -0.096 -3.655) 4.551 2.791 ( 4.866 -4.428 -8.874) 11.047 2.933 ( 1.516 -9.977 6.898) 12.224 3.150 ( -0.437 7.446 1.126) 7.544 3.424 ( -1.533 -13.308 1.429) 13.472 3.634 ( 0.605 -0.695 -0.166) 0.936 3.652 ( 0.716 -4.200 -4.560) 6.241 4.016 ( 3.131 5.155 -12.054) 13.479 4.111 ( 3.521 -4.769 -9.760) 11.419 4.456 ( 4.542 5.003 2.457) 7.190 4.499 ( -1.263 0.868 1.815) 2.375 4.708 ( -4.809 3.834 -0.189) 6.153 4.729 ( 3.064 3.204 0.069) 4.434 4.840 ( 1.844 2.566 6.731) 7.436 4.886 ( -1.702 -2.712 6.167) 6.948 5.103 ( 3.875 0.942 2.122) 4.517 5.146 ( -2.178 -7.274 -0.449) 7.606 5.198 ( -1.334 -2.126 2.373) 3.454 5.290 ( 1.991 -5.352 -0.138) 5.712 5.505 ( 1.462 0.615 5.211) 5.447 5.530 ( -4.961 0.699 5.722) 7.606 5.542 ( -3.310 1.777 3.245) 4.964 5.626 ( -8.142 -3.744 3.287) 9.546 5.907 ( -0.842 5.367 -0.722) 5.481 5.982 ( -1.262 -2.214 0.865) 2.691 6.154 ( 0.888 3.697 -2.303) 4.445 6.195 ( 0.292 -0.256 2.913) 2.939 6.324 ( 3.508 1.025 -3.213) 4.867 6.374 ( 6.646 -0.504 -3.928) 7.736 6.451 ( -2.484 1.330 -1.924) 3.412 6.541 ( -0.758 -4.839 -0.832) 4.968 6.739 ( 2.112 4.603 5.848) 7.736 6.814 ( 0.704 -2.494 3.017) 3.977 7.167 ( -2.160 3.603 -3.271) 5.324 7.244 ( -1.779 -3.568 -2.322) 4.613 7.579 ( 2.994 7.848 -5.838) 10.229 7.724 ( 2.853 -6.133 -6.780) 9.577 7.778 ( -2.442 7.584 6.636) 10.369 7.912 ( -2.061 -5.587 7.158) 9.312 8.105 ( 1.049 5.421 -1.172) 5.644 8.204 ( -0.527 -4.131 0.072) 4.165 10.878 ( 0.898 1.530 0.335) 1.805 10.940 ( 3.538 -4.163 -1.675) 5.714 11.176 ( -0.736 1.343 0.279) 1.557 11.208 ( -2.458 -1.841 0.223) 3.078 11.457 ( -1.823 4.124 -2.461) 5.137 11.503 ( -1.522 -0.304 -3.065) 3.435 11.675 ( -1.590 0.403 -3.061) 3.472 11.690 ( -1.187 -0.780 -3.146) 3.452 12.741 ( 2.475 2.554 3.204) 4.787 12.819 ( 4.337 -5.090 1.946) 6.965 13.216 ( 1.533 0.128 3.334) 3.671 13.246 ( 0.071 -2.419 2.423) 3.425 20.237 ( 1.298 -0.111 -2.889) 3.169 20.258 ( 1.893 -1.971 -3.874) 4.741 20.757 ( -2.806 4.180 0.156) 5.037 20.793 ( 0.885 0.744 -1.561) 1.943 21.137 ( 3.533 -0.011 4.464) 5.693 21.184 ( -0.299 -4.544 7.392) 8.682 21.934 ( -13.486 10.357 -15.250) 22.841 22.081 ( -7.928 -4.863 -13.315) 16.241 22.682 ( -4.524 2.929 2.152) 5.803 22.711 ( -0.917 0.076 1.775) 2.000 22.893 ( 0.630 0.899 -1.682) 2.009 22.928 ( 3.852 -2.391 -2.502) 5.178 ======================= Grid point 126 (70/108) ======================= q-point: ( 0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 6.388 11.709 14.258) 19.524 1.458 ( -1.991 16.081 16.618) 23.210 1.687 ( 6.027 -9.845 7.950) 14.016 1.874 ( 1.025 -18.171 9.024) 20.314 2.196 ( 5.694 21.925 8.273) 24.116 2.503 ( 3.405 -2.171 -3.012) 5.038 2.713 ( 1.402 15.403 -7.544) 17.208 2.852 ( 5.966 1.367 0.265) 6.126 2.896 ( 5.422 -8.425 -5.559) 11.458 3.029 ( 6.561 -2.773 0.150) 7.125 3.156 ( 0.782 2.600 0.587) 2.778 3.382 ( -3.155 -14.596 0.886) 14.959 3.608 ( -3.678 0.282 -2.444) 4.425 3.627 ( -0.842 -2.474 1.717) 3.127 4.070 ( 2.157 4.736 -11.171) 12.324 4.166 ( 1.477 -5.194 -10.104) 11.456 4.394 ( -6.541 4.654 0.077) 8.028 4.428 ( -6.085 3.261 -1.593) 7.086 4.622 ( -2.604 1.280 5.347) 6.083 4.686 ( -5.483 -4.093 8.497) 10.910 4.837 ( -3.864 2.592 1.693) 4.951 4.949 ( 2.336 -3.711 -0.963) 4.489 5.075 ( -0.622 2.338 3.732) 4.448 5.154 ( -6.002 -2.171 3.431) 7.246 5.275 ( 3.298 4.827 1.893) 6.145 5.300 ( -0.129 3.271 3.246) 4.610 5.392 ( -0.184 -1.534 2.528) 2.962 5.425 ( -2.885 -5.214 7.100) 9.270 5.547 ( 0.618 -0.361 -0.119) 0.726 5.620 ( 4.072 -6.282 -0.933) 7.545 5.878 ( -1.843 4.236 -0.678) 4.669 5.949 ( -2.170 -2.871 1.511) 3.903 6.124 ( -3.557 3.987 1.224) 5.481 6.197 ( -0.836 -2.923 2.878) 4.187 6.315 ( -0.992 2.674 -6.228) 6.850 6.388 ( -1.981 -3.662 -3.161) 5.228 6.509 ( 3.414 1.050 -1.707) 3.959 6.548 ( 0.973 -2.002 -0.215) 2.236 6.789 ( 2.520 5.231 3.706) 6.888 6.867 ( 3.265 -2.263 1.208) 4.152 7.117 ( -2.327 3.942 -2.066) 5.022 7.205 ( -1.944 -4.205 -1.347) 4.825 7.601 ( -1.570 7.496 -3.688) 8.500 7.722 ( -3.365 2.934 -0.329) 4.477 7.744 ( -0.744 -2.201 -1.275) 2.650 7.845 ( -3.616 -5.259 5.301) 8.296 8.086 ( -2.270 3.991 -0.498) 4.619 8.139 ( -4.358 -0.916 1.127) 4.593 10.880 ( -0.476 3.533 -0.398) 3.587 10.972 ( -0.619 -5.459 -1.114) 5.606 11.174 ( 0.468 0.956 0.646) 1.245 11.201 ( 1.803 -1.479 -0.166) 2.338 11.446 ( 0.712 3.636 -0.926) 3.819 11.494 ( 0.765 -0.886 -2.786) 3.022 11.675 ( 1.595 0.966 -2.293) 2.955 11.695 ( 1.819 -0.785 -2.602) 3.270 12.775 ( 0.741 3.226 1.584) 3.669 12.857 ( -0.139 -4.347 -0.313) 4.361 13.248 ( 2.016 1.007 2.592) 3.435 13.316 ( 4.186 -6.697 4.158) 8.926 20.302 ( 5.075 1.023 -4.085) 6.595 20.330 ( 5.172 -1.713 -4.616) 7.141 20.701 ( -2.553 5.922 0.309) 6.456 20.808 ( -0.404 -4.229 0.709) 4.307 21.162 ( 1.400 5.066 4.498) 6.918 21.255 ( 5.810 -4.169 6.885) 9.927 21.615 ( -14.536 16.238 -7.536) 23.060 21.868 ( -11.449 -8.856 -11.611) 18.556 22.617 ( -1.413 2.314 0.987) 2.886 22.663 ( -2.137 -1.875 1.421) 3.178 22.993 ( 6.846 2.959 -1.783) 7.668 23.056 ( 7.014 -3.155 -2.483) 8.081 ======================= Grid point 127 (71/108) ======================= q-point: ( 0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( 5.455 13.397 13.240) 19.609 1.611 ( 10.697 3.269 14.384) 18.221 1.876 ( 11.293 -6.923 9.050) 16.042 1.943 ( 6.116 -13.778 7.735) 16.943 2.401 ( 12.639 17.283 3.069) 21.631 2.660 ( 10.751 -4.464 -3.910) 12.280 2.746 ( 2.311 18.858 -5.547) 19.792 2.974 ( 4.190 -5.250 0.878) 6.775 3.015 ( 6.595 0.592 -1.247) 6.738 3.136 ( 2.078 7.701 -1.258) 8.075 3.207 ( 5.764 -8.562 0.769) 10.349 3.304 ( -2.649 -9.685 -2.742) 10.408 3.561 ( -0.246 0.830 0.631) 1.071 3.633 ( 1.787 -6.933 3.596) 8.012 4.079 ( -1.933 3.076 -8.516) 9.259 4.142 ( -3.732 -2.638 -6.205) 7.706 4.304 ( -2.968 4.338 -3.652) 6.400 4.331 ( -0.743 2.971 -3.662) 4.774 4.540 ( -5.256 -2.640 6.725) 8.934 4.555 ( -7.177 -1.452 9.909) 12.321 4.669 ( -12.385 2.645 4.889) 13.576 4.822 ( -14.297 -9.400 3.928) 17.555 4.993 ( -3.929 4.231 1.058) 5.870 5.055 ( -2.498 -1.326 0.472) 2.868 5.273 ( -0.148 5.271 3.854) 6.531 5.345 ( -4.532 0.016 2.012) 4.959 5.405 ( 3.417 2.768 -3.383) 5.548 5.468 ( 5.087 -1.586 1.275) 5.479 5.637 ( 7.386 0.433 -2.106) 7.692 5.669 ( 0.057 0.180 0.439) 0.478 5.854 ( -0.301 -0.765 0.073) 0.825 5.883 ( -3.869 -4.364 2.106) 6.201 6.087 ( -0.768 1.885 2.243) 3.029 6.159 ( 0.144 -4.520 -1.568) 4.786 6.314 ( 0.775 2.247 0.256) 2.391 6.379 ( 0.026 -3.582 -0.805) 3.671 6.510 ( -2.268 1.809 -2.328) 3.720 6.543 ( -1.599 -1.386 -2.055) 2.950 6.829 ( 0.386 5.381 2.106) 5.792 6.889 ( -1.925 0.127 -1.892) 2.702 7.087 ( -0.512 1.955 0.529) 2.089 7.165 ( -1.731 -4.764 0.824) 5.135 7.527 ( -4.926 5.590 -3.357) 8.172 7.601 ( -6.570 -1.469 -1.866) 6.986 7.737 ( -0.441 0.382 1.739) 1.834 7.776 ( -3.453 -2.845 3.113) 5.451 8.047 ( -0.984 3.277 0.081) 3.422 8.085 ( -0.246 -0.435 -1.193) 1.294 10.871 ( -0.320 2.729 0.002) 2.748 10.938 ( -2.002 -3.838 0.472) 4.355 11.194 ( 1.098 1.536 0.757) 2.035 11.245 ( 2.114 -3.296 -1.469) 4.182 11.479 ( 2.239 3.589 -0.497) 4.259 11.529 ( 2.517 -1.226 -2.784) 3.948 11.732 ( 3.648 1.428 -1.701) 4.271 11.755 ( 3.758 -0.757 -2.201) 4.420 12.780 ( -0.060 2.465 0.208) 2.475 12.839 ( -1.305 -2.918 -0.731) 3.279 13.294 ( 2.038 1.698 2.898) 3.929 13.368 ( 0.805 -6.216 5.124) 8.096 20.424 ( 5.699 2.209 -3.062) 6.836 20.459 ( 7.142 -1.274 -4.942) 8.779 20.658 ( -1.138 5.901 -1.101) 6.110 20.775 ( -1.813 -5.575 3.093) 6.629 21.241 ( 4.281 10.405 -2.719) 11.575 21.346 ( -3.152 6.206 4.945) 8.538 21.428 ( 2.717 0.615 4.285) 5.111 21.642 ( -9.585 -10.802 -8.982) 17.007 22.610 ( 0.510 1.266 0.309) 1.400 22.642 ( -0.011 -1.545 0.568) 1.646 23.134 ( 6.552 2.901 -1.258) 7.275 23.193 ( 6.113 -2.803 -2.419) 7.147 ======================= Grid point 128 (72/108) ======================= q-point: ( 0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 12.247 8.378 7.898) 16.810 1.847 ( 11.638 -5.623 10.932) 16.928 2.119 ( 11.633 -3.581 8.548) 14.873 2.133 ( 11.065 -4.391 6.954) 13.787 2.637 ( 8.133 10.566 2.206) 13.515 2.736 ( -0.950 6.494 -3.471) 7.425 2.922 ( 9.347 5.326 -3.559) 11.331 3.040 ( 4.891 -5.727 -0.920) 7.587 3.133 ( 5.914 4.371 -1.624) 7.531 3.216 ( 6.309 7.459 1.228) 9.846 3.292 ( 2.865 -8.938 -4.836) 10.559 3.363 ( 6.626 -4.737 1.169) 8.228 3.596 ( 3.104 0.015 1.077) 3.285 3.692 ( 3.332 -8.875 3.147) 9.988 4.001 ( -4.310 3.317 -3.678) 6.566 4.056 ( -4.128 -1.725 -2.302) 5.032 4.239 ( -4.067 7.988 -1.234) 9.049 4.273 ( -9.474 6.975 3.535) 12.285 4.357 ( -10.903 -4.676 3.884) 12.483 4.423 ( -7.692 -3.004 6.046) 10.235 4.504 ( -6.150 -5.142 0.971) 8.075 4.525 ( -4.707 -5.336 4.343) 8.336 4.924 ( -3.596 3.290 -3.264) 5.867 4.987 ( -5.194 -2.831 -2.386) 6.378 5.210 ( -3.774 4.536 -0.258) 5.907 5.265 ( -2.802 -0.130 -1.296) 3.090 5.473 ( 2.373 2.692 -1.058) 3.742 5.526 ( 0.137 -2.562 1.329) 2.889 5.674 ( 1.246 2.751 1.728) 3.480 5.763 ( 2.748 -0.628 -1.748) 3.317 5.803 ( -1.405 1.459 0.804) 2.179 5.896 ( 3.585 -5.968 3.226) 7.672 6.075 ( 1.049 6.958 -0.073) 7.037 6.212 ( 1.214 -4.224 2.106) 4.874 6.334 ( 0.812 0.284 2.282) 2.438 6.349 ( -2.699 -1.873 -0.157) 3.288 6.461 ( -0.639 1.558 -3.288) 3.694 6.513 ( -0.815 -2.491 0.052) 2.622 6.760 ( -6.520 6.192 0.770) 9.025 6.834 ( -2.919 -0.615 -3.203) 4.377 7.067 ( -1.572 1.281 1.293) 2.406 7.145 ( -0.602 -5.387 0.692) 5.464 7.414 ( -5.180 4.023 -4.920) 8.199 7.485 ( -5.197 -3.341 -3.711) 7.207 7.714 ( -1.041 0.400 3.492) 3.666 7.739 ( -0.278 -1.776 4.196) 4.565 8.051 ( 1.064 4.231 -0.071) 4.364 8.111 ( 2.171 -1.735 -3.083) 4.151 10.866 ( -0.235 1.083 0.957) 1.464 10.901 ( -1.625 -2.253 1.463) 3.140 11.214 ( 0.839 1.973 0.445) 2.189 11.282 ( 1.479 -4.472 -2.190) 5.194 11.529 ( 2.515 4.222 -0.707) 4.964 11.587 ( 2.975 -1.389 -2.956) 4.418 11.810 ( 3.703 1.658 -1.577) 4.353 11.835 ( 3.777 -0.751 -2.251) 4.460 12.776 ( -0.319 1.402 -0.149) 1.446 12.810 ( -1.397 -1.644 -0.232) 2.170 13.328 ( 1.256 0.877 2.886) 3.267 13.368 ( -0.556 -3.232 4.839) 5.846 20.489 ( 0.498 4.590 2.768) 5.383 20.575 ( 2.425 -2.985 -2.191) 4.426 20.698 ( 5.632 3.343 -4.907) 8.184 20.775 ( 2.590 -4.362 -0.853) 5.144 21.180 ( -5.609 12.219 -4.789) 14.273 21.325 ( -3.641 0.470 2.815) 4.626 21.532 ( 2.452 -4.440 -4.534) 6.803 21.558 ( 5.214 -4.922 7.610) 10.456 22.636 ( 1.952 0.943 0.137) 2.172 22.660 ( 1.685 -1.156 0.087) 2.046 23.253 ( 4.955 2.499 -0.920) 5.625 23.303 ( 4.596 -2.309 -2.213) 5.599 ======================= Grid point 129 (73/108) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( 12.307 4.809 3.614) 13.698 2.080 ( 10.348 -7.543 5.818) 14.065 2.318 ( 5.782 0.228 6.924) 9.023 2.349 ( 9.150 -1.350 6.894) 11.535 2.692 ( -2.253 3.292 -1.928) 4.431 2.732 ( 2.891 -0.399 3.519) 4.572 3.028 ( 1.878 10.379 -1.718) 10.686 3.163 ( 4.831 -2.154 -2.843) 6.005 3.267 ( 2.972 6.154 -2.215) 7.184 3.362 ( 8.378 2.214 -0.171) 8.667 3.380 ( 6.057 -4.617 -3.068) 8.211 3.456 ( 0.357 -3.683 2.455) 4.441 3.672 ( 4.465 0.046 0.715) 4.522 3.749 ( 1.505 -5.609 2.052) 6.159 3.922 ( -2.813 2.033 0.676) 3.535 3.968 ( -4.938 -1.065 2.578) 5.672 4.020 ( -10.041 5.806 4.672) 12.504 4.144 ( -4.688 -5.562 2.515) 7.697 4.193 ( -6.596 0.569 4.230) 7.857 4.235 ( -4.818 -3.143 4.950) 7.589 4.441 ( -1.019 3.181 -1.674) 3.737 4.536 ( 0.486 -5.048 -2.208) 5.531 4.848 ( -3.812 -1.532 -5.170) 6.604 4.858 ( -4.966 -2.000 -3.415) 6.350 5.159 ( -1.665 4.191 -1.495) 4.750 5.211 ( -2.728 -0.827 -2.387) 3.718 5.491 ( 0.009 3.263 0.243) 3.272 5.539 ( 1.326 -1.316 -0.420) 1.915 5.698 ( 0.999 2.070 1.123) 2.558 5.749 ( 0.281 -2.352 -0.567) 2.436 5.863 ( 3.378 3.997 2.637) 5.860 5.973 ( 3.093 -4.572 3.244) 6.403 6.078 ( -2.036 5.535 0.608) 5.929 6.181 ( -3.036 -3.354 0.712) 4.579 6.298 ( 1.047 5.766 1.573) 6.068 6.368 ( 0.999 1.862 2.198) 3.049 6.486 ( -2.268 -0.852 1.668) 2.941 6.514 ( 3.913 -4.763 0.649) 6.198 6.629 ( -4.924 7.177 -0.819) 8.742 6.764 ( -3.223 -5.471 -4.123) 7.571 7.042 ( -0.630 2.000 0.534) 2.164 7.118 ( -2.123 -4.976 -0.452) 5.429 7.328 ( -2.996 1.721 -4.823) 5.933 7.380 ( -4.636 -3.515 -4.281) 7.223 7.716 ( 0.833 1.008 3.508) 3.744 7.743 ( 0.307 -1.308 3.278) 3.543 8.077 ( 1.225 4.794 0.192) 4.951 8.155 ( 1.831 -2.894 -3.363) 4.799 10.858 ( -0.603 -0.319 1.879) 1.999 10.872 ( -1.235 -1.500 1.857) 2.688 11.230 ( 0.702 2.439 -0.117) 2.541 11.307 ( 1.033 -5.025 -2.326) 5.633 11.576 ( 1.944 5.002 -1.089) 5.476 11.643 ( 2.363 -1.495 -3.199) 4.249 11.874 ( 2.456 1.771 -1.726) 3.486 11.901 ( 2.498 -0.760 -2.525) 3.632 12.766 ( -0.742 0.750 0.192) 1.072 12.784 ( -1.136 -0.811 0.225) 1.414 13.348 ( 0.545 -0.205 2.995) 3.051 13.357 ( -0.389 -1.042 3.707) 3.870 20.476 ( -1.283 3.620 3.469) 5.176 20.566 ( -2.331 -4.637 3.119) 6.055 20.818 ( 4.851 3.755 -5.150) 8.010 20.881 ( 6.584 -2.402 -6.569) 9.606 21.098 ( -1.781 7.368 -2.744) 8.061 21.199 ( -6.551 -1.930 -1.524) 6.997 21.626 ( 5.131 -1.245 1.812) 5.582 21.647 ( 2.788 -3.066 6.128) 7.398 22.683 ( 2.263 0.852 0.141) 2.422 22.703 ( 2.116 -0.892 -0.045) 2.297 23.333 ( 2.819 2.335 -0.921) 3.775 23.379 ( 2.836 -2.076 -2.107) 4.098 ======================= Grid point 130 (74/108) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.135 ( 4.472 4.985 2.727) 7.230 2.249 ( 5.449 -5.898 2.439) 8.393 2.354 ( -1.580 0.828 4.429) 4.775 2.442 ( -0.903 -5.955 5.697) 8.290 2.675 ( 0.644 7.493 0.481) 7.536 2.803 ( 3.404 -3.987 3.847) 6.502 3.024 ( -1.836 11.110 -2.236) 11.481 3.190 ( -2.188 -4.577 -3.401) 6.107 3.223 ( -5.997 4.896 2.496) 8.134 3.324 ( -9.460 -2.231 3.047) 10.186 3.504 ( 4.200 -0.585 -1.188) 4.404 3.533 ( 4.354 -1.946 -3.612) 5.983 3.716 ( -0.800 2.234 2.523) 3.463 3.758 ( -0.704 -1.790 0.713) 2.051 3.859 ( -1.242 3.953 2.573) 4.878 3.938 ( 2.294 -5.034 1.019) 5.625 3.969 ( 3.182 2.924 4.941) 6.564 4.052 ( -2.377 -2.287 5.874) 6.736 4.171 ( -0.439 -0.134 3.547) 3.576 4.186 ( 2.642 -3.544 4.233) 6.120 4.420 ( -0.705 2.556 -3.350) 4.272 4.533 ( -0.225 -6.384 -3.536) 7.301 4.785 ( 0.961 1.310 -3.850) 4.179 4.852 ( 2.499 -4.760 -5.441) 7.649 5.119 ( -2.492 2.806 -1.462) 4.028 5.156 ( -2.348 -0.916 -1.847) 3.124 5.498 ( 0.890 4.611 -0.999) 4.801 5.560 ( 0.496 -0.735 -1.558) 1.792 5.700 ( -0.257 4.283 2.715) 5.078 5.784 ( 0.698 -4.483 1.569) 4.801 5.898 ( 0.366 5.853 1.936) 6.176 6.022 ( 3.160 0.842 -1.440) 3.574 6.060 ( 0.684 -0.676 4.542) 4.642 6.153 ( 1.161 -3.764 0.868) 4.034 6.347 ( 1.068 5.923 -0.527) 6.041 6.358 ( -2.206 2.724 4.483) 5.691 6.408 ( -3.522 4.084 0.396) 5.407 6.564 ( 0.663 2.503 1.744) 3.122 6.604 ( 1.640 -3.804 0.594) 4.185 6.721 ( -0.743 -6.726 -4.360) 8.050 7.047 ( 1.282 -0.264 -0.019) 1.309 7.070 ( -1.920 -2.695 -0.204) 3.316 7.289 ( -0.718 -0.607 -4.471) 4.569 7.307 ( -2.075 -2.431 -4.291) 5.350 7.737 ( 0.944 0.807 2.569) 2.853 7.748 ( 0.247 -0.035 2.718) 2.730 8.091 ( -0.065 4.835 0.288) 4.844 8.176 ( 0.133 -3.522 -3.213) 4.770 10.840 ( -1.149 -0.699 2.023) 2.429 10.852 ( -0.822 -1.945 2.184) 3.038 11.242 ( 0.484 2.833 -0.496) 2.917 11.324 ( 0.627 -5.133 -2.160) 5.604 11.606 ( 0.943 5.581 -1.505) 5.857 11.679 ( 1.118 -1.487 -3.428) 3.900 11.907 ( 0.700 1.738 -1.837) 2.624 11.933 ( 0.645 -0.754 -2.727) 2.901 12.745 ( -1.229 0.748 0.875) 1.684 12.761 ( -1.151 -0.699 0.307) 1.381 13.343 ( -0.526 0.631 3.324) 3.424 13.366 ( 0.642 -1.505 2.815) 3.256 20.445 ( -1.799 1.481 2.375) 3.327 20.501 ( -3.778 -3.685 3.765) 6.482 20.890 ( 2.355 6.376 -4.566) 8.189 20.968 ( 0.593 -1.552 -2.630) 3.110 21.084 ( -2.182 2.322 -2.994) 4.372 21.133 ( 3.290 -1.894 -5.176) 6.419 21.682 ( 1.126 0.819 4.912) 5.106 21.731 ( 5.167 -3.535 3.154) 7.010 22.716 ( 0.680 0.794 0.098) 1.050 22.733 ( 0.563 -0.723 -0.110) 0.923 23.367 ( 0.453 2.581 -1.088) 2.837 23.418 ( 0.929 -2.294 -2.170) 3.291 ======================= Grid point 131 (75/108) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( -8.201 10.062 8.077) 15.288 2.272 ( -4.403 0.159 6.295) 7.684 2.315 ( -1.366 -4.602 -3.131) 5.731 2.355 ( -6.694 -10.996 7.528) 14.913 2.670 ( -1.765 10.933 0.288) 11.078 2.837 ( -1.082 -1.369 0.718) 1.887 2.951 ( -7.705 6.738 -1.540) 10.351 3.016 ( -7.995 2.629 1.658) 8.577 3.120 ( -8.425 -2.518 3.005) 9.293 3.169 ( -2.457 -6.201 -3.371) 7.474 3.506 ( -4.510 -0.866 -0.263) 4.600 3.524 ( -2.488 -0.458 -0.258) 2.543 3.724 ( -0.343 1.246 0.785) 1.511 3.770 ( 3.769 -2.966 -0.313) 4.807 3.869 ( -1.654 2.222 2.308) 3.605 3.889 ( -3.882 0.173 2.734) 4.752 4.033 ( 4.806 4.481 2.590) 7.063 4.163 ( 5.654 -3.351 1.629) 6.772 4.187 ( 4.037 1.855 1.890) 4.828 4.286 ( 5.285 -5.599 4.804) 9.076 4.456 ( 5.891 2.199 -0.144) 6.290 4.569 ( 4.507 -7.185 -2.618) 8.877 4.885 ( 7.824 1.153 -3.422) 8.617 4.938 ( 5.608 -3.884 -4.812) 8.348 5.059 ( -2.823 3.934 -0.071) 4.843 5.118 ( -1.341 -2.237 -0.937) 2.772 5.539 ( 3.006 4.493 -1.036) 5.504 5.556 ( -0.031 3.511 1.096) 3.678 5.704 ( -0.276 0.605 0.867) 1.093 5.786 ( 1.509 -6.080 -0.753) 6.309 5.889 ( -1.352 9.491 1.786) 9.752 6.064 ( -0.967 -5.715 5.461) 7.963 6.125 ( 4.331 4.462 -2.269) 6.619 6.200 ( 3.211 -0.510 2.223) 3.938 6.278 ( -3.356 0.801 -0.840) 3.551 6.310 ( -3.816 -0.975 1.452) 4.198 6.397 ( 0.834 7.409 -3.894) 8.411 6.591 ( -1.795 -8.917 -0.427) 9.106 6.600 ( 0.935 6.994 3.748) 7.990 6.733 ( 1.933 -4.749 0.923) 5.210 7.059 ( 1.311 0.536 -0.024) 1.417 7.102 ( 3.850 -3.257 0.471) 5.065 7.290 ( 0.962 -0.562 -4.355) 4.495 7.308 ( 2.146 -2.420 -4.124) 5.241 7.744 ( 0.163 2.181 2.102) 3.033 7.771 ( 1.757 -0.629 2.676) 3.262 8.071 ( -1.854 4.683 0.054) 5.037 8.156 ( -1.988 -3.659 -3.139) 5.215 10.817 ( -1.021 -0.623 1.652) 2.040 10.836 ( -0.730 -2.755 2.289) 3.656 11.248 ( 0.097 3.139 -0.555) 3.190 11.331 ( 0.148 -5.040 -1.863) 5.375 11.613 ( -0.165 5.802 -1.989) 6.136 11.686 ( -0.378 -1.229 -3.625) 3.846 11.902 ( -1.083 1.461 -1.782) 2.546 11.926 ( -1.275 -0.726 -2.718) 3.089 12.715 ( -1.682 0.929 1.404) 2.380 12.734 ( -1.506 -0.842 0.540) 1.808 13.332 ( -0.646 1.802 3.093) 3.638 13.378 ( 0.394 -2.586 3.195) 4.129 20.402 ( -2.382 -0.431 0.860) 2.569 20.422 ( -3.844 -2.085 2.538) 5.057 20.913 ( -1.249 4.311 -0.771) 4.555 20.939 ( -0.566 4.098 1.287) 4.332 21.067 ( -0.204 1.918 -5.716) 6.032 21.198 ( 1.373 -7.924 -5.974) 10.018 21.726 ( 3.764 6.086 2.562) 7.600 21.851 ( 6.579 -5.983 1.799) 9.073 22.707 ( -1.408 0.738 -0.160) 1.597 22.722 ( -1.501 -0.580 -0.257) 1.629 23.351 ( -1.984 3.185 -1.288) 3.968 23.415 ( -1.166 -3.002 -2.501) 4.078 ======================= Grid point 132 (76/108) ======================= q-point: (-0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -12.316 14.111 12.133) 22.316 2.116 ( -10.292 6.254 8.576) 14.785 2.189 ( -9.095 -14.934 9.432) 19.867 2.241 ( -6.312 -7.030 4.150) 10.320 2.612 ( -3.022 9.781 -5.733) 11.733 2.717 ( -9.702 9.503 -3.717) 14.080 2.773 ( -5.564 -2.536 -1.878) 6.396 2.864 ( -8.303 -2.621 0.962) 8.760 3.047 ( -0.949 -0.955 1.646) 2.127 3.085 ( -5.673 -2.628 -0.911) 6.318 3.397 ( -5.879 0.857 0.450) 5.959 3.453 ( -3.031 -3.693 -1.021) 4.885 3.666 ( -5.597 2.747 2.334) 6.657 3.740 ( -4.616 -5.079 4.300) 8.100 3.902 ( 4.943 0.868 -1.355) 5.198 3.911 ( 5.057 0.231 -4.304) 6.644 4.112 ( -0.645 9.019 -3.007) 9.529 4.184 ( 2.634 1.370 -0.765) 3.066 4.324 ( 5.921 -3.194 4.057) 7.856 4.416 ( 7.296 -11.074 3.002) 13.597 4.655 ( 11.604 1.021 3.759) 12.240 4.705 ( 8.107 -3.742 2.327) 9.227 5.014 ( -0.663 4.927 1.900) 5.322 5.067 ( 8.179 0.603 -1.158) 8.282 5.081 ( 8.152 -0.576 -1.943) 8.400 5.109 ( 0.876 -3.864 -0.445) 3.987 5.570 ( -0.333 7.492 1.677) 7.684 5.597 ( 2.251 5.217 -1.768) 5.950 5.693 ( 0.123 -1.495 0.531) 1.592 5.815 ( -0.698 -7.600 -2.096) 7.915 5.889 ( 2.664 5.027 0.378) 5.702 6.011 ( -3.297 -5.123 3.543) 7.048 6.117 ( -3.188 7.542 1.281) 8.288 6.226 ( -3.363 0.017 -4.755) 5.824 6.247 ( -0.283 2.100 1.426) 2.554 6.310 ( 5.578 -3.472 0.181) 6.573 6.414 ( 0.510 0.750 -6.568) 6.630 6.492 ( -6.074 -5.675 -2.051) 8.562 6.653 ( 3.062 7.804 6.693) 10.727 6.790 ( 3.209 -4.556 6.467) 8.537 7.116 ( 3.617 2.737 -0.161) 4.539 7.190 ( 4.173 -4.136 0.495) 5.896 7.333 ( 3.326 1.397 -5.002) 6.167 7.383 ( 5.088 -3.280 -4.394) 7.480 7.758 ( 1.307 4.166 3.036) 5.318 7.822 ( 3.245 -2.338 3.100) 5.060 8.025 ( -2.097 3.989 -0.507) 4.535 8.099 ( -3.208 -3.232 -3.205) 5.569 10.802 ( -0.296 -0.639 1.100) 1.306 10.825 ( -0.330 -3.231 2.087) 3.860 11.245 ( -0.399 3.321 -0.404) 3.370 11.328 ( -0.527 -4.798 -1.462) 5.044 11.599 ( -1.188 5.539 -2.643) 6.251 11.662 ( -1.790 -0.706 -3.792) 4.252 11.864 ( -2.469 0.913 -1.762) 3.167 11.882 ( -2.815 -0.664 -2.654) 3.926 12.680 ( -1.675 1.118 2.047) 2.871 12.702 ( -1.560 -1.000 1.135) 2.173 13.313 ( -1.357 2.740 3.153) 4.392 13.378 ( -0.633 -3.472 3.703) 5.115 20.347 ( -3.358 -1.164 1.005) 3.694 20.348 ( -2.853 -1.468 -0.882) 3.328 20.863 ( -2.511 6.567 1.796) 7.256 20.942 ( -0.304 4.129 1.176) 4.304 21.056 ( -0.711 -0.945 -3.829) 4.007 21.182 ( -1.836 -8.309 -4.136) 9.462 21.844 ( 7.301 8.154 -1.667) 11.072 21.997 ( 7.301 -6.850 -2.084) 10.226 22.668 ( -1.964 0.692 -0.173) 2.090 22.681 ( -2.133 -0.492 -0.240) 2.202 23.284 ( -4.518 3.759 -1.523) 6.072 23.364 ( -3.955 -3.954 -3.297) 6.492 ======================= Grid point 133 (77/108) ======================= q-point: (-0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( -11.197 17.305 13.159) 24.454 1.879 ( -12.041 9.158 13.685) 20.399 2.000 ( -9.483 -14.870 9.577) 20.069 2.077 ( -8.440 -8.707 12.255) 17.241 2.542 ( -7.224 11.526 -4.562) 14.348 2.586 ( 0.248 3.706 -11.646) 12.224 2.675 ( -3.100 -0.519 -5.409) 6.256 2.709 ( -6.690 2.661 0.950) 7.263 2.909 ( -8.299 2.826 -0.155) 8.768 3.043 ( -2.230 -7.650 4.538) 9.170 3.268 ( -5.606 5.161 0.959) 7.680 3.441 ( 1.180 -9.441 -2.109) 9.745 3.556 ( -3.268 3.213 1.905) 4.963 3.661 ( -3.302 -7.385 4.986) 9.503 3.974 ( 0.399 3.437 -9.361) 9.980 4.012 ( 3.594 -0.393 -6.678) 7.594 4.132 ( 5.752 8.367 0.026) 10.153 4.248 ( 4.785 -2.667 -3.083) 6.286 4.478 ( 8.438 -1.683 3.832) 9.419 4.544 ( 5.347 -8.492 3.098) 10.503 4.869 ( 6.811 -0.504 6.673) 9.548 4.887 ( 9.642 -2.090 6.278) 11.694 4.995 ( -1.391 6.315 3.234) 7.230 5.116 ( -0.342 -4.869 1.520) 5.113 5.233 ( 7.623 2.896 0.498) 8.170 5.271 ( 9.090 -0.836 0.771) 9.161 5.459 ( -8.323 9.930 0.319) 12.961 5.662 ( 1.165 -0.143 -1.888) 2.224 5.691 ( -5.166 -6.125 0.382) 8.022 5.743 ( -0.364 -4.224 -3.903) 5.762 5.961 ( 3.716 2.232 0.591) 4.375 5.990 ( -0.911 0.678 3.169) 3.366 6.080 ( 1.612 5.569 0.669) 5.836 6.165 ( -1.714 1.477 -3.677) 4.318 6.249 ( -0.827 -0.610 -2.321) 2.539 6.326 ( -6.098 -5.375 -0.027) 8.129 6.413 ( 1.675 0.077 -3.514) 3.894 6.452 ( 3.791 -2.550 -2.747) 5.331 6.714 ( 2.013 7.809 7.333) 10.900 6.845 ( 1.337 -4.408 7.387) 8.705 7.180 ( 2.164 3.327 -1.050) 4.106 7.256 ( 2.028 -3.834 -0.055) 4.338 7.416 ( 4.491 4.306 -6.158) 8.754 7.507 ( 6.801 -4.255 -4.959) 9.432 7.795 ( 1.673 6.365 4.777) 8.132 7.889 ( 2.413 -2.529 4.869) 5.993 8.025 ( 2.870 0.050 -1.369) 3.180 8.043 ( -1.005 -1.668 -3.129) 3.686 10.811 ( 1.302 -0.978 0.340) 1.663 10.827 ( 0.574 -2.997 1.727) 3.506 11.231 ( -1.021 3.216 -0.164) 3.378 11.307 ( -1.490 -4.312 -0.908) 4.652 11.564 ( -2.127 4.855 -3.449) 6.324 11.613 ( -2.809 -0.110 -3.802) 4.728 11.804 ( -3.205 0.218 -2.193) 3.890 11.813 ( -3.715 -0.512 -2.942) 4.767 12.660 ( 0.143 0.923 3.192) 3.325 12.679 ( -0.386 -0.881 2.163) 2.367 13.275 ( -2.447 3.238 3.212) 5.176 13.348 ( -2.365 -3.859 3.884) 5.964 20.284 ( -2.726 -0.903 -0.716) 2.960 20.291 ( -2.542 -1.753 -2.198) 3.790 20.815 ( -2.184 6.868 0.524) 7.226 20.911 ( -2.953 1.702 1.971) 3.937 21.041 ( -0.104 0.457 -2.679) 2.720 21.165 ( 0.510 -7.633 0.726) 7.685 21.999 ( 7.049 7.270 -6.819) 12.208 22.128 ( 4.771 -5.341 -7.607) 10.448 22.645 ( -0.119 0.120 0.605) 0.628 22.651 ( -0.084 -0.325 0.472) 0.579 23.164 ( -7.142 3.374 -1.708) 8.081 23.240 ( -8.324 -4.053 -4.416) 10.257 ======================= Grid point 134 (78/108) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -6.943 17.960 12.668) 23.048 1.660 ( -8.982 12.949 15.709) 22.252 1.805 ( -9.180 -14.030 9.295) 19.170 1.941 ( -4.795 -12.759 12.234) 18.315 2.359 ( -9.922 19.779 7.766) 23.451 2.582 ( -4.397 4.401 -2.282) 6.626 2.636 ( 2.498 2.074 -13.952) 14.325 2.678 ( 3.736 0.167 -9.866) 10.551 2.782 ( -3.368 1.480 -1.763) 4.079 2.970 ( -4.071 -13.137 8.036) 15.929 3.182 ( -2.879 9.196 1.792) 9.802 3.449 ( -0.635 -9.818 0.136) 9.839 3.583 ( 4.515 -1.975 -3.993) 6.342 3.620 ( -0.250 -5.664 3.856) 6.857 3.971 ( 0.875 5.028 -11.205) 12.313 4.054 ( 1.956 -3.318 -8.858) 9.659 4.304 ( 9.000 6.268 1.063) 11.019 4.396 ( 8.688 -1.307 -1.251) 8.875 4.618 ( 4.762 0.808 2.552) 5.463 4.680 ( 7.523 -3.130 2.092) 8.412 4.906 ( -4.590 3.565 5.081) 7.720 4.946 ( -1.521 -0.360 9.235) 9.366 5.039 ( 1.463 2.610 1.507) 3.350 5.110 ( 3.156 -5.795 3.807) 7.618 5.282 ( -5.399 3.316 0.559) 6.361 5.398 ( 2.745 -1.256 0.075) 3.020 5.410 ( 1.042 -2.184 4.148) 4.803 5.475 ( -3.904 -7.128 0.957) 8.184 5.699 ( -1.617 3.513 -1.171) 4.041 5.746 ( -2.788 -1.262 -2.500) 3.952 5.935 ( -2.694 5.215 3.141) 6.657 6.005 ( -0.514 -1.338 3.761) 4.025 6.149 ( -0.891 4.554 -4.947) 6.783 6.162 ( 4.973 4.487 0.839) 6.751 6.222 ( 0.268 -3.759 -0.371) 3.787 6.270 ( 2.972 -3.855 -2.866) 5.648 6.464 ( 2.192 1.316 -2.495) 3.572 6.529 ( 2.544 -4.385 -2.236) 5.540 6.724 ( -0.575 6.837 6.772) 9.640 6.837 ( -1.900 -3.861 5.791) 7.215 7.197 ( -0.463 3.381 -2.625) 4.305 7.271 ( -0.514 -3.518 -1.609) 3.902 7.505 ( 4.138 6.904 -5.744) 9.889 7.639 ( 5.560 -5.755 -5.829) 9.900 7.807 ( -0.535 7.393 5.999) 9.536 7.923 ( 0.629 -3.827 5.937) 7.091 8.053 ( 2.896 3.811 -2.304) 5.312 8.143 ( 5.728 -4.840 -0.586) 7.522 10.849 ( 1.576 -1.412 1.250) 2.457 10.861 ( 3.383 -2.122 -0.713) 4.056 11.204 ( -1.558 2.631 0.037) 3.058 11.265 ( -2.567 -3.464 -0.283) 4.321 11.511 ( -2.852 4.310 -3.765) 6.394 11.551 ( -2.903 0.158 -3.456) 4.517 11.734 ( -3.686 -0.126 -3.408) 5.021 11.737 ( -3.079 -0.462 -2.982) 4.311 12.689 ( 2.014 0.602 3.518) 4.099 12.712 ( 4.331 -1.623 3.650) 5.892 13.223 ( -2.135 2.836 3.098) 4.712 13.288 ( -3.135 -3.412 3.242) 5.655 20.240 ( -1.295 -0.752 -1.984) 2.486 20.251 ( -1.013 -1.873 -3.112) 3.770 20.782 ( -0.811 4.898 -0.674) 5.010 20.835 ( -3.882 1.250 0.173) 4.082 21.068 ( 2.585 2.222 1.083) 3.577 21.184 ( 0.680 -7.581 5.112) 9.168 22.083 ( -0.324 5.658 -13.512) 14.652 22.169 ( -0.668 -2.858 -11.811) 12.171 22.665 ( 2.442 1.296 1.075) 2.966 22.696 ( 3.399 -1.553 1.617) 4.072 22.999 ( -8.213 1.127 -1.454) 8.417 23.024 ( -11.340 -1.283 -4.079) 12.120 ======================= Grid point 155 (79/108) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -1.016 0.000 16.513) 16.545 1.468 ( 6.683 0.000 20.323) 21.393 1.580 ( -5.222 0.000 -3.518) 6.296 1.929 ( -5.018 0.000 -18.711) 19.372 2.278 ( -7.254 0.000 13.223) 15.083 2.421 ( 3.578 0.000 -3.162) 4.775 2.528 ( -2.573 0.000 6.585) 7.070 2.639 ( 3.267 0.000 -1.199) 3.480 2.764 ( -0.557 0.000 -0.347) 0.656 2.872 ( 5.652 0.000 -9.710) 11.235 3.278 ( 0.829 0.000 6.112) 6.168 3.440 ( 0.671 0.000 -7.707) 7.736 3.592 ( -0.083 0.000 -1.035) 1.038 3.630 ( 0.666 0.000 -3.180) 3.249 4.121 ( -6.186 0.000 1.269) 6.315 4.185 ( 4.750 0.000 -4.752) 6.719 4.399 ( 11.366 0.000 3.352) 11.850 4.444 ( -3.809 0.000 -2.230) 4.414 4.458 ( -2.900 0.000 0.902) 3.037 4.523 ( -0.628 0.000 -4.184) 4.231 4.985 ( -1.646 0.000 5.073) 5.334 5.035 ( 3.738 0.000 -0.274) 3.748 5.240 ( -10.765 0.000 4.680) 11.738 5.291 ( 4.818 0.000 0.428) 4.837 5.362 ( 3.629 0.000 7.493) 8.326 5.442 ( -7.525 0.000 -1.098) 7.605 5.545 ( 5.562 0.000 4.994) 7.475 5.588 ( -10.794 0.000 3.000) 11.203 5.660 ( -3.353 0.000 -2.531) 4.201 5.673 ( 6.434 0.000 -2.564) 6.926 5.768 ( 5.366 0.000 1.149) 5.488 5.874 ( 1.317 0.000 -7.918) 8.027 6.213 ( 3.924 0.000 1.347) 4.148 6.222 ( -1.471 0.000 3.373) 3.680 6.257 ( -1.496 0.000 9.250) 9.370 6.412 ( 3.598 0.000 2.303) 4.272 6.503 ( -4.360 0.000 -6.896) 8.159 6.519 ( -2.018 0.000 -4.012) 4.491 6.700 ( 8.117 0.000 4.383) 