----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:17:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.464814300010970 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166988929999999 0.000000000000000 c -0.014196438317878 0.000000000000000 7.644909811569550 Atomic positions (fractional): *1 La 0.20281682628566 0.96522252081531 0.99932074418248 138.905 *2 La 0.70816735782763 0.54265254239262 0.49902566073566 138.905 3 La 0.79718317371434 0.46522252081531 0.00067925581752 138.905 4 La 0.29183264217237 0.04265254239262 0.50097433926434 138.905 *5 Ta 0.71114840400501 0.85019093314665 0.25605718985187 180.948 *6 Ta 0.70659202617931 0.85759292050164 0.74652730119005 180.948 *7 Ta 0.20545035711067 0.64751676954429 0.25202115378742 180.948 *8 Ta 0.22027585871522 0.64145691202771 0.74741448232750 180.948 9 Ta 0.29340797382069 0.35759292050164 0.25347269880995 180.948 10 Ta 0.28885159599499 0.35019093314665 0.74394281014813 180.948 11 Ta 0.79454964288932 0.14751676954429 0.74797884621258 180.948 12 Ta 0.77972414128478 0.14145691202771 0.25258551767250 180.948 *13 N 0.87319703111088 0.70633995561480 0.30296877504044 14.007 *14 N 0.30117480150982 0.64534646849441 0.50063160986191 14.007 15 N 0.12680296888912 0.20633995561480 0.69703122495956 14.007 16 N 0.69882519849018 0.14534646849441 0.49936839013809 14.007 *17 O 0.97133401948500 0.97520199943485 0.28454391830949 15.999 *18 O 0.97682418574940 0.97169550130816 0.71391666684925 15.999 *19 O 0.59556113586067 0.87742542807748 0.50091968970764 15.999 *20 O 0.79385590514286 0.85675273841794 0.99894093955224 15.999 *21 O 0.37906779290144 0.79112455922268 0.81140261341409 15.999 *22 O 0.37595766869492 0.79367745485462 0.18887307976991 15.999 *23 O 0.87864497089115 0.71103553901930 0.69865825494891 15.999 *24 O 0.10211726642304 0.61834792110870 0.99937088410413 15.999 *25 O 0.49023493373248 0.52854918869860 0.78889491814334 15.999 *26 O 0.47738413829829 0.51987165732030 0.21278913321695 15.999 27 O 0.02317581425060 0.47169550130816 0.28608333315075 15.999 28 O 0.02866598051500 0.47520199943485 0.71545608169051 15.999 29 O 0.40443886413933 0.37742542807748 0.49908031029236 15.999 30 O 0.20614409485714 0.35675273841794 0.00105906044776 15.999 31 O 0.62404233130508 0.29367745485461 0.81112692023009 15.999 32 O 0.62093220709856 0.29112455922268 0.18859738658591 15.999 33 O 0.12135502910885 0.21103553901930 0.30134174505109 15.999 34 O 0.89788273357696 0.11834792110870 0.00062911589587 15.999 35 O 0.52261586170171 0.01987165732030 0.78721086678305 15.999 36 O 0.50976506626752 0.02854918869860 0.21110508185666 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.464814300010970 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166988929999999 0.000000000000000 c -0.014196438317878 0.000000000000000 7.644909811569550 Atomic positions (fractional): *1 La 0.20281682628566 0.96522252081531 0.99932074418248 138.905 > 1 *2 La 0.70816735782763 0.54265254239262 0.49902566073566 138.905 > 2 3 La 0.79718317371434 0.46522252081531 0.00067925581752 138.905 > 3 4 La 0.29183264217237 0.04265254239262 0.50097433926434 138.905 > 4 *5 Ta 0.71114840400501 0.85019093314665 0.25605718985187 180.948 > 5 *6 Ta 0.70659202617931 0.85759292050164 0.74652730119005 180.948 > 6 *7 Ta 0.20545035711067 0.64751676954429 0.25202115378742 180.948 > 7 *8 Ta 