9.225 6.786 ( -4.971 0.000 -3.173) 5.897 7.048 ( -2.363 0.000 -1.300) 2.697 7.071 ( 0.086 0.000 -4.522) 4.523 7.605 ( 1.514 0.000 6.407) 6.584 7.609 ( -2.130 0.000 4.897) 5.340 7.761 ( 3.024 0.000 -4.132) 5.120 7.805 ( -1.022 0.000 -6.980) 7.055 8.144 ( 1.428 0.000 4.756) 4.966 8.228 ( -2.909 0.000 -3.255) 4.366 10.948 ( -6.385 0.000 1.637) 6.591 10.995 ( 6.446 0.000 -2.865) 7.054 11.246 ( 4.002 0.000 2.653) 4.802 11.270 ( -2.929 0.000 0.708) 3.013 11.327 ( -0.788 0.000 2.468) 2.591 11.388 ( -1.060 0.000 -2.955) 3.140 11.619 ( -0.233 0.000 -1.995) 2.009 11.623 ( -1.143 0.000 -2.367) 2.629 12.777 ( 0.122 0.000 3.928) 3.930 12.864 ( 1.142 0.000 -4.174) 4.328 13.334 ( -5.968 0.000 1.871) 6.254 13.365 ( 10.770 0.000 -1.121) 10.828 20.268 ( 0.446 0.000 -0.541) 0.702 20.289 ( 0.334 0.000 -2.426) 2.449 20.659 ( -1.106 0.000 0.491) 1.210 20.670 ( 1.968 0.000 -0.481) 2.026 21.210 ( 10.308 0.000 2.245) 10.549 21.278 ( -21.082 0.000 -4.265) 21.509 21.638 ( 1.845 0.000 13.057) 13.187 21.914 ( -4.295 0.000 -12.914) 13.609 22.643 ( -5.319 0.000 2.359) 5.818 22.675 ( 3.636 0.000 -0.802) 3.723 22.896 ( -3.512 0.000 0.983) 3.647 22.934 ( 5.149 0.000 -2.501) 5.724 ======================= Grid point 156 (80/108) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 7.518 0.000 14.032) 15.919 1.466 ( -1.576 0.000 18.942) 19.008 1.702 ( 10.608 0.000 -0.261) 10.611 1.890 ( 2.435 0.000 -15.118) 15.313 2.219 ( 2.805 0.000 13.615) 13.901 2.496 ( 3.667 0.000 -3.179) 4.853 2.545 ( 3.834 0.000 4.768) 6.119 2.725 ( 4.744 0.000 0.525) 4.773 2.794 ( 3.033 0.000 -0.856) 3.152 3.037 ( 9.242 0.000 -8.770) 12.740 3.293 ( 0.522 0.000 5.167) 5.193 3.447 ( -0.017 0.000 -5.384) 5.384 3.620 ( 3.338 0.000 -6.228) 7.066 3.623 ( -1.620 0.000 -2.155) 2.696 3.957 ( -6.091 0.000 0.666) 6.127 4.125 ( -7.622 0.000 -3.168) 8.254 4.351 ( -4.004 0.000 -7.206) 8.243 4.366 ( -6.457 0.000 3.235) 7.222 4.652 ( 9.237 0.000 -3.182) 9.770 4.666 ( 12.730 0.000 0.048) 12.730 4.936 ( -3.875 0.000 0.828) 3.962 5.021 ( -8.968 0.000 8.951) 12.671 5.072 ( 0.108 0.000 0.180) 0.210 5.220 ( -10.461 0.000 3.823) 11.138 5.354 ( -8.184 0.000 1.682) 8.355 5.355 ( -5.564 0.000 10.729) 12.086 5.396 ( -1.579 0.000 -0.486) 1.652 5.580 ( -3.861 0.000 -2.813) 4.777 5.600 ( -1.772 0.000 4.077) 4.446 5.791 ( 6.699 0.000 1.146) 6.797 5.903 ( 2.882 0.000 -2.747) 3.982 5.933 ( 5.200 0.000 -6.680) 8.466 6.212 ( 5.352 0.000 -0.184) 5.356 6.214 ( -4.689 0.000 -2.967) 5.549 6.226 ( -1.816 0.000 8.657) 8.845 6.415 ( -2.096 0.000 -3.921) 4.447 6.506 ( -0.669 0.000 -1.898) 2.013 6.511 ( 3.911 0.000 3.676) 5.368 6.665 ( -5.839 0.000 -5.582) 8.078 6.816 ( 1.629 0.000 1.521) 2.228 7.030 ( 1.760 0.000 0.610) 1.863 7.088 ( 1.226 0.000 -1.902) 2.263 7.531 ( -5.219 0.000 4.402) 6.828 7.650 ( 2.766 0.000 5.384) 6.053 7.784 ( -1.286 0.000 -7.406) 7.517 7.785 ( -0.601 0.000 -4.088) 4.132 8.105 ( -7.092 0.000 -0.139) 7.094 8.114 ( -4.074 0.000 4.242) 5.882 10.850 ( -2.832 0.000 1.424) 3.170 11.113 ( 2.980 0.000 -2.467) 3.868 11.191 ( -2.145 0.000 -0.046) 2.145 11.324 ( 3.168 0.000 3.396) 4.644 11.359 ( 2.767 0.000 3.299) 4.306 11.382 ( 0.535 0.000 -3.069) 3.116 11.628 ( 1.661 0.000 -0.835) 1.859 11.643 ( 2.458 0.000 -0.970) 2.643 12.759 ( -1.590 0.000 1.678) 2.311 12.851 ( -1.484 0.000 -4.327) 4.574 13.267 ( -0.467 0.000 -0.184) 0.502 13.586 ( 8.122 0.000 -5.718) 9.933 20.297 ( 2.161 0.000 -1.459) 2.607 20.320 ( 2.890 0.000 -2.716) 3.966 20.621 ( -9.076 0.000 2.636) 9.451 20.647 ( 0.506 0.000 -0.729) 0.888 20.988 ( -0.938 0.000 5.333) 5.415 21.390 ( 4.583 0.000 8.602) 9.747 21.668 ( 2.341 0.000 14.386) 14.575 21.787 ( -7.407 0.000 -11.049) 13.302 22.593 ( -0.321 0.000 1.328) 1.366 22.707 ( -1.447 0.000 1.409) 2.019 22.925 ( 6.766 0.000 0.105) 6.767 23.057 ( 6.318 0.000 -3.268) 7.113 ======================= Grid point 157 (81/108) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 7.296 0.000 18.007) 19.429 1.603 ( 13.062 0.000 8.426) 15.544 1.908 ( 9.955 0.000 -5.624) 11.434 2.026 ( 10.560 0.000 -10.470) 14.870 2.373 ( 9.582 0.000 11.018) 14.602 2.562 ( 2.526 0.000 -1.936) 3.182 2.689 ( 9.812 0.000 8.404) 12.919 2.822 ( 4.403 0.000 0.167) 4.406 2.880 ( 5.526 0.000 0.257) 5.532 3.218 ( 8.372 0.000 -3.972) 9.266 3.304 ( 0.768 0.000 5.371) 5.426 3.443 ( -0.176 0.000 -3.997) 4.001 3.597 ( 0.744 0.000 -1.746) 1.897 3.718 ( 5.579 0.000 -9.051) 10.633 3.913 ( 0.590 0.000 -2.794) 2.856 3.961 ( -7.587 0.000 -3.491) 8.352 4.225 ( -6.124 0.000 4.660) 7.696 4.281 ( -2.351 0.000 -6.820) 7.214 4.763 ( -11.624 0.000 5.034) 12.667 4.790 ( 3.028 0.000 -2.311) 3.809 4.891 ( 4.547 0.000 3.943) 6.019 4.902 ( -1.999 0.000 -1.429) 2.457 4.956 ( -13.685 0.000 5.275) 14.667 5.055 ( -2.344 0.000 2.427) 3.374 5.151 ( -12.261 0.000 9.261) 15.366 5.204 ( -7.053 0.000 -1.856) 7.293 5.381 ( 1.212 0.000 -3.189) 3.412 5.530 ( 0.142 0.000 -3.424) 3.427 5.547 ( -1.910 0.000 4.564) 4.948 5.796 ( -3.173 0.000 -0.264) 3.184 5.995 ( 2.937 0.000 7.999) 8.521 6.052 ( -9.270 0.000 -3.921) 10.065 6.074 ( 7.352 0.000 -3.313) 8.063 6.173 ( -0.978 0.000 4.587) 4.690 6.384 ( -2.867 0.000 -2.157) 3.588 6.423 ( 9.991 0.000 -8.687) 13.240 6.452 ( -3.992 0.000 0.672) 4.048 6.510 ( -2.313 0.000 -0.387) 2.345 6.611 ( 0.161 0.000 -2.219) 2.225 6.768 ( -4.992 0.000 2.052) 5.398 7.109 ( 4.390 0.000 0.510) 4.419 7.111 ( 0.925 0.000 -0.967) 1.338 7.416 ( -5.635 0.000 3.849) 6.824 7.679 ( -2.271 0.000 -2.564) 3.425 7.742 ( -1.931 0.000 -5.738) 6.054 7.780 ( 2.422 0.000 3.971) 4.651 8.008 ( -5.449 0.000 2.203) 5.877 8.012 ( -1.517 0.000 0.012) 1.517 10.828 ( 0.299 0.000 0.503) 0.585 11.065 ( -3.909 0.000 0.680) 3.968 11.245 ( 3.994 0.000 -2.157) 4.540 11.366 ( 0.861 0.000 4.427) 4.510 11.411 ( 2.254 0.000 -3.695) 4.329 11.415 ( 2.189 0.000 2.247) 3.137 11.685 ( 3.584 0.000 0.402) 3.606 11.710 ( 3.758 0.000 -0.666) 3.817 12.734 ( -0.496 0.000 -0.581) 0.764 12.818 ( -1.530 0.000 -3.687) 3.992 13.292 ( 2.219 0.000 -0.263) 2.234 13.654 ( -0.952 0.000 -2.958) 3.107 20.348 ( 2.718 0.000 -1.873) 3.301 20.404 ( 4.563 0.000 -2.394) 5.153 20.475 ( -2.050 0.000 5.261) 5.646 20.683 ( 2.852 0.000 -1.979) 3.472 21.123 ( 10.305 0.000 4.185) 11.122 21.365 ( -5.758 0.000 12.116) 13.415 21.618 ( -8.464 0.000 -10.109) 13.185 21.771 ( 6.125 0.000 12.136) 13.594 22.605 ( 1.221 0.000 0.566) 1.346 22.668 ( -1.595 0.000 0.427) 1.651 23.094 ( 8.212 0.000 2.556) 8.601 23.180 ( 5.571 0.000 -3.371) 6.512 ======================= Grid point 158 (82/108) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 13.953 0.000 11.655) 18.180 1.893 ( 14.276 0.000 5.032) 15.137 2.124 ( 10.948 0.000 -6.265) 12.614 2.287 ( 13.872 0.000 -6.933) 15.508 2.547 ( 6.637 0.000 5.964) 8.923 2.588 ( -0.049 0.000 0.269) 0.273 2.882 ( 6.512 0.000 12.047) 13.694 2.904 ( 3.915 0.000 -2.221) 4.501 3.050 ( 11.269 0.000 0.420) 11.277 3.348 ( 3.607 0.000 6.103) 7.089 3.366 ( 4.087 0.000 0.344) 4.101 3.444 ( 2.016 0.000 -5.824) 6.163 3.670 ( 5.567 0.000 -2.215) 5.991 3.810 ( -0.679 0.000 -3.185) 3.257 3.823 ( -2.200 0.000 -3.473) 4.111 3.927 ( 0.366 0.000 -5.921) 5.932 4.129 ( -4.228 0.000 4.806) 6.401 4.254 ( -0.481 0.000 -6.194) 6.213 4.502 ( -13.355 0.000 5.594) 14.479 4.684 ( -12.715 0.000 4.846) 13.608 4.703 ( -10.414 0.000 2.134) 10.630 4.787 ( -1.865 0.000 -0.677) 1.984 4.926 ( -4.809 0.000 7.807) 9.170 4.987 ( -3.381 0.000 -0.709) 3.454 5.042 ( 0.899 0.000 -0.502) 1.030 5.055 ( -6.956 0.000 -1.145) 7.049 5.447 ( 4.400 0.000 -6.908) 8.190 5.544 ( 0.917 0.000 2.563) 2.722 5.607 ( 6.338 0.000 -4.469) 7.755 5.725 ( -3.235 0.000 -0.140) 3.238 5.855 ( -8.812 0.000 -1.716) 8.978 5.954 ( -4.959 0.000 12.009) 12.993 6.209 ( 4.619 0.000 -2.841) 5.423 6.221 ( 3.699 0.000 1.594) 4.028 6.289 ( -4.371 0.000 -0.352) 4.385 6.314 ( -7.359 0.000 0.471) 7.374 6.501 ( 0.787 0.000 -0.135) 0.798 6.597 ( 5.131 0.000 -6.620) 8.376 6.600 ( -1.479 0.000 -2.376) 2.799 6.649 ( -5.750 0.000 2.794) 6.393 7.129 ( 1.037 0.000 -1.263) 1.634 7.178 ( 2.254 0.000 -0.122) 2.257 7.314 ( -4.060 0.000 3.572) 5.408 7.581 ( -5.959 0.000 -4.008) 7.182 7.732 ( 0.845 0.000 -4.329) 4.411 7.835 ( 0.082 0.000 4.186) 4.187 7.938 ( 0.344 0.000 2.553) 2.576 8.021 ( 1.907 0.000 -1.757) 2.593 10.850 ( 1.641 0.000 -0.220) 1.655 10.995 ( -2.867 0.000 1.327) 3.159 11.321 ( 3.413 0.000 -2.801) 4.415 11.371 ( -0.379 0.000 4.715) 4.730 11.445 ( 0.822 0.000 1.734) 1.919 11.458 ( 2.189 0.000 -3.616) 4.226 11.761 ( 3.456 0.000 0.720) 3.530 11.786 ( 3.431 0.000 -1.072) 3.594 12.737 ( 0.561 0.000 -1.181) 1.308 12.788 ( -1.260 0.000 -2.430) 2.737 13.341 ( 2.452 0.000 -0.133) 2.455 13.588 ( -4.430 0.000 1.051) 4.553 20.406 ( 2.856 0.000 -2.015) 3.495 20.440 ( 1.047 0.000 2.901) 3.084 20.581 ( 8.813 0.000 -3.913) 9.642 20.755 ( 4.048 0.000 -2.401) 4.707 21.212 ( -8.742 0.000 12.202) 15.010 21.304 ( 1.610 0.000 4.328) 4.617 21.489 ( 1.042 0.000 -9.021) 9.081 21.877 ( 3.327 0.000 9.290) 9.868 22.640 ( 2.110 0.000 0.490) 2.166 22.656 ( 0.578 0.000 -0.353) 0.677 23.236 ( 5.318 0.000 3.323) 6.271 23.282 ( 4.307 0.000 -3.209) 5.371 ======================= Grid point 159 (83/108) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 14.142 0.000 5.875) 15.314 2.154 ( 9.947 0.000 4.654) 10.982 2.333 ( 8.664 0.000 -5.953) 10.512 2.499 ( 1.435 0.000 -2.262) 2.679 2.600 ( 4.900 0.000 -0.791) 4.963 2.641 ( 2.264 0.000 4.102) 4.685 2.972 ( 2.516 0.000 10.695) 10.987 3.011 ( 7.703 0.000 -6.822) 10.290 3.269 ( 8.910 0.000 1.788) 9.088 3.349 ( -2.582 0.000 -2.783) 3.796 3.400 ( -1.479 0.000 6.593) 6.757 3.540 ( 2.599 0.000 -1.209) 2.866 3.699 ( -3.268 0.000 1.354) 3.537 3.791 ( 4.973 0.000 -3.293) 5.964 3.864 ( 1.706 0.000 0.712) 1.849 3.932 ( 0.135 0.000 -4.431) 4.433 4.040 ( -0.830 0.000 4.497) 4.573 4.233 ( -2.002 0.000 -5.845) 6.178 4.242 ( -11.326 0.000 1.846) 11.476 4.422 ( -12.846 0.000 4.416) 13.584 4.622 ( 2.661 0.000 3.908) 4.728 4.785 ( 2.283 0.000 -3.575) 4.242 4.828 ( -4.735 0.000 6.856) 8.332 4.915 ( -4.794 0.000 -2.441) 5.380 4.950 ( -1.643 0.000 -2.171) 2.723 5.024 ( -2.631 0.000 -0.509) 2.680 5.518 ( 0.521 0.000 -5.124) 5.150 5.535 ( -2.005 0.000 -0.635) 2.103 5.691 ( 2.088 0.000 -3.478) 4.057 5.694 ( -0.034 0.000 2.268) 2.268 5.773 ( 1.916 0.000 -2.648) 3.268 5.844 ( -5.807 0.000 8.401) 10.213 6.188 ( -4.049 0.000 1.986) 4.510 6.201 ( -1.026 0.000 -2.481) 2.684 6.279 ( 1.616 0.000 3.285) 3.661 6.309 ( 2.723 0.000 1.707) 3.213 6.517 ( -5.799 0.000 7.085) 9.156 6.527 ( 1.581 0.000 -1.172) 1.968 6.552 ( -2.753 0.000 -2.562) 3.761 6.669 ( 1.486 0.000 -9.407) 9.524 7.162 ( 2.283 0.000 -1.796) 2.905 7.213 ( 1.588 0.000 0.586) 1.692 7.251 ( -2.470 0.000 3.164) 4.014 7.455 ( -5.849 0.000 -3.176) 6.656 7.755 ( 1.175 0.000 -2.567) 2.823 7.795 ( -2.583 0.000 1.390) 2.933 7.990 ( 2.688 0.000 4.548) 5.283 8.072 ( 2.596 0.000 -3.576) 4.419 10.888 ( 2.000 0.000 -0.665) 2.107 10.945 ( -2.044 0.000 1.372) 2.461 11.355 ( -1.130 0.000 4.893) 5.021 11.384 ( 2.692 0.000 -3.245) 4.217 11.453 ( -0.021 0.000 1.494) 1.494 11.495 ( 1.414 0.000 -3.530) 3.803 11.820 ( 2.133 0.000 0.424) 2.175 11.844 ( 2.098 0.000 -1.750) 2.732 12.748 ( 0.401 0.000 -0.894) 0.980 12.765 ( -0.930 0.000 -0.985) 1.355 13.392 ( 2.485 0.000 0.033) 2.485 13.497 ( -4.115 0.000 2.575) 4.854 20.461 ( 2.460 0.000 -2.393) 3.432 20.463 ( 0.866 0.000 1.261) 1.530 20.781 ( 10.529 0.000 -6.295) 12.267 20.843 ( 4.140 0.000 -0.476) 4.167 21.031 ( -8.376 0.000 9.790) 12.885 21.175 ( -9.061 0.000 -1.314) 9.156 21.656 ( 10.021 0.000 -1.082) 10.079 21.895 ( -1.837 0.000 5.917) 6.195 22.684 ( 1.940 0.000 0.227) 1.953 22.685 ( 1.799 0.000 -0.376) 1.838 23.314 ( 2.212 0.000 2.820) 3.584 23.354 ( 2.786 0.000 -3.153) 4.208 ======================= Grid point 160 (84/108) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( -0.577 0.000 5.151) 5.183 2.285 ( 5.095 0.000 2.253) 5.571 2.417 ( -6.350 0.000 -2.796) 6.939 2.441 ( 2.396 0.000 -4.045) 4.702 2.648 ( -1.400 0.000 3.589) 3.852 2.689 ( 1.964 0.000 -0.614) 2.058 2.973 ( -3.149 0.000 9.459) 9.969 3.181 ( 3.414 0.000 -8.489) 9.150 3.279 ( -4.559 0.000 3.466) 5.727 3.356 ( 7.086 0.000 -4.434) 8.359 3.446 ( 6.250 0.000 2.381) 6.688 3.455 ( -7.199 0.000 1.744) 7.407 3.722 ( 2.044 0.000 3.154) 3.758 3.789 ( -2.971 0.000 -3.211) 4.375 3.923 ( 2.953 0.000 0.822) 3.065 3.945 ( -2.294 0.000 -0.167) 2.300 4.052 ( -2.460 0.000 7.625) 8.012 4.137 ( -8.457 0.000 1.649) 8.616 4.210 ( 12.106 0.000 -2.069) 12.282 4.214 ( -3.325 0.000 -3.273) 4.666 4.720 ( 0.161 0.000 5.843) 5.845 4.756 ( 2.641 0.000 3.484) 4.372 4.802 ( -5.003 0.000 -3.905) 6.347 4.864 ( 3.933 0.000 -6.041) 7.209 4.965 ( -1.926 0.000 -1.439) 2.404 4.966 ( 2.359 0.000 -0.872) 2.515 5.489 ( -0.566 0.000 -0.258) 0.622 5.502 ( -0.971 0.000 -1.186) 1.532 5.658 ( -4.478 0.000 5.812) 7.337 5.746 ( -2.965 0.000 4.138) 5.091 5.773 ( 0.430 0.000 -4.199) 4.221 5.832 ( 7.695 0.000 -4.472) 8.900 6.141 ( -1.180 0.000 3.032) 3.253 6.213 ( 1.235 0.000 -3.497) 3.709 6.297 ( -0.052 0.000 4.154) 4.154 6.351 ( 1.398 0.000 1.403) 1.981 6.429 ( -1.980 0.000 5.984) 6.303 6.477 ( -3.362 0.000 5.485) 6.433 6.590 ( 3.798 0.000 -7.382) 8.301 6.679 ( -0.207 0.000 -9.223) 9.226 7.186 ( -3.006 0.000 1.034) 3.179 7.215 ( 2.517 0.000 -1.899) 3.153 7.276 ( 3.793 0.000 3.831) 5.391 7.351 ( -3.768 0.000 -3.000) 4.816 7.743 ( -2.587 0.000 1.894) 3.206 7.777 ( 1.092 0.000 -0.718) 1.307 8.024 ( 0.406 0.000 3.932) 3.953 8.109 ( 0.762 0.000 -4.904) 4.963 10.908 ( -1.715 0.000 1.095) 2.035 10.929 ( 1.995 0.000 -0.937) 2.204 11.329 ( -1.518 0.000 4.661) 4.902 11.425 ( 0.988 0.000 -0.417) 1.073 11.450 ( 0.031 0.000 -1.412) 1.412 11.514 ( 0.474 0.000 -3.337) 3.371 11.846 ( 0.457 0.000 -0.194) 0.497 11.869 ( 0.314 0.000 -2.406) 2.426 12.748 ( -0.852 0.000 0.235) 0.884 12.751 ( -0.102 0.000 -0.279) 0.297 13.424 ( -3.133 0.000 2.626) 4.088 13.446 ( 2.836 0.000 0.473) 2.876 20.469 ( -0.364 0.000 -0.264) 0.450 20.501 ( 1.392 0.000 -2.972) 3.282 20.813 ( -7.627 0.000 8.797) 11.643 20.976 ( -2.691 0.000 -4.265) 5.043 20.993 ( 5.196 0.000 0.119) 5.197 21.019 ( 5.384 0.000 -4.125) 6.782 21.809 ( -6.488 0.000 3.175) 7.223 21.844 ( 8.044 0.000 -0.198) 8.046 22.706 ( -0.044 0.000 -0.262) 0.266 22.711 ( 0.476 0.000 -0.506) 0.694 23.332 ( -0.435 0.000 2.191) 2.234 23.393 ( 1.017 0.000 -3.480) 3.625 ======================= Grid point 161 (85/108) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.143 ( -9.638 0.000 3.461) 10.240 2.174 ( -13.026 0.000 3.912) 13.601 2.265 ( -8.205 0.000 -5.211) 9.719 2.454 ( -6.223 0.000 1.207) 6.339 2.594 ( -0.759 0.000 -0.827) 1.122 2.692 ( -1.640 0.000 -1.047) 1.946 2.915 ( -0.968 0.000 2.461) 2.645 3.146 ( -4.241 0.000 -4.564) 6.230 3.257 ( 1.040 0.000 5.988) 6.077 3.269 ( -8.846 0.000 2.335) 9.149 3.493 ( -3.684 0.000 2.966) 4.730 3.543 ( 2.186 0.000 -6.615) 6.967 3.735 ( -0.045 0.000 -1.493) 1.493 3.758 ( 1.879 0.000 0.232) 1.893 3.848 ( -6.274 0.000 2.529) 6.764 3.855 ( -6.215 0.000 0.444) 6.231 4.055 ( 2.154 0.000 2.086) 2.998 4.064 ( 2.270 0.000 8.275) 8.581 4.327 ( 12.517 0.000 -4.027) 13.149 4.491 ( 13.749 0.000 -1.854) 13.873 4.681 ( -0.297 0.000 5.744) 5.751 4.705 ( -3.147 0.000 -4.618) 5.589 4.857 ( 4.090 0.000 4.347) 5.969 4.958 ( 5.059 0.000 -5.138) 7.211 4.993 ( 4.600 0.000 -5.963) 7.531 5.016 ( 2.108 0.000 0.165) 2.115 5.440 ( -5.474 0.000 2.512) 6.023 5.530 ( 4.156 0.000 -0.585) 4.197 5.592 ( -2.589 0.000 5.446) 6.030 5.713 ( 1.264 0.000 2.728) 3.007 5.743 ( -2.063 0.000 -2.371) 3.143 6.030 ( 10.101 0.000 -8.262) 13.050 6.132 ( 0.050 0.000 3.845) 3.845 6.237 ( 1.946 0.000 -2.645) 3.283 6.266 ( -2.120 0.000 2.982) 3.658 6.331 ( -3.853 0.000 -1.139) 4.018 6.442 ( -0.534 0.000 10.564) 10.578 6.460 ( 3.816 0.000 4.157) 5.643 6.650 ( -2.698 0.000 -7.974) 8.418 6.673 ( 4.176 0.000 -6.974) 8.129 7.134 ( -1.733 0.000 1.216) 2.117 7.236 ( -0.556 0.000 -2.129) 2.201 7.327 ( 1.640 0.000 -3.477) 3.844 7.370 ( 4.970 0.000 4.603) 6.774 7.688 ( -2.726 0.000 2.954) 4.020 7.809 ( 2.407 0.000 0.230) 2.418 8.012 ( -1.383 0.000 3.141) 3.432 8.094 ( -2.139 0.000 -5.683) 6.072 10.874 ( -1.554 0.000 0.643) 1.682 10.970 ( 2.039 0.000 -0.997) 2.269 11.296 ( -1.739 0.000 3.903) 4.273 11.415 ( -1.414 0.000 3.611) 3.878 11.461 ( 0.559 0.000 -4.851) 4.883 11.514 ( -0.345 0.000 -3.043) 3.062 11.839 ( -1.162 0.000 -1.058) 1.571 11.855 ( -1.555 0.000 -2.960) 3.344 12.728 ( -1.142 0.000 1.227) 1.677 12.746 ( -0.325 0.000 0.622) 0.702 13.367 ( -2.488 0.000 2.315) 3.399 13.507 ( 2.971 0.000 1.465) 3.312 20.447 ( -1.729 0.000 -1.389) 2.218 20.512 ( -0.531 0.000 -2.426) 2.484 20.657 ( -6.768 0.000 4.822) 8.310 20.831 ( -6.549 0.000 0.564) 6.573 21.127 ( 7.204 0.000 2.510) 7.628 21.235 ( 10.957 0.000 -8.765) 14.032 21.638 ( -9.979 0.000 1.219) 10.053 21.983 ( 5.395 0.000 -2.208) 5.829 22.682 ( -2.002 0.000 -0.415) 2.044 22.700 ( -1.454 0.000 -0.968) 1.747 23.299 ( -2.676 0.000 1.928) 3.298 23.392 ( -1.213 0.000 -4.382) 4.547 ======================= Grid point 162 (86/108) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( -16.516 0.000 8.894) 18.758 1.906 ( -12.849 0.000 4.942) 13.766 2.104 ( -6.254 0.000 -11.780) 13.337 2.229 ( -12.724 0.000 -1.986) 12.878 2.581 ( -2.337 0.000 0.369) 2.366 2.624 ( -4.756 0.000 -1.846) 5.101 2.908 ( -0.632 0.000 -1.868) 1.972 2.998 ( -10.303 0.000 4.390) 11.200 3.102 ( -7.546 0.000 -6.033) 9.662 3.276 ( -0.537 0.000 10.575) 10.589 3.320 ( -11.113 0.000 5.628) 12.457 3.466 ( -4.485 0.000 -5.049) 6.753 3.697 ( -6.093 0.000 -5.077) 7.931 3.705 ( -5.746 0.000 3.984) 6.992 3.795 ( 3.953 0.000 0.026) 3.954 3.844 ( 3.045 0.000 1.175) 3.264 4.105 ( 1.181 0.000 7.131) 7.229 4.189 ( 7.322 0.000 -0.817) 7.367 4.593 ( 10.309 0.000 -3.817) 10.993 4.701 ( 3.584 0.000 3.997) 5.369 4.740 ( 8.472 0.000 -0.387) 8.481 4.782 ( 12.263 0.000 -0.096) 12.263 4.966 ( 6.617 0.000 2.316) 7.011 5.012 ( -0.958 0.000 -0.808) 1.253 5.085 ( 3.705 0.000 -4.182) 5.587 5.104 ( 7.966 0.000 -5.354) 9.598 5.343 ( -3.365 0.000 2.715) 4.324 5.498 ( -4.851 0.000 4.895) 6.891 5.619 ( 3.316 0.000 -4.710) 5.760 5.720 ( 0.884 0.000 -0.135) 0.894 5.826 ( 8.019 0.000 1.488) 8.156 6.113 ( -2.831 0.000 4.964) 5.714 6.206 ( 6.071 0.000 -10.670) 12.277 6.215 ( -6.266 0.000 2.391) 6.707 6.260 ( 2.073 0.000 1.808) 2.750 6.315 ( 3.862 0.000 1.075) 4.009 6.415 ( -1.541 0.000 6.785) 6.958 6.518 ( -1.999 0.000 4.028) 4.496 6.586 ( -0.061 0.000 -5.470) 5.470 6.754 ( 3.887 0.000 -4.844) 6.210 7.120 ( 0.142 0.000 0.183) 0.232 7.216 ( -1.353 0.000 -3.520) 3.771 7.387 ( 3.897 0.000 -3.186) 5.034 7.473 ( 4.759 0.000 5.723) 7.443 7.640 ( -1.722 0.000 3.644) 4.031 7.887 ( 5.165 0.000 -0.646) 5.205 7.983 ( -1.090 0.000 2.789) 2.994 8.025 ( -3.961 0.000 -5.874) 7.085 10.847 ( -0.974 0.000 0.024) 0.975 11.015 ( 2.342 0.000 -0.646) 2.430 11.258 ( -2.120 0.000 2.676) 3.413 11.378 ( -2.181 0.000 3.613) 4.220 11.461 ( -0.483 0.000 -3.778) 3.808 11.499 ( -1.080 0.000 -2.684) 2.893 11.800 ( -2.481 0.000 -2.123) 3.265 11.805 ( -3.149 0.000 -3.418) 4.648 12.705 ( -0.877 0.000 2.044) 2.224 12.740 ( -0.174 0.000 1.860) 1.868 13.318 ( -2.454 0.000 2.086) 3.221 13.560 ( 1.751 0.000 3.261) 3.701 20.401 ( -2.596 0.000 -1.872) 3.201 20.456 ( -4.884 0.000 2.386) 5.436 20.573 ( -1.139 0.000 -3.664) 3.837 20.720 ( -4.278 0.000 1.227) 4.450 21.278 ( 6.820 0.000 6.335) 9.308 21.415 ( -10.804 0.000 -1.547) 10.914 21.448 ( 9.657 0.000 -9.664) 13.662 22.053 ( 1.140 0.000 -6.939) 7.032 22.647 ( -0.764 0.000 0.303) 0.822 22.661 ( -2.010 0.000 -1.282) 2.385 23.226 ( -4.449 0.000 2.002) 4.879 23.333 ( -4.683 0.000 -5.736) 7.405 ======================= Grid point 163 (87/108) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( -12.298 0.000 13.164) 18.014 1.639 ( -12.752 0.000 8.813) 15.501 1.971 ( -11.918 0.000 -4.994) 12.923 2.032 ( -0.411 0.000 -18.758) 18.763 2.501 ( -4.767 0.000 3.048) 5.658 2.504 ( -6.636 0.000 -2.924) 7.252 2.769 ( -10.519 0.000 3.439) 11.067 2.857 ( -5.131 0.000 -0.720) 5.181 2.944 ( -7.083 0.000 -6.529) 9.633 3.048 ( -13.492 0.000 11.429) 17.682 3.266 ( -1.149 0.000 12.015) 12.070 3.428 ( 0.093 0.000 -5.606) 5.607 3.609 ( -1.916 0.000 -3.730) 4.194 3.625 ( -1.853 0.000 -1.033) 2.122 3.904 ( 3.374 0.000 -2.120) 3.985 3.912 ( 7.324 0.000 1.144) 7.413 4.132 ( 1.985 0.000 7.138) 7.409 4.316 ( 5.752 0.000 -3.863) 6.929 4.729 ( -1.932 0.000 4.023) 4.463 4.748 ( 4.726 0.000 3.457) 5.855 4.896 ( -0.615 0.000 -1.119) 1.276 4.979 ( 3.549 0.000 1.738) 3.952 5.004 ( 5.857 0.000 -4.142) 7.174 5.136 ( 12.130 0.000 -0.140) 12.131 5.181 ( 5.612 0.000 -2.002) 5.959 5.283 ( -1.299 0.000 4.945) 5.113 5.323 ( 12.513 0.000 -4.846) 13.418 5.471 ( 1.805 0.000 1.489) 2.340 5.664 ( 1.983 0.000 -7.130) 7.401 5.777 ( 3.528 0.000 1.125) 3.703 5.977 ( -0.278 0.000 5.123) 5.131 6.031 ( 0.931 0.000 -1.210) 1.527 6.038 ( -9.880 0.000 1.636) 10.015 6.247 ( -6.107 0.000 7.248) 9.478 6.331 ( 2.905 0.000 2.538) 3.858 6.335 ( 3.668 0.000 -7.434) 8.289 6.426 ( -2.365 0.000 6.992) 7.382 6.475 ( 4.666 0.000 -1.515) 4.906 6.620 ( 0.757 0.000 -2.454) 2.568 6.827 ( 2.844 0.000 -3.337) 4.384 7.122 ( -0.385 0.000 -1.147) 1.209 7.170 ( -3.054 0.000 -5.187) 6.020 7.481 ( 5.026 0.000 -1.641) 5.287 7.562 ( 3.615 0.000 6.557) 7.488 7.631 ( 0.914 0.000 3.679) 3.791 7.913 ( -3.884 0.000 -6.960) 7.970 7.988 ( 2.013 0.000 2.618) 3.302 8.048 ( 7.518 0.000 -1.726) 7.714 10.842 ( 0.708 0.000 -0.888) 1.135 11.066 ( 2.542 0.000 0.316) 2.562 11.207 ( -2.941 0.000 1.373) 3.246 11.333 ( -2.171 0.000 3.557) 4.167 11.438 ( -1.798 0.000 -2.451) 3.040 11.468 ( -1.888 0.000 -2.475) 3.113 11.730 ( -3.938 0.000 -3.669) 5.382 11.739 ( -3.302 0.000 -3.113) 4.538 12.709 ( 1.733 0.000 2.105) 2.727 12.743 ( 0.410 0.000 3.202) 3.228 13.267 ( -2.403 0.000 2.126) 3.208 13.563 ( -1.964 0.000 5.232) 5.588 20.346 ( -2.497 0.000 -1.912) 3.145 20.354 ( -4.433 0.000 1.784) 4.778 20.587 ( 2.417 0.000 -4.630) 5.223 20.655 ( -2.052 0.000 0.880) 2.233 21.183 ( -9.040 0.000 -1.072) 9.103 21.440 ( 6.771 0.000 6.440) 9.345 21.611 ( 5.577 0.000 -10.771) 12.129 22.026 ( -2.963 0.000 -11.671) 12.041 22.627 ( -1.099 0.000 -1.327) 1.723 22.668 ( 2.721 0.000 0.412) 2.752 23.121 ( -5.640 0.000 2.150) 6.036 23.183 ( -9.951 0.000 -6.117) 11.681 ======================= Grid point 164 (88/108) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( -2.048 0.000 16.563) 16.689 1.412 ( -8.826 0.000 13.536) 16.159 1.746 ( -9.744 0.000 -5.146) 11.019 2.029 ( -1.918 0.000 -21.590) 21.676 2.389 ( -2.321 0.000 -3.355) 4.080 2.408 ( -4.659 0.000 5.933) 7.543 2.625 ( -2.878 0.000 -0.356) 2.900 2.676 ( -11.118 0.000 11.876) 16.268 2.834 ( -6.566 0.000 3.090) 7.257 2.841 ( -2.216 0.000 -6.232) 6.614 3.261 ( 0.437 0.000 8.958) 8.968 3.432 ( 0.259 0.000 -7.071) 7.075 3.598 ( -0.077 0.000 -0.735) 0.739 3.615 ( 0.505 0.000 -3.175) 3.215 4.018 ( 8.180 0.000 -5.210) 9.698 4.082 ( 8.031 0.000 0.983) 8.091 4.212 ( 5.984 0.000 6.088) 8.537 4.423 ( 4.005 0.000 -2.451) 4.695 4.602 ( -9.205 0.000 1.929) 9.405 4.676 ( -9.176 0.000 -0.504) 9.190 4.935 ( 5.109 0.000 0.081) 5.110 5.001 ( -0.050 0.000 6.016) 6.017 5.158 ( 7.338 0.000 -3.958) 8.337 5.252 ( 3.546 0.000 3.652) 5.090 5.350 ( 3.924 0.000 1.956) 4.384 5.424 ( 14.024 0.000 -3.991) 14.581 5.497 ( -0.364 0.000 3.953) 3.970 5.521 ( 3.787 0.000 -1.724) 4.161 5.684 ( -0.385 0.000 -4.009) 4.027 5.794 ( -7.242 0.000 0.599) 7.266 5.818 ( -7.779 0.000 3.255) 8.433 5.869 ( -1.378 0.000 -1.867) 2.321 6.147 ( -0.868 0.000 4.034) 4.126 6.160 ( 5.821 0.000 3.782) 6.942 6.304 ( -2.586 0.000 5.118) 5.734 6.376 ( 0.816 0.000 -1.696) 1.882 6.523 ( 8.208 0.000 6.588) 10.525 6.543 ( 1.124 0.000 -5.608) 5.719 6.591 ( -3.363 0.000 -3.232) 4.664 6.849 ( -0.908 0.000 -1.763) 1.983 7.097 ( -1.975 0.000 -1.735) 2.629 7.102 ( -2.880 0.000 -6.486) 7.097 7.568 ( 2.721 0.000 3.851) 4.716 7.616 ( 1.246 0.000 5.930) 6.059 7.681 ( 3.913 0.000 -0.740) 3.982 7.841 ( -2.549 0.000 -6.863) 7.321 8.067 ( 4.908 0.000 3.351) 5.943 8.196 ( 5.567 0.000 -3.600) 6.630 10.886 ( 3.813 0.000 -2.052) 4.330 11.073 ( -4.113 0.000 1.199) 4.284 11.175 ( 1.892 0.000 1.412) 2.361 11.297 ( -1.211 0.000 3.404) 3.613 11.386 ( -3.207 0.000 -1.139) 3.403 11.424 ( -2.167 0.000 -2.680) 3.447 11.654 ( -2.956 0.000 -3.198) 4.355 11.670 ( -3.085 0.000 -3.326) 4.537 12.760 ( 1.065 0.000 4.123) 4.258 12.787 ( 5.289 0.000 -0.672) 5.331 13.242 ( 1.048 0.000 2.329) 2.554 13.474 ( -6.487 0.000 5.019) 8.202 20.285 ( -2.142 0.000 0.520) 2.205 20.303 ( -1.528 0.000 -2.075) 2.577 20.638 ( 0.481 0.000 0.197) 0.520 20.652 ( 2.600 0.000 -0.730) 2.700 21.077 ( 0.424 0.000 -3.112) 3.140 21.565 ( 4.944 0.000 9.891) 11.058 21.605 ( -7.918 0.000 -11.889) 14.285 21.968 ( -1.752 0.000 -13.571) 13.684 22.624 ( 1.062 0.000 -1.477) 1.819 22.730 ( 1.340 0.000 -0.507) 1.432 22.949 ( -9.829 0.000 -2.624) 10.174 23.001 ( -5.894 0.000 2.011) 6.228 ======================= Grid point 165 (89/108) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( 0.751 9.597 16.387) 19.005 1.574 ( 1.755 11.946 16.744) 20.644 1.733 ( -4.173 11.555 -3.701) 12.830 1.950 ( -3.972 3.430 -12.517) 13.573 2.297 ( -0.706 -1.744 7.657) 7.885 2.376 ( -4.716 2.390 3.507) 6.344 2.514 ( -1.778 -6.529 0.749) 6.808 2.605 ( 5.794 0.242 -5.174) 7.771 2.752 ( 2.023 -0.216 1.982) 2.840 2.908 ( 2.518 4.012 -8.494) 9.725 3.328 ( -0.378 2.045 7.755) 8.029 3.485 ( 0.377 0.534 -4.084) 4.136 3.542 ( 0.148 -1.577 -0.648) 1.711 3.648 ( 1.603 1.741 -8.275) 8.606 3.996 ( -3.820 -11.739 2.958) 12.694 4.086 ( 4.293 -8.508 -5.638) 11.072 4.416 ( 5.509 2.917 3.404) 7.103 4.458 ( -7.704 2.937 -0.455) 8.257 4.550 ( 7.116 6.408 -1.629) 9.714 4.566 ( -2.604 4.975 -2.959) 6.347 5.005 ( -0.651 1.077 6.739) 6.855 5.088 ( 1.876 3.319 0.749) 3.886 5.178 ( -2.957 -5.196 5.081) 7.846 5.268 ( -1.034 -3.079 -2.673) 4.207 5.313 ( 1.377 -5.421 3.200) 6.444 5.354 ( -2.507 -5.930 0.325) 6.446 5.555 ( 0.619 0.028 2.215) 2.300 5.606 ( -5.281 0.902 3.419) 6.355 5.626 ( 1.198 -0.876 0.409) 1.539 5.677 ( -0.896 -0.482 0.073) 1.020 5.811 ( 1.368 4.370 1.154) 4.722 5.911 ( 2.623 3.788 -8.420) 9.598 6.174 ( -2.065 -5.118 8.608) 10.225 6.242 ( 3.130 1.838 2.644) 4.490 6.270 ( -1.250 2.297 -1.186) 2.872 6.345 ( 1.720 -6.400 -4.532) 8.029 6.459 ( 1.102 -0.033 2.605) 2.829 6.552 ( -1.763 -0.020 -4.198) 4.554 6.762 ( 2.072 4.547 4.135) 6.486 6.820 ( -1.068 1.862 -1.475) 2.605 7.063 ( -1.635 1.954 -0.719) 2.647 7.114 ( -0.278 4.282 -5.985) 7.364 7.536 ( 0.302 -2.816 5.766) 6.424 7.667 ( 0.974 -2.093 -5.796) 6.239 7.769 ( -1.143 6.042 5.686) 8.375 7.897 ( 1.319 6.633 -5.720) 8.857 8.125 ( 0.326 -1.957 5.222) 5.586 8.217 ( -1.619 -1.327 -3.470) 4.052 10.923 ( -4.287 -2.069 1.772) 5.079 10.966 ( 5.163 -2.615 -2.430) 6.277 11.199 ( 2.442 -2.016 2.268) 3.895 11.241 ( -3.595 -2.586 -1.359) 4.632 11.384 ( 0.911 3.987 2.492) 4.789 11.431 ( -1.296 2.675 -1.986) 3.575 11.617 ( -0.715 0.011 -1.584) 1.738 11.628 ( -0.609 0.228 -2.500) 2.583 12.781 ( 0.297 0.498 3.624) 3.670 12.856 ( 1.359 -0.811 -3.341) 3.697 13.308 ( -2.421 -2.337 1.776) 3.805 13.329 ( 5.637 -2.870 -0.186) 6.328 20.236 ( 0.082 -2.495 -0.679) 2.587 20.248 ( 0.687 -3.007 -1.871) 3.608 20.694 ( -3.817 3.482 1.351) 5.340 20.721 ( 4.247 3.243 -1.207) 5.478 21.216 ( 9.563 0.807 3.793) 10.319 21.313 ( -15.430 2.200 -4.510) 16.226 21.643 ( -0.187 1.211 9.028) 9.111 21.888 ( -4.625 -2.583 -12.789) 13.843 22.670 ( -5.305 2.506 2.180) 6.259 22.699 ( 3.442 2.067 -0.479) 4.043 22.887 ( -3.393 -0.847 0.703) 3.567 22.919 ( 5.001 -1.379 -2.239) 5.650 ======================= Grid point 166 (90/108) ======================= q-point: ( 0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 6.278 11.473 13.773) 18.993 1.587 ( -0.956 10.163 20.593) 22.984 1.796 ( 9.668 6.314 -3.859) 12.175 1.938 ( 3.120 7.044 -7.721) 10.907 2.281 ( 1.052 4.834 8.002) 9.408 2.377 ( 4.212 -5.557 2.259) 7.329 2.495 ( 0.260 -5.934 0.627) 5.973 2.745 ( 7.671 1.754 -6.806) 10.404 