0.22027585871522 0.64145691202771 0.74741448232750 180.948 > 8 9 Ta 0.29340797382069 0.35759292050164 0.25347269880995 180.948 > 9 10 Ta 0.28885159599499 0.35019093314665 0.74394281014813 180.948 > 10 11 Ta 0.79454964288932 0.14751676954429 0.74797884621258 180.948 > 11 12 Ta 0.77972414128478 0.14145691202771 0.25258551767250 180.948 > 12 *13 N 0.87319703111088 0.70633995561480 0.30296877504044 14.007 > 13 *14 N 0.30117480150982 0.64534646849441 0.50063160986191 14.007 > 14 15 N 0.12680296888912 0.20633995561480 0.69703122495956 14.007 > 15 16 N 0.69882519849018 0.14534646849441 0.49936839013809 14.007 > 16 *17 O 0.97133401948500 0.97520199943485 0.28454391830949 15.999 > 17 *18 O 0.97682418574940 0.97169550130816 0.71391666684925 15.999 > 18 *19 O 0.59556113586067 0.87742542807748 0.50091968970764 15.999 > 19 *20 O 0.79385590514286 0.85675273841794 0.99894093955224 15.999 > 20 *21 O 0.37906779290144 0.79112455922268 0.81140261341409 15.999 > 21 *22 O 0.37595766869492 0.79367745485462 0.18887307976991 15.999 > 22 *23 O 0.87864497089115 0.71103553901930 0.69865825494891 15.999 > 23 *24 O 0.10211726642304 0.61834792110870 0.99937088410413 15.999 > 24 *25 O 0.49023493373248 0.52854918869860 0.78889491814334 15.999 > 25 *26 O 0.47738413829829 0.51987165732030 0.21278913321695 15.999 > 26 27 O 0.02317581425060 0.47169550130816 0.28608333315075 15.999 > 27 28 O 0.02866598051500 0.47520199943485 0.71545608169051 15.999 > 28 29 O 0.40443886413933 0.37742542807748 0.49908031029236 15.999 > 29 30 O 0.20614409485714 0.35675273841794 0.00105906044776 15.999 > 30 31 O 0.62404233130508 0.29367745485461 0.81112692023009 15.999 > 31 32 O 0.62093220709856 0.29112455922268 0.18859738658591 15.999 > 32 33 O 0.12135502910885 0.21103553901930 0.30134174505109 15.999 > 33 34 O 0.89788273357696 0.11834792110870 0.00062911589587 15.999 > 34 35 O 0.52261586170171 0.01987165732030 0.78721086678305 15.999 > 35 36 O 0.50976506626752 0.02854918869860 0.21110508185666 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.929628600021941 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166988929999999 0.000000000000000 c -0.028392876635756 0.000000000000000 15.289819623139101 Atomic positions (fractional): *1 La 0.10140841314283 0.96522252081531 0.49966037209124 138.905 > 1 2 La 0.60140841314283 0.96522252081531 0.49966037209124 138.905 > 1 3 La 0.10140841314283 0.96522252081531 0.99966037209124 138.905 > 1 4 La 0.60140841314283 0.96522252081531 0.99966037209124 138.905 > 1 *5 La 0.35408367891381 0.54265254239262 0.24951283036783 138.905 > 2 6 La 0.85408367891381 0.54265254239262 0.24951283036783 138.905 > 2 7 La 0.35408367891381 0.54265254239262 0.74951283036783 138.905 > 2 8 La 0.85408367891381 0.54265254239262 0.74951283036783 138.905 > 2 9 La 0.39859158685717 0.46522252081531 0.00033962790876 138.905 > 3 10 La 0.89859158685717 0.46522252081531 0.00033962790876 138.905 > 3 11 La 0.39859158685717 0.46522252081531 0.50033962790876 138.905 > 3 12 La 0.89859158685717 0.46522252081531 0.50033962790876 138.905 > 3 13 La 0.14591632108618 0.04265254239262 0.25048716963217 138.905 > 4 14 La 0.64591632108619 0.04265254239262 0.25048716963217 138.905 > 4 15 La 0.14591632108618 0.04265254239262 0.75048716963217 138.905 > 4 16 La 0.64591632108619 0.04265254239262 0.75048716963217 138.905 > 4 *17 Ta 0.35557420200251 