2.839 ( 5.655 2.266 1.845) 6.365 3.024 ( 7.402 -0.110 -7.483) 10.526 3.314 ( -0.777 -0.223 6.576) 6.626 3.464 ( -3.027 -0.486 -3.394) 4.574 3.550 ( 0.694 -2.008 -0.945) 2.325 3.706 ( 4.144 4.421 -9.575) 11.332 3.891 ( -4.151 -6.441 2.420) 8.036 4.121 ( -1.299 -5.752 -5.264) 7.905 4.271 ( -7.530 1.355 -3.678) 8.489 4.339 ( -7.287 -0.816 0.635) 7.360 4.660 ( 6.040 1.118 0.955) 6.216 4.775 ( 10.100 5.146 -4.221) 12.096 4.932 ( -6.283 -0.399 2.736) 6.865 4.989 ( -5.981 -1.079 7.704) 9.813 5.116 ( -1.483 3.181 0.407) 3.533 5.226 ( -6.500 1.237 4.501) 8.002 5.293 ( -5.312 -4.760 3.754) 8.060 5.368 ( 0.176 -1.522 0.662) 1.669 5.437 ( -6.402 3.101 3.523) 7.938 5.518 ( -5.256 -1.519 0.401) 5.486 5.640 ( -0.688 -0.049 1.973) 2.090 5.710 ( 6.020 -6.618 0.612) 8.967 5.862 ( 2.060 -1.248 -0.162) 2.414 5.980 ( 1.983 4.380 -5.327) 7.176 6.140 ( -0.704 -6.130 6.067) 8.653 6.206 ( -1.079 -0.374 -2.105) 2.395 6.248 ( -2.512 0.872 -0.370) 2.684 6.381 ( 1.350 -4.197 -5.135) 6.768 6.491 ( -0.385 0.731 0.055) 0.828 6.539 ( 0.689 0.696 0.053) 0.981 6.730 ( -1.466 5.809 0.315) 6.000 6.863 ( 1.059 2.575 0.136) 2.787 7.055 ( 1.340 2.151 1.636) 3.016 7.124 ( 1.171 4.017 -4.311) 6.008 7.513 ( -3.111 -1.635 3.949) 5.287 7.651 ( -2.189 -1.394 -4.678) 5.350 7.755 ( 0.381 2.628 3.905) 4.722 7.903 ( -1.031 6.994 -5.432) 8.916 8.057 ( -5.833 -3.205 3.970) 7.750 8.141 ( -4.788 0.727 -0.010) 4.843 10.850 ( -2.296 0.155 0.856) 2.455 11.044 ( 1.167 -5.571 -2.648) 6.278 11.186 ( -0.347 -0.264 -0.193) 0.477 11.263 ( 2.831 -3.345 2.794) 5.197 11.412 ( 1.405 3.141 1.165) 3.633 11.430 ( 1.432 2.928 -0.304) 3.273 11.629 ( 1.963 0.271 -0.455) 2.033 11.650 ( 2.520 0.402 -1.170) 2.807 12.766 ( -1.495 0.767 1.314) 2.134 12.847 ( -1.354 -0.474 -3.925) 4.179 13.266 ( 0.292 0.081 0.035) 0.305 13.504 ( 7.143 -7.061 -2.890) 10.452 20.257 ( 2.149 -2.436 -1.421) 3.546 20.292 ( 3.561 -2.234 -2.608) 4.947 20.626 ( -2.997 3.550 2.100) 5.099 20.824 ( 3.609 8.700 -3.001) 9.885 20.988 ( -9.078 2.479 3.074) 9.900 21.408 ( 5.947 1.140 7.887) 9.944 21.634 ( -1.093 -2.733 11.323) 11.699 21.765 ( -5.858 -2.191 -7.622) 9.860 22.606 ( -1.072 1.412 1.555) 2.358 22.711 ( -2.197 0.026 1.314) 2.560 22.934 ( 7.306 0.986 -0.050) 7.372 23.045 ( 6.550 -1.185 -2.815) 7.227 ======================= Grid point 167 (91/108) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 4.554 7.918 18.746) 20.853 1.746 ( 12.881 10.732 8.515) 18.804 2.036 ( 12.328 7.580 -4.110) 15.044 2.043 ( 7.037 4.920 -5.774) 10.347 2.371 ( 6.547 -1.330 6.252) 9.150 2.458 ( 2.907 -4.688 1.496) 5.716 2.614 ( 11.777 -3.697 2.936) 12.688 2.906 ( 7.704 3.900 -5.566) 10.273 2.956 ( 4.815 5.803 2.937) 8.092 3.169 ( 6.163 -4.315 -2.720) 8.000 3.317 ( 1.636 -0.549 4.188) 4.530 3.369 ( -4.081 -4.703 -2.588) 6.743 3.588 ( 3.202 -1.664 0.284) 3.620 3.793 ( 3.673 4.897 -7.623) 9.777 3.875 ( 1.622 -3.096 -1.721) 3.896 4.030 ( -5.717 4.788 -3.090) 8.072 4.178 ( -4.849 -6.046 -3.944) 8.696 4.208 ( -1.958 -0.803 -2.116) 2.993 4.682 ( -5.250 -6.241 -1.501) 8.293 4.778 ( -7.452 -0.944 7.433) 10.567 4.831 ( -5.120 -3.868 3.954) 7.537 4.960 ( -2.574 3.266 2.086) 4.652 5.026 ( -10.014 -0.174 2.311) 10.278 5.053 ( -4.149 3.090 2.396) 5.702 5.195 ( -4.260 5.009 2.387) 6.995 5.266 ( -9.007 4.002 -1.429) 9.959 5.350 ( 0.562 -1.181 0.708) 1.487 5.470 ( 3.058 0.035 -1.100) 3.250 5.639 ( 0.290 2.383 2.600) 3.539 5.805 ( -1.636 -0.885 0.811) 2.029 5.870 ( 1.841 -6.331 3.502) 7.466 6.060 ( 3.153 -3.065 2.751) 5.187 6.066 ( -6.440 0.073 -3.509) 7.334 6.130 ( 1.292 -1.737 -0.252) 2.180 6.344 ( 6.818 -5.193 -6.042) 10.486 6.410 ( -0.099 -2.236 -0.188) 2.246 6.429 ( -4.229 2.326 -1.757) 5.136 6.516 ( -2.459 -0.381 -0.567) 2.552 6.731 ( 0.572 8.370 -0.652) 8.415 6.825 ( -4.315 4.211 1.789) 6.289 7.096 ( 1.497 -0.021 1.452) 2.086 7.155 ( 1.901 3.156 -2.785) 4.619 7.417 ( -5.586 -0.278 2.702) 6.211 7.581 ( -4.160 -4.871 -5.134) 8.209 7.785 ( 1.091 0.775 4.000) 4.218 7.852 ( -2.447 5.447 -1.704) 6.210 7.972 ( -2.085 -1.119 1.199) 2.653 8.049 ( -3.017 1.510 -0.376) 3.395 10.831 ( 0.257 0.492 -0.049) 0.557 11.017 ( -2.471 -4.311 -0.724) 5.022 11.221 ( 2.643 -1.340 -1.020) 3.134 11.305 ( 1.134 -3.771 2.519) 4.674 11.448 ( 2.116 2.949 0.086) 3.630 11.470 ( 2.081 2.761 0.633) 3.515 11.692 ( 3.749 0.682 0.414) 3.832 11.718 ( 3.836 0.572 -0.646) 3.932 12.742 ( -0.534 0.846 -0.662) 1.200 12.817 ( -1.346 -0.210 -3.453) 3.712 13.299 ( 2.272 0.825 0.060) 2.418 13.576 ( 0.104 -6.838 -1.190) 6.941 20.324 ( 4.182 -0.824 -2.728) 5.061 20.389 ( 5.707 -1.400 -3.370) 6.774 20.567 ( -2.163 6.858 4.671) 8.575 20.796 ( -0.683 10.356 -2.564) 10.690 21.047 ( 6.938 -5.909 3.617) 9.806 21.433 ( -2.107 5.081 11.214) 12.491 21.550 ( -7.044 -6.141 -8.229) 12.452 21.752 ( 4.159 -2.073 10.688) 11.655 22.607 ( 0.883 0.450 0.957) 1.377 22.669 ( -1.333 -0.091 0.303) 1.370 23.102 ( 7.941 0.783 1.970) 8.219 23.174 ( 5.800 -0.688 -2.749) 6.455 ======================= Grid point 168 (92/108) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( 10.628 3.175 12.348) 16.598 2.045 ( 15.202 10.358 5.692) 19.256 2.178 ( 6.517 3.789 -4.952) 9.020 2.293 ( 10.719 0.051 -0.566) 10.734 2.527 ( 8.967 -0.670 0.796) 9.027 2.543 ( 4.984 0.564 2.481) 5.596 2.854 ( 8.364 -2.248 2.530) 9.023 3.008 ( 0.870 6.724 1.467) 6.937 3.076 ( 10.055 2.737 -2.212) 10.653 3.239 ( 0.788 -7.118 2.513) 7.590 3.350 ( 2.623 -5.871 -2.433) 6.875 3.427 ( 7.609 1.089 1.805) 7.896 3.676 ( 4.842 -2.378 0.359) 5.407 3.815 ( -1.982 1.530 -3.962) 4.687 3.906 ( 1.128 2.612 -2.622) 3.869 3.953 ( -1.210 5.890 -4.634) 7.592 4.083 ( -2.977 -4.658 1.578) 5.749 4.213 ( -0.377 -0.656 -4.675) 4.736 4.485 ( -11.654 -2.950 2.642) 12.309 4.598 ( -9.696 -3.801 5.430) 11.745 4.693 ( -14.242 -4.571 1.761) 15.061 4.732 ( -4.290 -3.963 2.910) 6.525 4.879 ( -5.460 0.120 5.019) 7.417 5.017 ( -5.723 -2.270 -0.149) 6.158 5.095 ( -5.177 4.658 -1.081) 7.047 5.135 ( -1.239 6.139 -3.062) 6.971 5.414 ( 4.056 0.406 -1.103) 4.223 5.596 ( 5.554 2.722 -2.054) 6.517 5.661 ( 1.923 1.945 1.055) 2.932 5.718 ( -3.896 0.862 0.130) 3.993 5.826 ( -5.428 -2.284 1.782) 6.152 5.957 ( -2.586 2.244 4.471) 5.631 6.135 ( 4.313 -6.744 2.248) 8.315 6.239 ( 4.844 2.108 -2.574) 5.877 6.300 ( -5.714 0.956 -0.829) 5.853 6.351 ( -4.610 1.830 -0.201) 4.964 6.457 ( 2.825 -5.528 -2.018) 6.528 6.514 ( 1.910 -1.511 -2.998) 3.863 6.703 ( -6.586 4.804 2.325) 8.477 6.731 ( -1.107 6.455 -0.932) 6.616 7.104 ( -0.332 -1.484 0.564) 1.622 7.187 ( 0.934 0.483 -1.631) 1.941 7.311 ( -4.232 -0.666 1.963) 4.712 7.492 ( -4.535 -6.214 -4.859) 9.099 7.759 ( -1.398 1.306 -0.289) 1.935 7.837 ( -1.376 -0.230 3.039) 3.344 7.970 ( 2.335 3.077 0.568) 3.905 8.040 ( 1.484 1.383 -1.586) 2.575 10.850 ( 1.400 0.161 -0.535) 1.507 10.968 ( -2.120 -2.475 0.521) 3.300 11.271 ( 1.931 -3.061 -0.452) 3.647 11.318 ( 0.346 -3.758 0.885) 3.877 11.487 ( 1.445 3.345 2.286) 4.301 11.514 ( 2.173 3.026 -1.847) 4.158 11.769 ( 3.494 0.802 0.506) 3.620 11.795 ( 3.416 0.640 -0.913) 3.593 12.743 ( 0.411 0.648 -1.006) 1.265 12.792 ( -1.015 0.197 -2.349) 2.566 13.346 ( 2.150 0.509 0.148) 2.214 13.537 ( -3.109 -4.533 1.457) 5.686 20.414 ( 4.300 1.098 -4.032) 5.996 20.479 ( 1.530 2.218 1.028) 2.884 20.598 ( 6.296 2.656 -0.971) 6.902 20.825 ( 2.937 6.266 -2.654) 7.411 21.096 ( -3.617 -7.409 8.351) 11.735 21.357 ( -7.640 -0.789 -1.030) 7.749 21.492 ( 5.549 2.736 -0.506) 6.207 21.840 ( 2.990 -3.680 9.121) 10.279 22.637 ( 1.941 0.154 0.903) 2.146 22.666 ( 0.980 0.450 -0.349) 1.134 23.240 ( 5.253 0.392 2.564) 5.858 23.278 ( 4.397 -0.341 -2.526) 5.082 ======================= Grid point 169 (93/108) ======================= q-point: ( 0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 11.093 -0.872 6.636) 12.956 2.282 ( 3.095 -2.687 -3.986) 5.717 2.336 ( 11.997 10.364 4.988) 16.620 2.450 ( 4.727 -2.116 1.813) 5.487 2.624 ( 2.389 -0.667 2.003) 3.188 2.715 ( 6.589 8.472 -2.716) 11.071 2.941 ( 2.150 -3.068 6.358) 7.380 3.066 ( 5.650 4.949 -5.601) 9.369 3.234 ( -0.491 -5.880 1.581) 6.108 3.296 ( 9.360 2.131 0.543) 9.615 3.395 ( 0.382 -3.157 -0.825) 3.285 3.555 ( 1.709 0.122 1.389) 2.205 3.751 ( -1.036 0.767 2.178) 2.531 3.758 ( 1.246 -0.542 -0.598) 1.485 3.933 ( 2.614 4.366 -1.480) 5.299 3.950 ( 0.049 3.636 -4.489) 5.777 4.027 ( -3.043 -1.512 2.785) 4.394 4.169 ( -2.976 -2.125 1.231) 3.858 4.273 ( -6.874 -0.719 -1.382) 7.048 4.392 ( -10.767 -2.444 4.059) 11.763 4.510 ( -1.933 -6.657 3.718) 7.866 4.689 ( -1.898 -9.487 -0.617) 9.694 4.791 ( -1.892 -1.308 -0.802) 2.435 4.872 ( -6.822 -3.353 -0.762) 7.640 5.031 ( -0.805 6.043 -0.729) 6.140 5.113 ( -1.967 4.589 -1.932) 5.354 5.470 ( 0.820 -0.472 -0.187) 0.965 5.572 ( -5.133 -0.673 -1.048) 5.282 5.682 ( 4.723 0.708 -0.297) 4.785 5.745 ( -1.674 0.872 1.508) 2.416 5.794 ( 4.101 6.088 -2.570) 7.777 5.915 ( -2.991 5.289 4.543) 7.587 6.171 ( -1.321 -0.918 -1.413) 2.141 6.222 ( 0.977 -1.975 3.784) 4.379 6.257 ( -2.104 -0.002 0.487) 2.160 6.348 ( 2.492 3.810 0.639) 4.598 6.493 ( 0.551 -2.822 -4.133) 5.035 6.536 ( -0.665 1.091 1.653) 2.089 6.567 ( -4.754 2.300 2.930) 6.040 6.710 ( -0.700 2.859 -5.196) 5.972 7.103 ( 0.648 -3.732 1.429) 4.049 7.192 ( -0.707 -2.512 -0.572) 2.671 7.252 ( -1.295 -0.641 0.381) 1.494 7.392 ( -4.850 -5.436 -3.818) 8.225 7.754 ( 0.622 0.317 -0.218) 0.731 7.798 ( -2.002 0.198 1.345) 2.420 8.027 ( 2.307 2.912 2.528) 4.493 8.083 ( 2.294 0.893 -3.059) 3.927 10.882 ( 1.600 -0.476 -0.557) 1.760 10.930 ( -1.699 -1.441 1.055) 2.465 11.288 ( -0.242 -3.588 3.432) 4.971 11.334 ( 1.308 -4.210 -3.698) 5.754 11.508 ( 0.541 4.253 3.073) 5.275 11.554 ( 1.692 3.314 -3.159) 4.881 11.828 ( 2.158 0.804 0.188) 2.311 11.852 ( 2.016 0.577 -1.573) 2.621 12.751 ( 0.273 0.427 -0.458) 0.683 12.774 ( -0.739 0.571 -1.126) 1.463 13.388 ( 2.027 -0.276 0.232) 2.059 13.470 ( -3.158 -2.428 2.406) 4.654 20.486 ( -0.282 2.599 3.135) 4.082 20.493 ( 3.379 2.499 -4.565) 6.205 20.766 ( 8.766 -1.027 -5.399) 10.346 20.904 ( 4.652 5.052 -1.915) 7.129 20.965 ( -7.502 -5.306 8.621) 12.600 21.185 ( -8.444 0.008 -1.536) 8.583 21.657 ( 8.640 0.413 0.353) 8.657 21.859 ( -1.401 -3.463 5.784) 6.886 22.681 ( 2.072 0.295 0.689) 2.204 22.699 ( 1.785 0.641 -0.434) 1.946 23.318 ( 2.314 0.420 2.206) 3.225 23.352 ( 2.743 -0.285 -2.613) 3.799 ======================= Grid point 170 (94/108) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( 3.844 -2.274 4.774) 6.537 2.284 ( -2.588 -3.926 -5.317) 7.098 2.476 ( -1.271 2.385 2.675) 3.803 2.511 ( 3.076 7.436 1.773) 8.240 2.645 ( -0.650 -1.074 4.395) 4.571 2.754 ( -0.797 7.237 -4.112) 8.362 2.977 ( 0.105 -0.141 8.485) 8.487 3.121 ( -2.328 -2.096 -3.486) 4.687 3.278 ( -1.962 -2.777 0.886) 3.514 3.347 ( 6.885 1.784 -5.737) 9.138 3.448 ( -7.981 0.439 3.572) 8.755 3.504 ( 6.309 1.438 -1.571) 6.659 3.746 ( 0.466 1.259 2.630) 2.953 3.776 ( -0.353 -1.104 -0.688) 1.348 3.928 ( -4.191 -0.563 4.156) 5.929 3.984 ( 3.098 3.052 -0.485) 4.376 4.040 ( -6.578 2.508 1.129) 7.129 4.081 ( 7.239 -5.504 -1.917) 9.294 4.190 ( -6.346 2.477 5.490) 8.749 4.285 ( 4.135 1.504 -2.334) 4.980 4.556 ( 4.345 -11.567 3.489) 12.840 4.619 ( -3.318 -9.711 -1.750) 10.410 4.764 ( -1.992 -3.025 -0.646) 3.680 4.825 ( 3.618 -3.802 -5.450) 7.566 5.031 ( -1.443 5.418 1.544) 5.815 5.075 ( 0.243 4.935 -2.371) 5.480 5.468 ( -0.173 -0.483 1.963) 2.029 5.513 ( -0.240 0.586 -2.015) 2.112 5.698 ( -3.144 3.674 5.315) 7.185 5.795 ( 1.252 2.306 -2.966) 3.960 5.837 ( -3.098 5.220 -0.021) 6.070 5.853 ( 5.735 3.695 -1.804) 7.057 6.179 ( 0.028 2.539 0.589) 2.607 6.215 ( 0.910 -0.792 -1.732) 2.111 6.272 ( 1.324 -2.184 5.687) 6.234 6.365 ( -1.031 1.034 -1.334) 1.978 6.410 ( -4.701 0.896 5.811) 7.528 6.528 ( -0.009 2.869 2.505) 3.808 6.586 ( 4.034 1.347 -3.931) 5.791 6.697 ( -0.732 0.268 -7.174) 7.217 7.139 ( 1.330 -4.557 1.937) 5.127 7.153 ( -1.069 -3.912 0.274) 4.064 7.265 ( 1.782 -2.103 0.161) 2.761 7.307 ( -2.854 -4.089 -3.008) 5.823 7.755 ( -1.722 1.069 1.660) 2.620 7.778 ( 1.089 0.369 -0.001) 1.150 8.052 ( 0.024 2.316 2.639) 3.511 8.115 ( 0.623 0.470 -3.977) 4.053 10.895 ( -1.516 -1.035 1.267) 2.230 10.914 ( 1.304 -1.373 -0.367) 1.929 11.275 ( -0.970 -2.969 3.605) 4.770 11.360 ( 1.123 -4.898 -4.251) 6.582 11.511 ( -0.344 4.959 2.802) 5.706 11.579 ( 0.724 3.494 -3.616) 5.080 11.855 ( 0.453 0.789 -0.336) 0.970 11.875 ( 0.268 0.487 -2.265) 2.333 12.751 ( -0.353 0.442 0.565) 0.799 12.760 ( -0.611 0.615 -0.300) 0.917 13.412 ( -2.413 -0.936 2.367) 3.507 13.432 ( 2.233 -1.257 0.504) 2.612 20.471 ( -1.338 1.109 2.329) 2.906 20.544 ( 1.479 2.909 -4.049) 5.201 20.799 ( -6.782 -1.191 6.741) 9.636 20.938 ( 6.042 -2.654 -4.591) 8.039 21.021 ( -5.375 1.285 -0.624) 5.562 21.037 ( 6.654 2.035 -2.919) 7.546 21.788 ( -4.969 -1.709 3.119) 6.110 21.821 ( 6.858 -2.049 -0.046) 7.158 22.708 ( 0.251 0.428 0.352) 0.609 22.722 ( 0.223 0.639 -0.792) 1.042 23.338 ( -0.305 0.645 1.640) 1.788 23.389 ( 0.887 -0.450 -3.000) 3.161 ======================= Grid point 171 (95/108) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.129 ( -7.675 -0.078 4.074) 8.690 2.198 ( -5.988 2.707 -4.824) 8.152 2.348 ( -10.462 1.936 3.062) 11.072 2.504 ( -3.795 8.198 -1.435) 9.147 2.617 ( -2.175 1.295 2.865) 3.823 2.685 ( -5.976 0.525 -1.580) 6.204 2.961 ( -0.618 3.731 3.283) 5.008 3.051 ( -3.245 -6.091 -1.960) 7.175 3.193 ( -9.091 -2.520 4.813) 10.590 3.281 ( -2.494 -3.821 0.350) 4.576 3.476 ( 0.066 -0.604 -4.932) 4.969 3.565 ( -2.555 -0.025 0.196) 2.563 3.749 ( 0.412 1.011 -0.546) 1.221 3.776 ( -1.560 -2.800 0.692) 3.279 3.837 ( -0.948 4.731 4.973) 6.929 3.920 ( -4.836 4.853 -1.071) 6.934 4.036 ( 1.464 -0.572 2.554) 2.999 4.097 ( -0.676 2.162 5.091) 5.572 4.301 ( 12.932 -2.917 -1.991) 13.406 4.453 ( 10.485 -3.264 -0.933) 11.021 4.573 ( -0.525 -8.768 0.367) 8.791 4.626 ( 3.888 -4.855 0.335) 6.229 4.842 ( 7.856 -2.947 -3.082) 8.939 4.919 ( 5.480 -4.482 -4.776) 8.540 4.998 ( -0.278 4.721 2.258) 5.241 5.096 ( 0.626 3.298 -0.571) 3.405 5.469 ( -1.916 1.393 -0.054) 2.370 5.518 ( 1.734 1.903 3.044) 3.987 5.678 ( 1.788 4.776 1.604) 5.346 5.748 ( -3.803 4.294 0.645) 5.772 5.793 ( -0.244 2.645 -2.470) 3.627 6.009 ( 6.025 0.862 -3.503) 7.023 6.168 ( 0.597 0.982 -1.209) 1.668 6.244 ( -2.590 0.382 4.314) 5.047 6.260 ( 1.098 0.939 -1.932) 2.412 6.322 ( -1.886 -1.059 -0.441) 2.207 6.370 ( -0.532 -4.263 6.398) 7.706 6.556 ( 2.240 5.794 5.071) 8.019 6.643 ( -1.110 0.315 -6.038) 6.147 6.701 ( 3.705 1.557 -4.624) 6.126 7.107 ( -1.001 -2.278 0.882) 2.640 7.199 ( 1.588 -3.388 -0.731) 3.812 7.279 ( 1.712 -3.758 -0.797) 4.206 7.325 ( 3.116 -4.070 0.737) 5.179 7.722 ( -1.213 2.792 2.044) 3.667 7.812 ( 2.256 0.106 0.413) 2.296 8.032 ( -1.886 1.815 2.038) 3.318 8.101 ( -1.959 0.427 -4.252) 4.701 10.864 ( -1.497 -0.813 1.027) 1.990 10.939 ( 1.119 -2.767 0.246) 2.995 11.253 ( -1.152 -2.061 2.835) 3.690 11.376 ( 0.521 -5.054 -3.743) 6.310 11.495 ( -1.229 5.390 2.170) 5.939 11.581 ( -0.401 3.371 -3.631) 4.971 11.847 ( -1.258 0.698 -1.158) 1.847 11.862 ( -1.510 0.496 -2.730) 3.159 12.735 ( -1.111 0.640 1.308) 1.831 12.750 ( -0.430 0.338 0.832) 0.996 13.368 ( -1.988 0.196 2.059) 2.869 13.481 ( 2.353 -2.412 1.267) 3.599 20.431 ( -2.553 -0.340 1.050) 2.782 20.533 ( -3.036 -0.073 0.820) 3.145 20.694 ( -2.844 4.484 -0.666) 5.352 20.873 ( -5.799 3.968 1.202) 7.128 21.089 ( 6.824 -3.775 -0.164) 7.800 21.199 ( 7.029 -3.550 -5.878) 9.826 21.663 ( -6.323 2.594 0.398) 6.846 21.945 ( 4.892 -3.628 -2.230) 6.486 22.690 ( -1.828 0.671 -0.097) 1.950 22.706 ( -1.611 0.460 -1.068) 1.987 23.308 ( -2.597 0.872 1.318) 3.040 23.384 ( -1.393 -0.762 -3.810) 4.128 ======================= Grid point 172 (96/108) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -12.882 6.490 10.754) 17.992 2.047 ( -8.844 9.846 -3.714) 13.746 2.127 ( -8.289 2.815 -3.666) 9.490 2.337 ( -11.375 9.991 -4.455) 15.782 2.539 ( -4.355 -1.632 0.123) 4.652 2.577 ( -5.217 -5.051 -0.410) 7.273 2.881 ( -8.477 -6.164 -0.151) 10.482 2.959 ( -9.613 -2.102 6.840) 11.984 3.057 ( 1.342 1.090 -1.376) 2.210 3.233 ( -5.593 -5.657 4.235) 9.012 3.369 ( -7.532 1.708 -1.885) 7.950 3.460 ( -4.170 -0.774 -1.752) 4.589 3.687 ( -4.918 -0.689 3.017) 5.810 3.751 ( -2.101 3.766 -3.677) 5.667 3.867 ( 0.503 3.867 0.618) 3.948 3.887 ( 3.351 6.372 1.484) 7.351 4.020 ( -0.673 -6.673 6.960) 9.666 4.171 ( 3.900 -1.329 -0.966) 4.232 4.502 ( 5.946 -6.749 1.040) 9.055 4.670 ( 9.953 -4.228 -1.030) 10.863 4.703 ( 13.295 -4.534 0.826) 14.072 4.768 ( 9.138 -0.036 -0.049) 9.139 4.992 ( 6.385 -0.171 -4.160) 7.622 5.013 ( 0.920 1.162 2.642) 3.029 5.066 ( 8.222 -0.602 -0.592) 8.265 5.108 ( 2.068 1.737 -1.540) 3.109 5.423 ( -1.440 6.064 -1.216) 6.350 5.517 ( -4.341 2.751 3.548) 6.245 5.700 ( 2.382 6.381 -1.717) 7.025 5.728 ( 1.364 -0.121 -0.890) 1.633 5.861 ( 6.534 1.363 -1.943) 6.951 6.045 ( -1.636 -2.757 -1.360) 3.482 6.131 ( -5.147 -2.770 2.930) 6.539 6.221 ( -1.340 0.588 -3.486) 3.781 6.270 ( -0.864 -3.168 3.995) 5.171 6.332 ( 2.156 0.017 -0.513) 2.217 6.371 ( 3.095 -2.406 2.539) 4.671 6.562 ( -3.683 -2.636 -4.366) 6.290 6.625 ( 2.069 9.080 6.674) 11.458 6.801 ( 5.059 3.679 -3.646) 7.241 7.107 ( 0.718 -0.990 0.136) 1.231 7.210 ( -0.237 -0.499 -3.168) 3.216 7.350 ( 4.384 -3.569 0.424) 5.669 7.399 ( 4.001 -4.828 1.475) 6.441 7.715 ( 0.724 5.096 2.933) 5.924 7.881 ( 4.515 -0.700 -0.542) 4.601 7.987 ( -2.206 0.909 0.809) 2.519 8.042 ( -3.124 0.972 -3.207) 4.581 10.838 ( -0.934 -0.695 0.546) 1.286 10.961 ( 1.069 -4.516 1.093) 4.768 11.228 ( -1.331 -0.950 1.853) 2.471 11.378 ( -0.279 -4.820 -3.050) 5.710 11.463 ( -1.898 5.623 1.459) 6.112 11.561 ( -1.457 2.924 -3.256) 4.612 11.805 ( -2.740 0.475 -2.365) 3.651 11.814 ( -3.009 0.588 -2.852) 4.187 12.712 ( -0.892 0.685 2.044) 2.333 12.742 ( -0.273 0.126 2.098) 2.120 13.327 ( -2.126 1.023 1.856) 3.002 13.521 ( 1.188 -3.577 2.637) 4.600 20.370 ( -3.280 -1.576 -0.013) 3.639 20.438 ( -5.401 -1.795 3.243) 6.550 20.670 ( -0.174 8.040 -5.585) 9.791 20.777 ( -3.312 5.498 1.843) 6.678 21.230 ( 4.789 -4.807 6.561) 9.439 21.254 ( -1.151 -9.079 -6.054) 10.973 21.597 ( 1.641 8.092 -6.038) 10.229 22.012 ( 1.420 -3.961 -6.842) 8.032 22.654 ( -1.012 0.639 0.135) 1.205 22.665 ( -2.010 0.336 -1.079) 2.306 23.235 ( -4.537 0.891 1.301) 4.803 23.323 ( -4.717 -1.004 -4.909) 6.882 ======================= Grid point 173 (97/108) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -11.592 9.366 13.766) 20.288 1.826 ( -11.182 16.075 8.357) 21.291 2.054 ( -0.722 2.312 -16.040) 16.222 2.096 ( -10.534 10.621 -7.909) 16.921 2.444 ( -6.896 -4.646 2.614) 8.717 2.464 ( -3.200 -4.082 -2.021) 5.567 2.661 ( -10.084 -7.223 1.234) 12.465 2.793 ( -7.616 -3.754 1.671) 8.654 3.003 ( -9.674 0.612 8.889) 13.152 3.069 ( -6.996 3.845 -2.041) 8.240 3.284 ( 0.470 -0.174 5.248) 5.272 3.434 ( 0.749 -0.844 -5.445) 5.560 3.599 ( -3.385 -0.062 3.422) 4.814 3.685 ( -3.160 5.465 -4.869) 7.972 3.898 ( 2.238 0.295 -2.851) 3.637 3.973 ( 3.654 -1.763 2.744) 4.898 4.041 ( 4.209 -1.401 5.790) 7.294 4.250 ( 4.565 -4.535 -3.054) 7.122 4.628 ( 5.962 -4.685 3.376) 8.300 4.807 ( 0.816 -8.353 2.590) 8.783 4.894 ( 4.852 5.602 -0.788) 7.453 4.979 ( 4.814 1.518 2.949) 5.846 5.002 ( 3.250 0.573 -0.583) 3.351 5.158 ( 11.081 1.882 -1.767) 11.378 5.196 ( 5.495 0.185 0.935) 5.577 5.259 ( 9.693 -1.658 -1.841) 10.004 5.344 ( -5.078 4.536 3.244) 7.542 5.505 ( 4.382 2.516 -5.307) 7.328 5.714 ( -0.186 1.578 -3.811) 4.129 5.809 ( 3.222 2.022 -0.452) 3.831 5.927 ( -7.131 -6.510 -2.030) 9.866 6.007 ( -7.127 0.449 3.489) 7.948 6.024 ( 7.508 2.094 1.583) 7.953 6.186 ( -3.238 -5.367 4.692) 7.829 6.236 ( 1.445 -3.970 -3.774) 5.665 6.371 ( -0.962 1.510 2.456) 3.039 6.431 ( 0.255 -1.899 -0.967) 2.146 6.526 ( 3.337 -2.712 -0.221) 4.305 6.664 ( 0.999 9.638 4.732) 10.783 6.882 ( 2.313 3.971 -2.798) 5.380 7.118 ( -0.035 0.052 -1.048) 1.050 7.186 ( -1.952 1.538 -4.907) 5.500 7.441 ( 4.085 -3.490 4.636) 7.096 7.497 ( 5.611 -3.240 -2.123) 6.819 7.748 ( 1.922 7.393 4.921) 9.087 7.915 ( -2.388 0.554 -5.110) 5.668 7.995 ( 1.775 0.176 0.507) 1.854 8.039 ( 5.922 -0.937 -0.510) 6.018 10.833 ( 0.650 -0.684 -0.275) 0.983 10.984 ( 0.956 -6.278 2.149) 6.704 11.199 ( -1.552 0.295 0.856) 1.797 11.362 ( -1.332 -4.463 -2.340) 5.212 11.420 ( -2.209 5.736 0.966) 6.222 11.522 ( -2.240 2.430 -2.626) 4.222 11.734 ( -3.882 0.433 -3.462) 5.220 11.744 ( -3.571 0.351 -2.838) 4.575 12.713 ( 1.361 0.448 2.267) 2.682 12.744 ( 0.468 0.025 3.294) 3.327 13.280 ( -2.427 1.376 1.870) 3.359 13.516 ( -2.105 -4.320 4.095) 6.314 20.303 ( -3.011 -2.579 -0.805) 4.045 20.334 ( -4.461 -1.873 1.765) 5.150 20.663 ( -0.511 5.709 -3.648) 6.794 20.753 ( 1.067 9.487 1.017) 9.601 21.111 ( -7.192 -6.297 -1.833) 9.733 21.379 ( 6.350 -5.923 6.048) 10.582 21.677 ( 3.989 5.654 -10.645) 12.696 21.999 ( -2.124 -2.736 -11.639) 12.144 22.632 ( -0.892 0.510 -1.184) 1.568 22.668 ( 2.267 -0.106 0.492) 2.323 23.125 ( -6.022 0.456 1.354) 6.189 23.178 ( -9.367 -0.553 -4.994) 10.629 ======================= Grid point 174 (98/108) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -4.479 8.222 15.425) 18.044 1.630 ( -7.275 18.001 13.066) 23.402 1.878 ( -8.985 10.728 -6.199) 15.305 2.049 ( -2.991 1.743 -18.327) 18.651 2.321 ( -3.164 -3.872 4.693) 6.857 2.441 ( 0.157 1.701 -3.554) 3.943 2.521 ( -2.811 -7.149 0.739) 7.717 2.642 ( -7.127 -4.423 2.895) 8.874 2.795 ( -7.364 0.971 9.745) 12.253 2.943 ( -4.872 5.958 -6.053) 9.791 3.318 ( 1.282 2.649 8.266) 8.774 3.462 ( 1.655 0.677 -6.028) 6.287 3.553 ( -1.282 -2.654 2.500) 3.865 3.641 ( -0.817 2.714 -7.016) 7.567 3.972 ( 4.980 -4.221 -4.285) 7.809 4.019 ( 1.609 -10.894 3.589) 11.583 4.211 ( 10.611 5.622 2.088) 12.188 4.362 ( 6.375 -2.483 -1.413) 6.986 4.676 ( -4.942 -0.099 0.041) 4.943 4.700 ( -7.652 5.492 2.474) 9.738 4.951 ( 2.723 1.230 1.264) 3.245 5.018 ( 4.161 0.453 4.113) 5.868 5.114 ( 3.778 -1.479 -0.040) 4.058 5.258 ( 1.091 0.450 1.866) 2.208 5.352 ( 4.269 -4.645 4.233) 7.597 5.385 ( 1.509 -2.884 -1.917) 3.778 5.425 ( 10.779 0.761 -2.472) 11.085 5.589 ( 0.998 2.017 -1.523) 2.717 5.677 ( -3.919 -2.961 -1.316) 5.085 5.724 ( -3.815 -4.072 -1.155) 5.698 5.859 ( -4.250 3.540 -0.706) 5.576 5.911 ( -0.961 5.139 -0.138) 5.230 6.134 ( 2.047 -0.708 4.279) 4.796 6.177 ( 4.435 0.824 2.653) 5.233 6.282 ( -0.258 -4.938 0.351) 4.957 6.309 ( 0.117 -2.814 -0.396) 2.844 6.461 ( 0.993 -1.736 0.236) 2.014 6.581 ( -0.192 -1.866 -1.713) 2.540 6.687 ( 2.646 8.772 3.929) 9.969 6.879 ( -2.370 2.366 -1.331) 3.604 7.100 ( -1.584 0.963 -1.521) 2.398 7.140 ( -2.004 3.506 -6.582) 7.723 7.509 ( 2.217 -3.186 6.663) 7.711 7.610 ( 4.691 -2.602 -4.768) 7.177 7.775 ( 0.445 7.986 6.283) 10.171 7.880 ( -0.233 3.775 -6.125) 7.199 8.062 ( 4.434 -0.717 3.228) 5.532 8.176 ( 5.458 -2.200 -3.145) 6.672 10.873 ( 3.396 -1.095 -1.408) 3.836 10.987 ( -1.277 -6.110 2.665) 6.787 11.174 ( -0.357 0.501 0.684) 0.920 11.316 ( -3.158 -3.739 -1.884) 5.244 11.383 ( -0.978 5.155 1.390) 5.428 11.472 ( -2.416 2.343 -2.068) 3.950 11.658 ( -3.108 0.322 -2.981) 4.319 11.671 ( -3.144 0.080 -3.102) 4.418 12.759 ( 1.511 0.001 3.780) 4.071 12.784 ( 4.397 -0.327 0.384) 4.426 13.245 ( -0.073 0.542 2.072) 2.143 13.432 ( -5.804 -3.838 3.790) 7.924 20.253 ( -1.718 -2.707 -0.770) 3.298 20.264 ( -2.157 -2.588 -0.296) 3.382 20.665 ( 1.160 3.577 -1.525) 4.058 20.767 ( -1.790 7.901 2.260) 8.411 21.050 ( 3.448 -1.676 -2.559) 4.610 21.474 ( 1.234 -6.774 6.119) 9.211 21.687 ( -3.300 5.491 -9.444) 11.412 21.950 ( -1.894 -1.848 -13.627) 13.882 22.637 ( 1.593 1.281 -1.145) 2.343 22.730 ( 2.495 -0.217 -0.285) 2.521 22.954 ( -9.933 0.508 -2.285) 10.205 22.998 ( -6.437 -0.277 1.551) 6.627 ======================= Grid point 175 (99/108) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 1.034 8.077 11.376) 13.990 1.752 ( -2.233 -2.016 1.110) 3.207 1.900 ( -5.067 10.645 15.377) 19.376 2.064 ( -1.875 -1.636 4.038) 4.743 2.317 ( -0.835 8.047 0.968) 8.148 2.418 ( 2.761 -0.692 -11.185) 11.542 2.432 ( -3.312 0.060 -1.263) 3.545 2.551 ( 5.538 -5.351 -10.784) 13.252 2.860 ( 0.619 11.965 10.198) 15.734 3.059 ( 0.254 9.849 -4.307) 10.753 3.187 ( -0.830 -12.313 8.206) 14.820 3.377 ( -0.254 -12.579 -6.672) 14.241 3.588 ( 0.117 5.364 2.845) 6.073 3.707 ( -0.092 -2.733 0.776) 2.842 3.791 ( 0.957 -0.066 -4.703) 4.800 3.914 ( 2.654 -7.892 -8.837) 12.142 4.506 ( 3.549 4.447 2.017) 6.037 4.526 ( -2.154 2.639 0.409) 3.431 4.676 ( -4.672 5.360 -0.975) 7.177 4.691 ( 5.068 4.773 -1.981) 7.238 5.008 ( 0.012 0.115 6.853) 6.854 5.057 ( -4.150 -4.676 6.601) 9.092 5.110 ( 4.903 -2.843 -1.962) 5.997 5.141 ( 0.321 -6.948 -0.407) 6.968 5.234 ( -3.276 0.831 1.732) 3.798 5.280 ( 0.408 -2.728 -1.028) 2.944 5.558 ( 0.548 0.548 0.918) 1.202 5.581 ( 2.254 -1.746 0.074) 2.852 5.650 ( -4.179 1.586 4.320) 6.216 5.670 ( -2.369 -0.427 2.121) 3.208 5.923 ( -3.058 6.029 1.595) 6.946 6.007 ( 1.144 2.870 -5.183) 6.034 6.071 ( -1.017 -1.942 2.990) 3.707 6.186 ( 3.241 -7.613 -5.501) 9.936 6.290 ( 1.314 1.401 0.136) 1.925 6.304 ( -0.368 0.390 -0.769) 0.938 6.483 ( 1.539 2.141 3.247) 4.182 6.529 ( -0.130 -2.049 -0.749) 2.185 6.824 ( 0.417 1.520 1.683) 2.306 6.838 ( -0.787 0.049 -0.260) 0.830 7.137 ( -1.130 4.799 0.999) 5.030 7.190 ( -0.474 1.113 -3.002) 3.237 7.509 ( 1.058 1.208 0.342) 1.642 7.584 ( 1.599 -4.993 -5.904) 7.895 7.923 ( -2.188 7.612 6.410) 10.189 8.023 ( 0.735 2.214 -0.789) 2.462 8.075 ( -0.366 -0.046 2.438) 2.466 8.164 ( 0.574 -4.189 -3.619) 5.565 10.891 ( -0.661 -0.496 0.829) 1.171 10.911 ( 2.416 -2.292 -1.078) 3.500 11.181 ( 0.264 0.098 0.454) 0.534 11.198 ( -1.691 -1.549 -0.979) 2.493 11.448 ( -0.159 2.153 0.809) 2.305 11.465 ( -0.809 0.504 -0.817) 1.256 11.622 ( -0.678 0.371 -1.539) 1.722 11.628 ( -0.500 -0.206 -2.141) 2.208 12.799 ( 0.876 1.319 2.263) 2.762 12.831 ( 1.468 -1.627 -0.628) 2.279 13.267 ( 0.777 -1.007 1.482) 1.953 13.277 ( 0.060 -1.895 0.475) 1.954 20.196 ( 0.208 -1.017 -0.947) 1.405 20.201 ( 0.871 -1.413 -1.443) 2.200 20.758 ( -2.806 2.112 0.119) 3.514 20.768 ( 2.045 1.124 -0.830) 2.477 21.252 ( 5.867 2.829 5.984) 8.845 21.312 ( -2.456 -2.367 2.641) 4.313 21.709 ( -4.913 5.031 -3.869) 8.026 21.813 ( -5.392 -4.765 -11.097) 13.226 22.725 ( -3.947 2.404 1.668) 4.914 22.739 ( 1.162 1.255 0.532) 1.791 22.870 ( -1.339 -0.479 -0.317) 1.457 22.885 ( 3.652 -1.758 -1.599) 4.357 ======================= Grid point 176 (100/108) ======================= q-point: ( 0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 6.954 7.028 11.993) 15.543 1.812 ( 5.869 5.409 6.251) 10.138 1.825 ( -0.345 4.120 13.947) 14.547 2.050 ( 0.474 -7.858 6.236) 10.043 2.327 ( 2.416 11.476 4.843) 12.688 2.419 ( 3.122 0.592 -3.648) 4.838 2.483 ( 3.633 6.321 -11.976) 14.021 2.692 ( 8.251 -8.709 -11.758) 16.798 2.929 ( 5.658 9.645 7.023) 13.204 3.093 ( 2.123 6.861 -2.780) 7.701 3.185 ( 0.959 -10.204 6.582) 12.181 3.344 ( -3.057 -11.858 -4.732) 13.128 3.590 ( 0.014 4.879 2.467) 5.467 3.709 ( 0.219 -6.757 5.289) 8.583 3.831 ( 3.262 5.155 -10.623) 12.250 3.961 ( 1.797 -7.535 -9.343) 12.136 4.376 ( -8.667 5.909 -1.746) 10.634 4.397 ( -8.891 4.059 -0.939) 9.819 4.666 ( -1.022 -0.062 0.316) 1.071 4.740 ( -2.220 -6.474 -1.717) 7.056 4.949 ( -3.042 4.026 5.862) 7.734 5.038 ( -0.422 0.173 6.780) 6.795 5.176 ( -1.336 1.444 -1.796) 2.664 5.176 ( 0.348 -2.858 4.322) 5.193 5.256 ( 2.535 2.034 1.230) 3.475 5.327 ( 4.377 -2.792 -2.138) 5.614 5.480 ( -5.186 2.561 1.698) 6.028 5.541 ( -4.672 2.431 3.500) 6.323 5.569 ( -2.865 -5.131 3.719) 6.955 5.609 ( -0.614 -3.954 0.479) 4.030 5.896 ( -0.397 4.316 2.060) 4.799 6.006 ( -1.058 -6.289 4.218) 7.646 6.091 ( 0.280 5.821 -3.856) 6.988 6.184 ( -3.798 -2.563 -3.164) 5.568 6.258 ( -1.920 0.457 -1.031) 2.227 6.292 ( 2.476 -3.583 -3.470) 5.569 6.514 ( -0.277 1.215 -0.175) 1.258 6.535 ( -0.116 -0.821 -0.777) 1.136 6.835 ( 1.729 3.728 1.071) 4.247 6.879 ( 2.212 -0.834 0.615) 2.443 7.124 ( -0.192 4.574 2.554) 5.242 7.187 ( 0.114 -0.040 -0.981) 0.988 7.507 ( -1.703 2.220 -2.408) 3.692 7.586 ( -1.766 -4.436 -7.219) 