0.85019093314665 0.12802859492593 180.948 > 5 18 Ta 0.85557420200251 0.85019093314665 0.12802859492593 180.948 > 5 19 Ta 0.35557420200251 0.85019093314665 0.62802859492593 180.948 > 5 20 Ta 0.85557420200251 0.85019093314665 0.62802859492593 180.948 > 5 *21 Ta 0.35329601308966 0.85759292050164 0.37326365059502 180.948 > 6 22 Ta 0.85329601308966 0.85759292050164 0.37326365059502 180.948 > 6 23 Ta 0.35329601308966 0.85759292050164 0.87326365059502 180.948 > 6 24 Ta 0.85329601308966 0.85759292050164 0.87326365059502 180.948 > 6 *25 Ta 0.10272517855534 0.64751676954429 0.12601057689371 180.948 > 7 26 Ta 0.60272517855534 0.64751676954429 0.12601057689371 180.948 > 7 27 Ta 0.10272517855534 0.64751676954429 0.62601057689371 180.948 > 7 28 Ta 0.60272517855534 0.64751676954429 0.62601057689371 180.948 > 7 *29 Ta 0.11013792935761 0.64145691202771 0.37370724116375 180.948 > 8 30 Ta 0.61013792935761 0.64145691202771 0.37370724116375 180.948 > 8 31 Ta 0.11013792935761 0.64145691202771 0.87370724116375 180.948 > 8 32 Ta 0.61013792935761 0.64145691202771 0.87370724116375 180.948 > 8 33 Ta 0.14670398691034 0.35759292050164 0.12673634940498 180.948 > 9 34 Ta 0.64670398691034 0.35759292050164 0.12673634940498 180.948 > 9 35 Ta 0.14670398691034 0.35759292050164 0.62673634940498 180.948 > 9 36 Ta 0.64670398691034 0.35759292050164 0.62673634940498 180.948 > 9 37 Ta 0.14442579799749 0.35019093314665 0.37197140507407 180.948 > 10 38 Ta 0.64442579799749 0.35019093314665 0.37197140507407 180.948 > 10 39 Ta 0.14442579799749 0.35019093314665 0.87197140507407 180.948 > 10 40 Ta 0.64442579799749 0.35019093314665 0.87197140507407 180.948 > 10 41 Ta 0.39727482144466 0.14751676954429 0.37398942310629 180.948 > 11 42 Ta 0.89727482144466 0.14751676954429 0.37398942310629 180.948 > 11 43 Ta 0.39727482144466 0.14751676954429 0.87398942310629 180.948 > 11 44 Ta 0.89727482144466 0.14751676954429 0.87398942310629 180.948 > 11 45 Ta 0.38986207064239 0.14145691202771 0.12629275883625 180.948 > 12 46 Ta 0.88986207064239 0.14145691202771 0.12629275883625 180.948 > 12 47 Ta 0.38986207064239 0.14145691202771 0.62629275883625 180.948 > 12 48 Ta 0.88986207064239 0.14145691202771 0.62629275883625 180.948 > 12 *49 N 0.43659851555544 0.70633995561480 0.15148438752022 14.007 > 13 50 N 0.93659851555544 0.70633995561480 0.15148438752022 14.007 > 13 51 N 0.43659851555544 0.70633995561480 0.65148438752022 14.007 > 13 52 N 0.93659851555544 0.70633995561480 0.65148438752022 14.007 > 13 *53 N 0.15058740075491 0.64534646849441 0.25031580493095 14.007 > 14 54 N 0.65058740075491 0.64534646849441 0.25031580493095 14.007 > 14 55 N 0.15058740075491 0.64534646849441 0.75031580493095 14.007 > 14 56 N 0.65058740075491 0.64534646849441 0.75031580493095 14.007 > 14 57 N 0.06340148444456 0.20633995561480 0.34851561247978 14.007 > 15 58 N 0.56340148444456 0.20633995561480 0.34851561247978 14.007 > 15 59 N 0.06340148444456 0.20633995561480 0.84851561247978 14.007 > 15 60 N 0.56340148444456 0.20633995561480 0.84851561247978 14.007 > 15 61 N 0.34941259924509 0.14534646849441 0.24968419506905 14.007 > 16 62 N 0.84941259924509 0.14534646849441 0.24968419506905 14.007 > 16 63 N 0.34941259924509 0.14534646849441 0.74968419506905 14.007 > 16 64 N 0.84941259924509 0.14534646849441 0.74968419506905 14.007 > 16 *65 O 0.48566700974250 0.97520199943485 0.14227195915474 15.999 > 17 66 O 0.98566700974250 0.97520199943485 0.14227195915474 15.999 > 17 67 O 0.48566700974250 0.97520199943485 0.64227195915474 15.999 > 17 68 O 0.98566700974250 0.97520199943485 0.64227195915474 15.999 > 17 *69 O 0.48841209287470 0.97169550130816 0.35695833342462 15.999 > 18 70 O 0.98841209287470 0.97169550130816 0.35695833342462 15.999 > 18 71 O 0.48841209287470 0.97169550130816 0.85695833342462 15.999 > 18 72 O 0.98841209287470 0.97169550130816 0.85695833342462 15.999 > 18 *73 O 0.29778056793033 0.87742542807748 0.25045984485382 15.999 > 19 74 O 0.79778056793033 0.87742542807748 0.25045984485382 15.999 > 19 75 O 0.29778056793033 0.87742542807748 0.75045984485382 15.999 > 19 76 O 0.79778056793033 0.87742542807748 0.75045984485382 15.999 > 19 *77 O 0.39692795257143 0.85675273841794 0.49947046977612 15.999 > 20 78 O 0.89692795257143 0.85675273841794 0.49947046977612 15.999 > 20 79 O 0.39692795257143 0.85675273841794 0.99947046977612 15.999 > 20 80 O 0.89692795257143 0.85675273841794 0.99947046977612 15.999 > 20 *81 O 0.18953389645072 0.79112455922268 0.40570130670705 15.999 > 21 82 O 0.68953389645072 0.79112455922268 0.40570130670705 15.999 > 21 83 O 0.18953389645072 0.79112455922268 0.90570130670705 15.999 > 21 84 O 0.68953389645072 0.79112455922268 0.90570130670705 15.999 > 21 *85 O 0.18797883434746 0.79367745485462 0.09443653988495 15.999 > 22 86 O 0.68797883434746 0.79367745485462 0.09443653988495 15.999 > 22 87 O 0.18797883434746 0.79367745485462 0.59443653988495 15.999 > 22 88 O 0.68797883434746 0.79367745485462 0.59443653988495 15.999 > 22 *89 O 0.43932248544558 0.71103553901930 0.34932912747446 15.999 > 23 90 O 0.93932248544558 0.71103553901930 0.34932912747446 15.999 > 23 91 O 0.43932248544558 0.71103553901930 0.84932912747446 15.999 > 23 92 O 0.93932248544558 0.71103553901930 0.84932912747446 15.999 > 23 *93 O 0.05105863321152 0.61834792110870 0.49968544205206 15.999 > 24 94 O 0.55105863321152 0.61834792110870 0.49968544205206 15.999 > 24 95 O 0.05105863321152 0.61834792110870 0.99968544205206 15.999 > 24 96 O 0.55105863321152 0.61834792110870 0.99968544205206 15.999 > 24 *97 O 0.24511746686624 0.52854918869860 0.39444745907167 15.999 > 25 98 O 0.74511746686624 0.52854918869860 0.39444745907167 15.999 > 25 99 O 0.24511746686624 0.52854918869860 0.89444745907167 15.999 > 25 100 O 0.74511746686624 0.52854918869860 0.89444745907167 15.999 > 25 *101 O 0.23869206914914 0.51987165732030 0.10639456660847 15.999 > 26 102 O 0.73869206914914 0.51987165732030 0.10639456660847 15.999 > 26 103 O 0.23869206914914 0.51987165732030 0.60639456660847 15.999 > 26 104 O 0.73869206914914 0.51987165732030 0.60639456660847 15.999 > 26 105 O 0.01158790712530 0.47169550130816 0.14304166657538 15.999 > 27 106 O 0.51158790712530 0.47169550130816 0.14304166657538 15.999 > 27 107 O 0.01158790712530 0.47169550130816 0.64304166657538 15.999 > 27 108 O 0.51158790712530 0.47169550130816 0.64304166657538 15.999 > 27 109 O 0.01433299025750 0.47520199943485 0.35772804084526 15.999 > 28 110 O 0.51433299025750 0.47520199943485 0.35772804084526 15.999 > 28 111 O 0.01433299025750 0.47520199943485 0.85772804084526 15.999 > 28 112 O 0.51433299025750 0.47520199943485 0.85772804084526 15.999 > 28 113 O 0.20221943206967 0.37742542807748 0.24954015514618 15.999 > 29 114 O 0.70221943206967 0.37742542807748 