8.655 7.860 ( -3.144 6.292 6.371) 9.490 7.976 ( -5.011 -4.984 5.549) 8.986 8.040 ( -2.035 6.074 -3.616) 7.356 8.127 ( -3.544 -2.414 -2.054) 4.755 10.868 ( -1.148 1.965 -0.656) 2.369 10.935 ( -0.074 -4.708 -2.186) 5.192 11.187 ( 0.770 0.506 0.377) 0.995 11.210 ( 1.780 -1.904 1.256) 2.893 11.460 ( 1.187 1.526 1.218) 2.285 11.469 ( 1.172 0.754 0.290) 1.423 11.641 ( 2.445 0.745 -0.491) 2.603 11.652 ( 2.638 -0.261 -0.990) 2.830 12.792 ( -1.237 1.745 -0.041) 2.139 12.827 ( -1.160 -1.544 -2.338) 3.032 13.283 ( 2.228 1.995 0.620) 3.054 13.361 ( 4.784 -5.997 0.387) 7.681 20.232 ( 3.335 -0.056 -2.262) 4.030 20.250 ( 3.950 -1.698 -2.708) 5.081 20.724 ( -0.735 5.550 1.495) 5.795 20.829 ( 3.303 -4.390 1.016) 5.587 21.179 ( -6.738 11.887 -2.944) 13.977 21.371 ( 2.934 -6.277 2.237) 7.280 21.621 ( -3.999 2.545 6.540) 8.078 21.700 ( -3.927 -4.165 -0.778) 5.777 22.648 ( -2.398 2.556 1.628) 3.864 22.695 ( -2.960 -1.784 1.380) 3.721 22.966 ( 7.647 2.157 -0.670) 7.973 23.011 ( 7.128 -2.129 -1.748) 7.642 ======================= Grid point 177 (101/108) ======================= q-point: ( 0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 1.366 10.189 15.678) 18.748 1.907 ( 8.971 3.230 11.561) 14.985 2.044 ( 12.310 -1.169 5.765) 13.643 2.096 ( 5.155 -7.039 5.590) 10.363 2.437 ( 8.021 11.017 1.069) 13.670 2.556 ( 7.590 1.159 -4.529) 8.914 2.580 ( 8.005 9.445 -9.146) 15.392 2.873 ( 9.109 -11.045 -9.766) 17.330 3.069 ( 6.619 6.786 4.831) 10.640 3.118 ( 0.333 2.255 -0.513) 2.337 3.236 ( 1.275 -5.591 -1.032) 5.827 3.264 ( -0.486 -7.439 1.550) 7.615 3.603 ( 1.409 3.999 3.698) 5.627 3.729 ( 1.689 -7.691 5.357) 9.524 3.896 ( 1.943 3.317 -8.629) 9.447 3.982 ( 0.626 -5.790 -8.176) 10.038 4.229 ( -4.787 6.892 -3.536) 9.106 4.261 ( -3.297 3.488 -2.858) 5.586 4.581 ( -6.468 -2.124 -1.041) 6.887 4.662 ( -5.233 -8.261 -0.773) 9.809 4.839 ( -9.052 3.395 9.010) 13.215 4.927 ( -11.173 -4.579 6.081) 13.520 5.058 ( -8.164 2.267 4.356) 9.527 5.086 ( -6.176 -0.198 2.081) 6.520 5.287 ( -3.384 3.074 -3.000) 5.468 5.308 ( -5.887 0.836 -4.499) 7.456 5.431 ( 1.642 6.941 5.778) 9.180 5.520 ( 4.360 2.999 1.596) 5.527 5.605 ( 4.999 -3.356 0.782) 6.072 5.688 ( 5.277 -6.598 0.624) 8.471 5.874 ( -2.519 2.524 1.947) 4.063 5.953 ( -2.654 -5.475 4.549) 7.597 6.079 ( -2.344 1.611 -3.031) 4.156 6.120 ( 2.348 -1.524 -0.665) 2.877 6.291 ( 3.663 1.232 -3.838) 5.447 6.353 ( 2.208 -3.417 -0.598) 4.113 6.469 ( -3.515 1.551 -2.444) 4.553 6.497 ( -3.102 -1.324 -2.074) 3.960 6.861 ( -0.084 3.845 1.306) 4.062 6.885 ( -2.091 1.181 1.648) 2.913 7.124 ( -0.231 3.045 2.562) 3.986 7.187 ( -0.340 -1.504 0.635) 1.667 7.428 ( -5.503 2.603 -3.683) 7.115 7.501 ( -5.675 -3.770 -6.412) 9.355 7.820 ( -1.354 2.636 5.021) 5.830 7.875 ( -4.127 -2.266 4.581) 6.569 8.010 ( -0.276 3.688 -2.876) 4.685 8.058 ( -2.000 -0.886 -1.845) 2.861 10.856 ( 0.026 2.200 -1.212) 2.512 10.923 ( -0.722 -4.396 -1.808) 4.808 11.211 ( 1.273 0.453 0.452) 1.425 11.241 ( 1.003 -2.458 1.296) 2.954 11.496 ( 2.173 1.551 1.079) 2.880 11.506 ( 2.192 0.660 0.811) 2.429 11.710 ( 3.938 0.989 0.092) 4.061 11.723 ( 3.949 -0.208 -0.405) 3.975 12.769 ( -0.668 1.756 -1.271) 2.268 12.803 ( -0.979 -1.314 -2.541) 3.024 13.334 ( 2.275 3.036 0.819) 3.881 13.431 ( 1.675 -6.583 0.889) 6.851 20.328 ( 5.706 1.003 -4.214) 7.164 20.356 ( 6.200 -1.694 -4.244) 7.702 20.715 ( -0.498 7.825 4.587) 9.084 20.870 ( 0.323 -6.885 5.130) 8.592 21.092 ( -1.447 13.216 -7.117) 15.080 21.351 ( -4.344 -11.436 -7.560) 14.381 21.569 ( -0.453 6.135 10.653) 12.301 21.683 ( 1.717 -4.800 10.231) 11.431 22.627 ( 0.152 1.448 1.100) 1.824 22.656 ( -0.702 -1.221 0.618) 1.538 23.125 ( 7.226 1.395 0.494) 7.376 23.153 ( 6.409 -1.313 -1.267) 6.663 ======================= Grid point 178 (102/108) ======================= q-point: ( 0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 6.464 7.500 10.923) 14.743 2.056 ( 5.654 -8.478 8.391) 13.201 2.259 ( 10.494 4.855 2.655) 11.864 2.318 ( 12.142 0.245 9.231) 15.254 2.601 ( 5.316 7.296 -4.957) 10.299 2.690 ( 7.942 8.649 0.418) 11.749 2.794 ( 9.430 0.222 -7.376) 11.974 3.032 ( 5.697 -12.712 -3.192) 14.291 3.112 ( 1.325 3.603 -0.792) 3.920 3.155 ( 3.124 1.119 -4.126) 5.295 3.281 ( 6.051 1.350 3.317) 7.031 3.383 ( 7.230 -5.513 0.898) 9.136 3.648 ( 2.683 2.284 3.699) 5.109 3.770 ( 1.588 -8.023 3.893) 9.058 3.904 ( 0.559 3.131 -4.930) 5.867 3.980 ( -0.512 -3.609 -4.650) 5.908 4.177 ( -1.079 9.761 -3.734) 10.506 4.257 ( 0.937 2.871 -4.009) 5.019 4.401 ( -10.917 -2.218 0.743) 11.165 4.509 ( -9.959 -8.842 0.787) 13.341 4.609 ( -11.620 1.054 7.198) 13.710 4.666 ( -10.803 -3.496 6.594) 13.130 4.901 ( -7.314 1.817 1.677) 7.721 4.952 ( -7.356 -3.280 -0.082) 8.055 5.182 ( -4.121 3.349 -2.211) 5.752 5.209 ( -3.319 0.996 -3.909) 5.224 5.484 ( 2.043 5.332 1.966) 6.039 5.582 ( 0.297 -3.993 3.729) 5.472 5.674 ( -0.593 2.207 -1.979) 3.023 5.740 ( 0.791 -3.133 0.358) 3.251 5.842 ( 2.484 6.311 2.730) 7.311 5.985 ( 4.365 -7.345 4.733) 9.768 6.063 ( 1.431 7.441 -0.190) 7.580 6.222 ( 4.417 -6.471 -2.128) 8.119 6.320 ( -4.220 1.477 -1.102) 4.605 6.355 ( 0.454 -2.193 -1.754) 2.845 6.402 ( -0.659 3.596 -2.789) 4.599 6.478 ( 2.052 -2.920 -1.883) 4.036 6.795 ( -6.279 3.531 3.051) 7.823 6.821 ( -3.630 1.617 1.117) 4.128 7.103 ( -1.754 2.007 1.631) 3.125 7.169 ( -1.481 -3.089 1.069) 3.588 7.311 ( -5.077 1.982 -3.737) 6.608 7.383 ( -5.383 -4.607 -5.493) 8.965 7.786 ( -1.520 1.602 2.707) 3.494 7.819 ( -1.710 -1.477 3.120) 3.852 8.033 ( 2.232 2.503 -1.426) 3.644 8.058 ( 1.473 0.044 -1.651) 2.213 10.864 ( 0.683 1.440 -1.005) 1.885 10.910 ( -0.557 -2.934 -0.741) 3.077 11.233 ( 0.822 -0.430 0.488) 1.048 11.254 ( 0.373 -2.334 0.456) 2.408 11.542 ( 2.113 1.831 1.417) 3.135 11.554 ( 2.350 0.767 -0.144) 2.477 11.789 ( 3.475 0.994 -0.017) 3.615 11.801 ( 3.427 -0.156 -0.572) 3.478 12.764 ( 0.052 1.351 -1.094) 1.739 12.787 ( -0.496 -0.781 -1.800) 2.024 13.370 ( 1.196 2.150 0.916) 2.626 13.438 ( -0.625 -4.612 1.633) 4.933 20.447 ( 5.600 2.000 -5.509) 8.106 20.483 ( 5.494 -1.341 -4.510) 7.234 20.710 ( 0.399 7.706 5.547) 9.503 20.867 ( -0.519 -6.339 6.603) 9.168 21.063 ( -2.016 7.732 -4.939) 9.394 21.246 ( -5.017 -8.572 -7.488) 12.439 21.604 ( 3.338 6.845 7.687) 10.821 21.738 ( 2.572 -6.215 8.772) 11.054 22.649 ( 1.839 0.898 0.967) 2.264 22.665 ( 1.439 -0.524 0.267) 1.554 23.252 ( 5.013 0.762 0.866) 5.144 23.268 ( 4.666 -0.723 -0.984) 4.823 ======================= Grid point 179 (103/108) ======================= q-point: ( 0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 8.030 4.103 5.555) 10.591 2.165 ( 4.545 -7.351 2.982) 9.143 2.426 ( 4.891 4.063 2.100) 6.696 2.532 ( 5.981 -4.187 6.683) 9.897 2.647 ( 2.491 10.843 0.123) 11.126 2.835 ( 5.038 -5.998 5.372) 9.498 2.941 ( 5.005 10.794 -5.953) 13.304 3.124 ( 2.825 -5.981 -2.507) 7.074 3.180 ( 5.694 5.231 -4.123) 8.763 3.284 ( 7.284 -4.969 -4.824) 10.050 3.384 ( 3.445 4.288 2.081) 5.881 3.494 ( 1.852 -5.695 0.925) 6.059 3.711 ( 3.392 1.069 2.370) 4.274 3.783 ( -0.053 -2.990 0.729) 3.078 3.932 ( 0.407 -0.020 0.344) 0.533 3.977 ( 0.156 -1.394 -1.385) 1.971 4.119 ( -8.427 7.195 3.888) 11.743 4.181 ( -0.992 1.658 -0.671) 2.045 4.239 ( -4.346 0.031 0.161) 4.349 4.322 ( -6.212 -5.170 3.350) 8.748 4.441 ( -5.496 0.043 1.097) 5.605 4.514 ( -4.893 -7.012 0.195) 8.553 4.769 ( -4.663 -0.194 -1.215) 4.823 4.799 ( -6.524 -3.148 -1.374) 7.373 5.131 ( -1.072 3.420 -1.539) 3.901 5.162 ( -1.799 0.374 -2.171) 2.844 5.496 ( -0.575 2.132 0.199) 2.217 5.537 ( -3.057 -2.017 0.609) 3.713 5.709 ( 4.724 2.255 -0.402) 5.250 5.754 ( 1.794 -1.101 1.683) 2.695 5.925 ( 2.579 6.418 2.304) 7.290 6.022 ( -2.530 0.926 2.006) 3.359 6.112 ( 2.627 0.497 1.420) 3.028 6.202 ( -2.886 -3.421 2.232) 5.001 6.261 ( -0.434 3.369 -2.788) 4.395 6.370 ( 0.766 -5.425 -4.065) 6.822 6.475 ( 5.722 4.310 -1.962) 7.427 6.541 ( 3.673 -1.307 0.111) 3.901 6.650 ( -7.318 5.085 3.796) 9.686 6.731 ( -4.651 -1.817 0.902) 5.074 7.067 ( -1.340 0.974 1.388) 2.161 7.127 ( -2.458 -3.838 0.723) 4.615 7.234 ( -2.297 0.143 -3.419) 4.121 7.283 ( -4.057 -4.539 -4.522) 7.584 7.773 ( 0.073 1.310 1.608) 2.075 7.795 ( -0.825 -0.678 1.614) 1.936 8.079 ( 1.777 1.835 0.020) 2.554 8.096 ( 1.820 0.079 -1.846) 2.594 10.878 ( 0.561 0.298 -0.197) 0.666 10.897 ( -0.703 -1.512 0.378) 1.710 11.243 ( 0.148 -0.677 1.257) 1.435 11.263 ( 0.607 -2.496 -1.455) 2.952 11.579 ( 1.318 2.429 1.182) 3.005 11.597 ( 1.742 0.692 -1.194) 2.222 11.847 ( 2.085 0.890 -0.445) 2.310 11.858 ( 1.984 -0.114 -1.144) 2.293 12.766 ( 0.041 0.906 -0.293) 0.953 12.779 ( -0.396 -0.232 -0.768) 0.894 13.389 ( 0.762 0.607 0.858) 1.298 13.418 ( -1.120 -2.312 1.761) 3.115 20.543 ( 2.578 2.205 -2.004) 3.940 20.547 ( 1.372 2.094 -1.198) 2.775 20.759 ( 4.412 1.246 -1.703) 4.891 20.838 ( -2.505 -5.980 5.459) 8.476 21.035 ( 0.203 6.655 -3.000) 7.303 21.147 ( -4.502 -4.014 -3.151) 6.805 21.689 ( 4.389 3.017 3.398) 6.317 21.771 ( 0.402 -4.751 5.228) 7.075 22.693 ( 2.107 0.746 0.797) 2.373 22.704 ( 1.933 -0.179 0.112) 1.945 23.329 ( 2.501 0.678 0.640) 2.669 23.343 ( 2.645 -0.595 -1.196) 2.963 ======================= Grid point 180 (104/108) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 3.792 1.450 1.703) 4.403 2.220 ( 0.527 -2.579 -2.532) 3.653 2.470 ( -0.871 0.385 4.972) 5.063 2.529 ( -1.847 -4.744 0.228) 5.096 2.758 ( 4.328 9.710 7.048) 12.756 2.884 ( -1.193 -0.562 -1.668) 2.126 2.996 ( 1.313 6.180 3.709) 7.326 3.112 ( -3.954 -1.801 -4.336) 6.138 3.255 ( -2.665 1.731 2.026) 3.768 3.335 ( -2.349 -3.715 -3.853) 5.845 3.456 ( -1.665 0.833 0.315) 1.888 3.489 ( 5.081 -2.298 -1.770) 5.851 3.761 ( -1.408 1.275 1.349) 2.330 3.769 ( 0.938 0.518 0.360) 1.130 3.915 ( -2.621 -1.090 2.226) 3.608 3.944 ( 2.609 -4.229 -0.511) 4.996 4.086 ( 2.658 5.883 5.638) 8.571 4.165 ( -1.554 4.457 0.829) 4.792 4.216 ( -4.894 -0.196 3.245) 5.875 4.263 ( 5.119 -2.738 1.689) 6.046 4.379 ( 0.731 -3.640 0.181) 3.717 4.437 ( -1.590 -7.551 -4.907) 9.145 4.719 ( -0.094 -0.729 -1.514) 1.684 4.747 ( 2.018 -3.268 -3.938) 5.501 5.113 ( -1.548 2.569 0.687) 3.077 5.131 ( -0.557 0.821 -0.833) 1.295 5.483 ( -0.032 1.642 0.135) 1.648 5.513 ( 1.011 -0.880 -2.423) 2.769 5.776 ( -1.775 3.190 3.861) 5.314 5.812 ( 2.177 -0.170 0.738) 2.305 5.929 ( -0.384 4.389 0.548) 4.439 5.962 ( 1.180 3.499 -2.940) 4.720 6.153 ( 1.744 -2.348 2.064) 3.580 6.188 ( -0.058 -3.729 2.651) 4.576 6.271 ( 0.487 3.990 -1.275) 4.217 6.353 ( -2.267 -2.765 -4.451) 5.709 6.506 ( -5.947 7.306 5.457) 10.887 6.590 ( 4.151 3.324 -0.891) 5.392 6.628 ( 4.552 0.954 0.064) 4.651 6.649 ( -2.623 -5.134 -0.462) 5.784 7.064 ( 1.175 -1.662 1.676) 2.637 7.081 ( -1.476 -2.839 0.510) 3.240 7.212 ( 0.140 -1.937 -2.351) 3.050 7.223 ( -1.465 -3.117 -3.250) 4.735 7.778 ( -0.148 0.993 1.370) 1.699 7.787 ( 0.405 0.140 0.738) 0.854 8.096 ( -0.140 1.784 0.359) 1.825 8.118 ( 0.211 -0.380 -1.967) 2.014 10.878 ( -0.978 -0.387 1.364) 1.722 10.886 ( -0.029 -1.114 0.752) 1.345 11.244 ( -0.070 0.040 0.797) 0.801 11.276 ( 0.670 -3.104 -2.146) 3.833 11.595 ( 0.219 3.019 0.454) 3.061 11.621 ( 0.619 0.485 -2.007) 2.155 11.872 ( 0.370 0.751 -0.950) 1.266 11.881 ( 0.266 -0.047 -1.778) 1.798 12.763 ( -0.368 0.603 0.665) 0.970 12.769 ( -0.614 0.113 0.144) 0.640 13.397 ( -0.834 -0.308 1.623) 1.850 13.406 ( 0.839 -1.095 0.834) 1.612 20.517 ( -2.685 3.184 4.229) 5.936 20.571 ( -1.510 -1.138 1.053) 2.164 20.798 ( -0.048 2.025 -1.501) 2.521 20.868 ( 5.489 -4.081 -6.026) 9.116 21.055 ( -2.844 1.707 -0.104) 3.318 21.069 ( 0.977 0.633 -1.387) 1.811 21.761 ( -1.011 -0.535 2.362) 2.625 21.776 ( 3.762 -1.944 0.864) 4.322 22.721 ( 0.306 0.671 0.396) 0.836 22.729 ( 0.235 -0.026 -0.299) 0.381 23.356 ( 0.059 1.003 0.147) 1.016 23.375 ( 0.525 -0.885 -1.656) 1.950 ======================= Grid point 181 (105/108) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( -3.644 2.958 -3.680) 5.964 2.220 ( -0.864 -1.861 -3.017) 3.649 2.374 ( -7.751 4.278 5.281) 10.308 2.510 ( -2.095 -7.786 5.483) 9.750 2.760 ( -4.886 11.934 0.836) 12.922 2.795 ( -6.314 6.617 -0.482) 9.159 2.964 ( -8.585 -2.688 -3.762) 9.751 3.004 ( -2.299 -2.335 5.044) 6.015 3.142 ( -6.562 -0.223 1.543) 6.744 3.198 ( -6.458 -3.887 3.085) 8.144 3.457 ( -1.533 -0.237 -4.276) 4.549 3.505 ( -3.314 -4.635 -0.399) 5.712 3.745 ( -0.277 1.260 -0.251) 1.314 3.776 ( 1.098 -0.171 0.963) 1.470 3.926 ( -0.414 0.945 2.389) 2.602 3.933 ( -4.298 -0.465 1.357) 4.531 4.105 ( -1.647 5.094 3.974) 6.667 4.185 ( 3.202 7.796 -0.428) 8.438 4.209 ( 6.988 -5.187 1.596) 8.848 4.359 ( 3.471 -7.785 0.916) 8.573 4.459 ( 8.359 -0.212 -0.171) 8.364 4.521 ( 8.647 -5.160 -1.080) 10.127 4.803 ( 7.837 -0.283 -3.697) 8.670 4.835 ( 6.306 -3.265 -4.363) 8.335 5.086 ( -0.449 3.448 2.299) 4.168 5.125 ( -0.259 -0.342 1.341) 1.408 5.508 ( 1.996 3.087 -1.228) 3.876 5.562 ( 3.403 -0.421 -0.953) 3.559 5.706 ( -3.106 1.954 -0.315) 3.683 5.778 ( -2.245 -3.465 -0.158) 4.132 5.931 ( -1.254 11.000 1.566) 11.181 6.074 ( 6.032 1.722 -2.626) 6.801 6.150 ( -3.611 -1.859 -0.765) 4.133 6.192 ( 1.373 -4.499 0.656) 4.749 6.273 ( 0.017 -1.041 2.343) 2.564 6.295 ( -2.196 -1.554 -2.943) 3.987 6.394 ( -4.922 8.194 3.929) 10.335 6.559 ( -4.142 -6.323 -1.447) 7.696 6.703 ( 4.859 4.725 3.386) 7.576 6.738 ( 5.804 1.241 -1.649) 6.160 7.072 ( 0.936 -0.184 0.835) 1.268 7.119 ( 3.440 -4.122 1.326) 5.530 7.221 ( 1.614 -1.246 -1.988) 2.848 7.242 ( 2.478 -3.213 -1.383) 4.287 7.776 ( 0.358 2.290 0.973) 2.513 7.807 ( 1.492 -0.784 0.612) 1.793 8.073 ( -2.087 1.927 0.219) 2.849 8.100 ( -1.915 -0.676 -1.870) 2.761 10.855 ( -1.207 0.264 1.743) 2.136 10.882 ( -0.377 -2.411 1.742) 2.998 11.242 ( -0.157 0.913 0.101) 0.932 11.287 ( 0.401 -3.539 -2.212) 4.193 11.588 ( -0.914 3.402 -0.414) 3.547 11.620 ( -0.680 0.245 -2.562) 2.662 11.861 ( -1.389 0.635 -1.562) 2.185 11.868 ( -1.455 0.018 -2.208) 2.644 12.749 ( -0.976 0.622 1.412) 1.826 12.755 ( -0.703 0.035 1.241) 1.427 13.382 ( -0.712 1.370 1.464) 2.128 13.425 ( 0.898 -2.781 1.094) 3.121 20.448 ( -3.949 1.949 3.649) 5.719 20.498 ( -4.793 -2.678 4.251) 6.944 20.826 ( 2.178 7.860 -6.157) 10.219 20.976 ( -2.999 3.607 -1.170) 4.835 20.981 ( 4.691 -4.472 -2.115) 6.818 21.101 ( 0.519 -5.947 -0.477) 5.988 21.741 ( -0.373 5.011 -1.102) 5.144 21.850 ( 3.231 -5.510 -2.004) 6.695 22.705 ( -1.708 0.675 -0.093) 1.839 22.712 ( -1.722 0.000 -0.701) 1.859 23.332 ( -2.308 1.453 -0.307) 2.744 23.362 ( -1.836 -1.384 -2.280) 3.238 ======================= Grid point 182 (106/108) ======================= q-point: (-0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( -4.965 7.993 -0.386) 9.417 2.174 ( -6.070 -0.231 -1.809) 6.338 2.190 ( -5.597 6.021 0.649) 8.247 2.389 ( -9.732 -10.828 5.781) 15.664 2.603 ( -8.560 11.781 -5.780) 15.668 2.634 ( -9.475 11.774 4.994) 15.917 2.756 ( -10.319 -5.555 -2.999) 12.097 2.883 ( -9.191 -8.051 6.428) 13.806 3.085 ( 1.081 0.600 2.097) 2.434 3.115 ( -2.839 -4.175 1.594) 5.295 3.365 ( -6.385 -0.003 -3.480) 7.271 3.407 ( -4.965 -3.806 -1.985) 6.564 3.721 ( -2.585 4.011 -0.243) 4.779 3.815 ( 1.539 1.234 -1.413) 2.427 3.845 ( -4.013 -5.261 2.012) 6.916 3.882 ( -0.646 -2.394 1.779) 3.052 4.109 ( 0.236 10.120 2.232) 10.366 4.185 ( -0.578 2.233 1.816) 2.936 4.387 ( 7.775 -3.227 1.928) 8.636 4.480 ( 7.682 -10.567 2.846) 13.370 4.695 ( 13.154 1.316 -0.538) 13.231 4.738 ( 12.009 -2.489 -0.212) 12.266 4.984 ( 8.952 0.175 -4.737) 10.130 5.000 ( 8.639 -1.306 -4.128) 9.663 5.111 ( 3.036 2.659 4.601) 6.120 5.135 ( 1.972 0.308 2.286) 3.035 5.538 ( 0.982 5.708 -2.873) 6.466 5.621 ( -0.716 6.028 2.527) 6.575 5.665 ( -0.293 -4.533 -3.384) 5.664 5.767 ( 0.090 -5.610 -1.882) 5.918 5.886 ( -0.577 8.317 -0.913) 8.387 6.048 ( -5.396 -3.797 -1.354) 6.736 6.123 ( -0.759 1.274 -3.722) 4.007 6.150 ( -4.634 -2.723 1.838) 5.680 6.286 ( -2.309 3.417 3.094) 5.155 6.321 ( 3.902 -1.176 0.253) 4.083 6.345 ( 3.241 1.698 0.675) 3.721 6.464 ( -4.965 -6.899 -0.087) 8.500 6.797 ( 3.884 6.422 4.747) 8.881 6.856 ( 5.160 0.589 -0.974) 5.284 7.111 ( 2.568 2.467 0.168) 3.565 7.186 ( 2.514 -2.896 -0.778) 3.913 7.284 ( 4.387 -1.343 0.580) 4.624 7.313 ( 4.396 -3.445 -1.347) 5.745 7.804 ( 2.510 3.523 1.012) 4.443 7.856 ( 3.536 -1.833 -0.084) 3.983 8.019 ( -2.849 1.905 -0.031) 3.427 8.047 ( -2.828 -0.643 -1.102) 3.102 10.833 ( -0.800 0.653 1.698) 1.987 10.874 ( -0.311 -3.487 2.344) 4.214 11.236 ( -0.438 1.601 -0.351) 1.696 11.290 ( -0.145 -3.720 -2.042) 4.246 11.559 ( -1.851 3.480 -1.144) 4.105 11.593 ( -1.829 0.044 -2.761) 3.312 11.816 ( -2.921 0.519 -2.291) 3.749 11.821 ( -2.999 0.064 -2.437) 3.865 12.729 ( -0.817 0.856 2.216) 2.512 12.741 ( -0.552 -0.321 2.360) 2.444 13.364 ( -1.251 2.731 1.454) 3.337 13.436 ( -0.040 -4.333 1.646) 4.636 20.361 ( -4.399 0.781 2.333) 5.041 20.394 ( -5.192 -2.224 3.462) 6.624 20.854 ( -0.868 9.809 -6.847) 11.994 20.922 ( 0.103 8.215 2.144) 8.490 21.061 ( -2.521 -9.557 -4.322) 10.788 21.102 ( 4.462 -7.958 4.512) 10.179 21.757 ( 1.993 7.806 -6.254) 10.199 21.903 ( 1.897 -6.613 -6.596) 9.530 22.667 ( -1.502 0.486 -0.193) 1.591 22.671 ( -1.889 0.093 -0.640) 1.997 23.260 ( -4.689 1.624 -0.548) 4.992 23.295 ( -4.753 -1.686 -2.893) 5.815 ======================= Grid point 183 (107/108) ======================= q-point: (-0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -11.391 13.237 10.274) 20.262 2.095 ( -6.386 1.321 -0.950) 6.590 2.111 ( -1.623 4.698 -1.679) 5.247 2.172 ( -8.428 -6.409 -2.470) 10.872 2.427 ( -7.781 5.726 -0.556) 9.677 2.457 ( -6.260 6.624 1.793) 9.289 2.570 ( -7.119 -1.769 -5.231) 9.010 2.693 ( -8.905 -7.326 2.954) 11.904 3.023 ( -5.558 3.740 7.638) 10.159 3.134 ( 1.045 -1.736 1.907) 2.783 3.231 ( -4.831 -0.310 -2.688) 5.537 3.348 ( -0.618 -7.223 -5.369) 9.021 3.654 ( -3.341 5.141 4.125) 7.390 3.786 ( -2.844 -3.841 2.390) 5.344 3.799 ( -1.610 0.190 -1.700) 2.349 3.881 ( -0.549 -3.519 -4.194) 5.502 4.164 ( 6.115 7.125 2.511) 9.719 4.222 ( 4.984 0.933 0.560) 5.102 4.543 ( 7.355 -2.589 2.391) 8.156 4.609 ( 4.865 -9.052 3.113) 10.737 4.945 ( 9.095 1.759 -0.484) 9.276 4.981 ( 10.560 -1.335 1.673) 10.775 5.081 ( 0.633 4.219 3.464) 5.495 5.146 ( 4.382 -2.704 -0.916) 5.230 5.222 ( 7.903 2.573 1.211) 8.399 5.254 ( 8.079 -0.380 -1.185) 8.174 5.487 ( -9.161 9.518 1.920) 13.349 5.572 ( 2.890 4.226 -5.610) 7.595 5.666 ( -0.283 -4.728 -3.506) 5.893 5.698 ( -8.404 -10.421 -0.230) 13.389 5.934 ( 3.663 4.161 -3.087) 6.346 6.014 ( 2.307 -1.727 -0.327) 2.901 6.074 ( -0.740 0.598 -1.992) 2.207 6.125 ( 1.845 -0.782 -1.661) 2.603 6.203 ( -4.984 4.010 2.205) 6.766 6.339 ( -5.532 -6.312 0.862) 8.437 6.409 ( 3.507 1.307 2.384) 4.438 6.451 ( 4.527 -3.058 2.007) 5.820 6.849 ( 0.764 6.822 3.813) 7.853 6.925 ( 1.071 -0.754 -0.303) 1.344 7.157 ( 1.372 4.104 -0.597) 4.368 7.214 ( 0.298 0.043 -3.101) 3.115 7.384 ( 4.818 -1.171 3.429) 6.029 7.422 ( 5.933 -4.007 -2.619) 7.623 7.881 ( 4.642 5.338 1.875) 7.318 7.936 ( 1.907 0.545 -1.613) 2.556 7.986 ( 1.325 -0.540 -1.843) 2.334 8.009 ( 0.600 -1.909 1.884) 2.748 10.829 ( 0.453 0.698 1.213) 1.471 10.874 ( 0.318 -4.030 2.547) 4.778 11.222 ( -0.982 1.967 -0.602) 2.279 11.278 ( -1.042 -3.637 -1.802) 4.191 11.514 ( -2.326 3.307 -1.365) 4.267 11.547 ( -2.449 -0.066 -2.492) 3.495 11.744 ( -3.897 0.414 -2.909) 4.881 11.748 ( -3.869 0.019 -2.589) 4.655 12.726 ( 0.791 0.783 2.777) 2.991 12.740 ( 0.528 -0.467 3.254) 3.329 13.326 ( -2.436 3.374 1.534) 4.435 13.414 ( -2.332 -5.193 2.206) 6.105 20.274 ( -3.875 -0.135 0.803) 3.959 20.293 ( -4.462 -1.790 1.723) 5.107 20.799 ( -2.906 7.739 -2.660) 8.684 20.960 ( -5.935 -6.467 -0.351) 8.784 20.983 ( 4.756 10.524 0.406) 11.556 21.213 ( 5.283 -10.372 4.607) 12.518 21.803 ( 1.937 6.412 -10.989) 12.869 21.920 ( -0.175 -5.059 -11.428) 12.499 22.646 ( -0.134 0.829 -0.543) 1.000 22.661 ( 1.120 -0.572 0.235) 1.279 23.140 ( -6.928 0.984 -0.446) 7.012 23.161 ( -8.140 -1.035 -2.703) 8.640 ======================= Grid point 184 (108/108) ======================= q-point: (-0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( -7.015 11.483 10.250) 16.915 1.884 ( -9.788 -3.647 2.548) 10.751 2.024 ( -6.931 9.108 9.999) 15.198 2.108 ( -1.606 2.033 -3.848) 4.639 2.332 ( -1.192 4.585 -3.153) 5.690 2.398 ( -0.655 -3.750 -2.621) 4.622 2.482 ( -0.374 1.581 -8.960) 9.106 2.535 ( -6.081 -4.725 -0.635) 7.727 2.904 ( -5.004 10.631 11.012) 16.103 3.096 ( -2.986 8.458 -4.068) 9.849 3.200 ( -0.406 -11.511 6.623) 13.286 3.362 ( 1.504 -11.103 -7.962) 13.745 3.600 ( -1.719 6.585 6.514) 9.421 3.726 ( -2.007 1.677 -3.372) 4.268 3.785 ( -0.274 -5.580 2.368) 6.068 3.875 ( 0.871 -6.246 -7.644) 9.910 4.338 ( 9.678 5.954 1.778) 11.501 4.385 ( 10.167 2.279 0.139) 10.420 4.659 ( 2.326 -0.823 1.206) 2.746 4.705 ( 4.189 -4.245 1.005) 6.048 5.011 ( -0.597 5.482 1.347) 5.677 5.065 ( -3.205 4.734 3.516) 6.711 5.117 ( 1.902 -0.473 2.939) 3.532 5.175 ( -0.221 -8.384 4.369) 9.456 5.295 ( -3.274 1.826 -0.729) 3.819 5.350 ( -1.917 -2.456 -3.859) 4.959 5.452 ( 7.186 1.785 0.962) 7.467 5.527 ( -1.775 -6.200 3.694) 7.433 5.648 ( 2.983 1.471 -3.569) 4.879 5.680 ( 1.480 -1.541 -3.393) 4.010 5.974 ( 0.359 7.043 -4.805) 8.534 6.027 ( -2.763 5.440 2.041) 6.434 6.109 ( -1.337 -2.690 1.830) 3.518 6.130 ( 2.196 -6.552 -5.021) 8.541 6.210 ( 4.290 1.111 2.208) 4.951 6.256 ( 0.916 -3.023 1.002) 3.314 6.466 ( 1.526 1.853 2.503) 3.467 6.521 ( 1.835 -3.370 0.939) 3.951 6.833 ( -1.643 5.230 2.387) 5.979 6.898 ( -3.193 -1.220 -0.056) 3.419 7.161 ( -0.807 4.507 -0.160) 4.581 7.206 ( -0.776 1.390 -4.125) 4.421 7.468 ( 3.020 0.057 2.881) 4.174 7.529 ( 4.038 -4.798 -3.898) 7.384 7.935 ( 0.485 6.723 5.310) 8.580 7.979 ( 3.069 5.644 -4.090) 7.616 8.030 ( 3.547 -2.450 2.934) 5.215 8.103 ( 5.055 -5.120 -2.198) 7.523 10.857 ( 2.278 -0.033 0.280) 2.296 10.887 ( 0.746 -3.336 2.206) 4.068 11.196 ( -1.338 1.720 -0.574) 2.254 11.244 ( -2.178 -3.100 -1.604) 4.115 11.469 ( -1.800 2.947 -0.608) 3.507 11.498 ( -2.166 0.047 -1.734) 2.775 11.665 ( -3.300 0.380 -2.634) 4.239 11.671 ( -3.265 -0.156 -2.692) 4.235 12.763 ( 2.117 0.415 3.232) 3.886 12.774 ( 2.979 -0.613 2.161) 3.731 13.273 ( -2.212 2.427 1.503) 3.612 13.344 ( -4.189 -4.402 1.893) 6.365 20.213 ( -1.932 -0.862 -0.474) 2.168 20.220 ( -2.469 -1.523 0.161) 2.905 20.757 ( -0.935 5.084 -1.508) 5.385 20.841 ( -5.179 -2.075 -0.025) 5.579 21.106 ( 6.984 8.474 2.891) 11.356 21.305 ( 3.047 -9.870 6.087) 11.990 21.799 ( -2.566 5.413 -12.159) 13.554 21.893 ( -2.191 -3.823 -13.414) 14.119 22.673 ( 2.777 2.136 -0.493) 3.538 22.712 ( 3.466 -1.589 -0.125) 3.815 22.970 ( -9.221 0.985 -1.173) 9.347 22.988 ( -7.718 -0.760 0.342) 7.762 =================== 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 3/25200 10.0 311.249 314.647 257.724 0.000 -20.995 0.000 3/25200 20.0 95.038 99.351 74.491 0.000 -8.574 0.000 3/25200 30.0 42.615 43.868 32.609 0.000 -3.440 0.000 3/25200 40.0 24.021 24.513 18.169 0.000 -1.864 0.000 3/25200 50.0 15.777 15.978 11.857 0.000 -1.232 0.000 3/25200 60.0 11.486 11.538 8.590 0.000 -0.915 0.000 3/25200 70.0 8.960 8.933 6.676 0.000 -0.729 0.000 3/25200 80.0 7.329 7.260 5.445 0.000 -0.606 0.000 3/25200 90.0 6.199 6.109 4.597 0.000 -0.519 0.000 3/25200 100.0 5.373 5.274 3.981 0.000 -0.454 0.000 3/25200 110.0 4.746 4.643 3.515 0.000 -0.403 0.000 3/25200 120.0 4.255 4.151 3.151 0.000 -0.361 0.000 3/25200 130.0 3.861 3.758 2.861 0.000 -0.326 0.000 3/25200 140.0 3.539 3.437 2.625 0.000 -0.295 0.000 3/25200 150.0 3.272 3.170 2.430 0.000 -0.268 0.000 3/25200 160.0 3.047 2.945 2.266 0.000 -0.244 0.000 3/25200 170.0 2.855 2.754 2.128 0.000 -0.222 0.000 3/25200 180.0 2.691 2.589 2.010 0.000 -0.202 0.000 3/25200 190.0 2.548 2.445 1.908 0.000 -0.183 0.000 3/25200 200.0 2.423 2.319 1.819 0.000 -0.166 0.000 3/25200 210.0 2.312 2.207 1.741 0.000 -0.150 0.000 3/25200 220.0 2.214 2.107 1.671 0.000 -0.135 0.000 3/25200 230.0 2.126 2.017 1.610 0.000 -0.121 0.000 3/25200 240.0 2.047 1.936 1.554 0.000 -0.108 0.000 3/25200 250.0 1.975 1.863 1.504 0.000 -0.096 0.000 3/25200 260.0 1.910 1.796 1.458 0.000 -0.085 0.000 3/25200 270.0 1.849 1.734 1.416 0.000 -0.075 0.000 3/25200 280.0 1.794 1.677 1.377 0.000 -0.065 0.000 3/25200 290.0 1.742 1.624 1.341 0.000 -0.057 0.000 3/25200 300.0 1.694 1.575 1.308 0.000 -0.048 0.000 3/25200 310.0 1.649 1.530 1.276 0.000 -0.041 0.000 3/25200 320.0 1.607 1.487 1.247 0.000 -0.034 0.000 3/25200 330.0 1.568 1.447 1.219 0.000 -0.028 0.000 3/25200 340.0 1.530 1.409 1.192 0.000 -0.022 0.000 3/25200 350.0 1.495 1.373 1.167 0.000 -0.016 0.000 3/25200 360.0 1.461 1.340 1.143 0.000 -0.011 0.000 3/25200 370.0 1.430 1.308 1.121 0.000 -0.007 0.000 3/25200 380.0 1.399 1.277 1.099 0.000 -0.002 0.000 3/25200 390.0 1.370 1.248 1.078 0.000 0.002 0.000 3/25200 400.0 1.342 1.221 1.058 0.000 0.005 0.000 3/25200 410.0 1.316 1.195 1.039 0.000 0.008 0.000 3/25200 420.0 1.290 1.170 1.020 0.000 0.011 0.000 3/25200 430.0 1.266 1.146 1.003 0.000 0.014 0.000 3/25200 440.0 1.242 1.123 0.986 0.000 0.017 0.000 3/25200 450.0 1.220 1.101 0.969 0.000 0.019 0.000 3/25200 460.0 1.198 1.079 0.953 0.000 0.021 0.000 3/25200 470.0 1.177 1.059 0.937 0.000 0.023 0.000 3/25200 480.0 1.157 1.039 0.922 0.000 0.025 0.000 3/25200 490.0 1.137 1.021 0.908 0.000 0.027 0.000 3/25200 500.0 1.118 1.002 0.894 0.000 0.028 0.000 3/25200 510.0 1.100 0.985 0.880 0.000 0.030 0.000 3/25200 520.0 1.082 0.968 0.867 0.000 0.031 0.000 3/25200 530.0 1.065 0.952 0.854 0.000 0.032 0.000 3/25200 540.0 1.048 0.936 0.841 0.000 0.033 0.000 3/25200 550.0 1.032 0.921 0.829 0.000 0.034 0.000 3/25200 560.0 1.017 0.906 0.817 0.000 0.035 0.000 3/25200 570.0 1.002 0.892 0.806 0.000 0.036 0.000 3/25200 580.0 0.987 0.878 0.795 0.000 0.037 0.000 3/25200 590.0 0.973 0.864 0.784 0.000 0.038 0.000 3/25200 600.0 0.959 0.851 0.773 0.000 0.038 0.000 3/25200 610.0 0.945 0.839 0.763 0.000 0.039 0.000 3/25200 620.0 0.932 0.826 0.753 0.000 0.039 0.000 3/25200 630.0 0.919 0.814 0.743 0.000 0.040 0.000 3/25200 640.0 0.907 0.803 0.733 0.000 0.040 0.000 3/25200 650.0 0.894 0.792 0.724 0.000 0.041 0.000 3/25200 660.0 0.883 0.781 0.715 0.000 0.041 0.000 3/25200 670.0 0.871 0.770 0.706 0.000 0.041 0.000 3/25200 680.0 0.860 0.760 0.697 0.000 0.041 0.000 3/25200 690.0 0.849 0.749 0.689 0.000 0.042 0.000 3/25200 700.0 0.838 0.740 0.680 0.000 0.042 0.000 3/25200 710.0 0.828 0.730 0.672 0.000 0.042 0.000 3/25200 720.0 0.818 0.721 0.664 0.000 0.042 0.000 3/25200 730.0 0.808 0.712 0.657 0.000 0.042 0.000 3/25200 740.0 0.798 0.703 0.649 0.000 0.042 0.000 3/25200 750.0 0.788 0.694 0.642 0.000 0.042 0.000 3/25200 760.0 0.779 0.686 0.634 0.000 0.042 0.000 3/25200 770.0 0.770 0.677 0.627 0.000 0.042 0.000 3/25200 780.0 0.761 0.669 0.620 0.000 0.042 0.000 3/25200 790.0 0.753 0.661 0.614 0.000 0.042 0.000 3/25200 800.0 0.744 0.654 0.607 0.000 0.042 0.000 3/25200 810.0 0.736 0.646 0.600 0.000 0.042 0.000 3/25200 820.0 0.728 0.639 0.594 0.000 0.042 0.000 3/25200 830.0 0.720 0.632 0.588 0.000 0.042 0.000 3/25200 840.0 0.712 0.625 0.582 0.000 0.042 0.000 3/25200 850.0 0.705 0.618 0.576 0.000 0.042 0.000 3/25200 860.0 0.697 0.611 0.570 0.000 0.042 0.000 3/25200 870.0 0.690 0.605 0.564 0.000 0.042 0.000 3/25200 880.0 0.683 0.598 0.558 0.000 0.042 0.000 3/25200 890.0 0.676 0.592 0.553 0.000 0.042 0.000 3/25200 900.0 0.669 0.586 0.547 0.000 0.042 0.000 3/25200 910.0 0.662 0.580 0.542 0.000 0.042 0.000 3/25200 920.0 0.655 0.574 0.537 0.000 0.041 0.000 3/25200 930.0 0.649 0.568 0.531 0.000 0.041 0.000 3/25200 940.0 0.643 0.562 0.526 0.000 0.041 0.000 3/25200 950.0 0.636 0.557 0.521 0.000 0.041 0.000 3/25200 960.0 0.630 0.551 0.517 0.000 0.041 0.000 3/25200 970.0 0.624 0.546 0.512 0.000 0.041 0.000 3/25200 980.0 0.618 0.540 0.507 0.000 0.041 0.000 3/25200 990.0 0.613 0.535 0.502 0.000 0.040 0.000 3/25200 1000.0 0.607 0.530 0.498 0.000 0.040 0.000 3/25200 Thermal conductivity related properties were written into "kappa-m1057.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:54:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|