0.24954015514618 15.999 > 29 115 O 0.20221943206967 0.37742542807748 0.74954015514618 15.999 > 29 116 O 0.70221943206967 0.37742542807748 0.74954015514618 15.999 > 29 117 O 0.10307204742857 0.35675273841794 0.00052953022388 15.999 > 30 118 O 0.60307204742857 0.35675273841794 0.00052953022388 15.999 > 30 119 O 0.10307204742857 0.35675273841794 0.50052953022388 15.999 > 30 120 O 0.60307204742857 0.35675273841794 0.50052953022388 15.999 > 30 121 O 0.31202116565254 0.29367745485461 0.40556346011505 15.999 > 31 122 O 0.81202116565254 0.29367745485461 0.40556346011505 15.999 > 31 123 O 0.31202116565254 0.29367745485461 0.90556346011505 15.999 > 31 124 O 0.81202116565254 0.29367745485461 0.90556346011505 15.999 > 31 125 O 0.31046610354928 0.29112455922268 0.09429869329295 15.999 > 32 126 O 0.81046610354928 0.29112455922268 0.09429869329295 15.999 > 32 127 O 0.31046610354928 0.29112455922268 0.59429869329295 15.999 > 32 128 O 0.81046610354928 0.29112455922268 0.59429869329295 15.999 > 32 129 O 0.06067751455442 0.21103553901930 0.15067087252554 15.999 > 33 130 O 0.56067751455442 0.21103553901930 0.15067087252554 15.999 > 33 131 O 0.06067751455442 0.21103553901930 0.65067087252554 15.999 > 33 132 O 0.56067751455442 0.21103553901930 0.65067087252554 15.999 > 33 133 O 0.44894136678848 0.11834792110870 0.00031455794794 15.999 > 34 134 O 0.94894136678848 0.11834792110870 0.00031455794794 15.999 > 34 135 O 0.44894136678848 0.11834792110870 0.50031455794794 15.999 > 34 136 O 0.94894136678848 0.11834792110870 0.50031455794794 15.999 > 34 137 O 0.26130793085086 0.01987165732030 0.39360543339153 15.999 > 35 138 O 0.76130793085086 0.01987165732030 0.39360543339153 15.999 > 35 139 O 0.26130793085086 0.01987165732030 0.89360543339153 15.999 > 35 140 O 0.76130793085086 0.01987165732030 0.89360543339153 15.999 > 35 141 O 0.25488253313376 0.02854918869860 0.10555254092833 15.999 > 36 142 O 0.75488253313376 0.02854918869860 0.10555254092833 15.999 > 36 143 O 0.25488253313376 0.02854918869860 0.60555254092833 15.999 > 36 144 O 0.75488253313376 0.02854918869860 0.60555254092833 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7820855 0.0000000 0.0517665 0.0000000 5.7011072 0.0000000 0.0517781 0.0000000 6.7689648 -------------------------- Born effective charges -------------------------- 1 La 5.3210672 -0.4886770 0.0635573 -0.4440480 3.8597421 -0.0190200 0.0898060 -0.0200327 4.7886490 2 La 5.3950456 0.4902918 -0.2050471 0.4108593 3.8504006 -0.0653118 -0.0818376 0.0312877 3.5504232 3 La 5.3210672 0.4886770 0.0635573 0.4440480 3.8597421 0.0190200 0.0898060 0.0200327 4.7886490 4 La 5.3950456 -0.4902918 -0.2050471 -0.4108593 3.8504006 0.0653118 -0.0818376 -0.0312877 3.5504232 5 Ta 5.5945181 -0.4594773 0.2890726 0.4669686 6.8540151 -0.0672417 -1.1987216 -0.0872882 7.1973289 6 Ta 6.1349234 0.0663836 -0.1373538 0.8107637 7.2742409 -0.1197700 1.3450062 0.2084061 7.7526941 7 Ta 6.4365310 0.2757618 0.0248869 -1.3420689 6.1094524 0.0669331 1.5436781 0.2497965 8.7680610 8 Ta 5.4851107 0.5680358 0.2041562 -0.7739240 6.8347284 -0.1184263 -1.5171074 -0.0803444 9.0444165 9 Ta 6.1349234 -0.0663836 -0.1373538 -0.8107637 7.2742409 0.1197700 1.3450062 -0.2084061 7.7526941 10 Ta 5.5945181 0.4594773 0.2890726 -0.4669686 6.8540151 0.0672417 -1.1987216 0.0872882 7.1973289 11 Ta 6.4365310 -0.2757618 0.0248869 1.3420689 6.1094524 -0.0669331 1.5436781 -0.2497965 8.7680610 12 Ta 5.4851107 -0.5680358 0.2041562 0.7739240 6.8347284 0.1184263 -1.5171074 0.0803444 9.0444165 13 N -4.1704465 1.7850351 0.3113714 2.1803607 -4.1275293 0.5828060 0.0256622 0.6523520 -1.7871234 14 N -2.3465561 0.2817582 -0.4611947 0.5164504 -1.4880906 0.3272760 -0.0226600 0.0535398 -7.2541248 15 N -4.1704465 -1.7850351 0.3113714 -2.1803607 -4.1275293 -0.5828060 0.0256622 -0.6523520 -1.7871234 16 N -2.3465561 -0.2817582 -0.4611947 -0.5164504 -1.4880906 -0.3272760 -0.0226600 -0.0535398 -7.2541248 17 O -2.6623745 -0.3024089 -0.1638705 -0.9371758 -3.5936705 -0.2909970 0.0141668 -0.3293345 -2.1746068 18 O -2.9602508 -0.6305090 0.2334259 -1.0127783 -3.3598260 0.3124077 0.0596807 0.3465363 -2.1440869 19 O -1.8331312 0.4859787 0.1842185 0.6032457 -1.8453244 -0.3989152 -0.0069762 -0.0962587 -5.0649092 20 O -1.7774335 -0.2948116 -0.2955907 -0.5009247 -1.3870482 0.3932478 -0.1424788 0.1256002 -6.2164631 21 O -3.4491815 -1.7829727 0.2115288 -1.7743752 -3.6282461 -0.4788847 0.0178268 -0.9374976 -1.7955043 22 O -3.8094727 -1.8897043 -0.1863546 -1.3921112 -2.9575407 0.5285112 -0.1117724 0.7687919 -1.8234349 23 O -3.2464102 1.4033958 -0.1648014 1.8062291 -3.6166646 -0.4549393 0.0422781 -0.7206704 -1.6462480 24 O -2.0212935 -0.7308266 0.1787172 -0.5238575 -1.9893610 -0.2027229 0.1170111 -0.1478356 -6.4397299 25 O -3.0019762 0.4990124 -0.5441757 0.7910558 -3.2788289 0.4377723 -0.6062408 0.5435751 -2.4238253 26 O -3.0886693 0.2937051 0.4574535 0.3511878 -3.5104490 -0.3111705 0.4326788 -0.4343542 -2.3315162 27 O -2.9602508 0.6305090 0.2334259 1.0127783 -3.3598260 -0.3124077 0.0596807 -0.3465363 -2.1440869 28 O -2.6623745 0.3024089 -0.1638705 0.9371758 -3.5936705 0.2909970 0.0141668 0.3293345 -2.1746068 29 O -1.8331312 -0.4859787 0.1842185 -0.6032457 -1.8453244 0.3989152 -0.0069762 0.0962587 -5.0649092 30 O -1.7774335 0.2948116 -0.2955907 0.5009247 -1.3870482 -0.3932478 -0.1424788 -0.1256002 -6.2164631 31 O -3.8094727 1.8897043 -0.1863546 1.3921112 -2.9575407 -0.5285112 -0.1117724 -0.7687919 -1.8234349 32 O -3.4491815 1.7829727 0.2115288 1.7743752 -3.6282461 0.4788847 0.0178268 0.9374976 -1.7955043 33 O -3.2464102 -1.4033958 -0.1648014 -1.8062291 -3.6166646 0.4549393 0.0422781 0.7206704 -1.6462480 34 O -2.0212935 0.7308266 0.1787172 0.5238575 -1.9893610 0.2027229 0.1170111 0.1478356 -6.4397299 35 O -3.0886693 -0.2937051 0.4574535 -0.3511878 -3.5104490 0.3111705 0.4326788 0.4343542 -2.3315162 36 O -3.0019762 -0.4990124 -0.5441757 -0.7910558 -3.2788289 -0.4377723 -0.6062408 -0.5435751 -2.4238253 ---------------------------------------------------------------------------- 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: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 2160 - Time: 4.251 Solver_block: 200 / 2160 - Time: 3.679 Solver_block: 300 / 2160 - Time: 3.675 Solver_block: 400 / 2160 - Time: 3.683 Solver_block: 500 / 2160 - Time: 3.680 Solver_block: 600 / 2160 - Time: 3.680 Solver_block: 700 / 2160 - Time: 3.672 Solver_block: 800 / 2160 - Time: 3.680 Solver_block: 900 / 2160 - Time: 3.684 Solver_block: 1000 / 2160 - Time: 3.685 Solver_block: 1100 / 2160 - Time: 3.681 Solver_block: 1200 / 2160 - Time: 3.684 Solver_block: 1300 / 2160 - Time: 3.679 Solver_block: 1400 / 2160 - Time: 3.683 Solver_block: 1500 / 2160 - Time: 3.680 Solver_block: 1600 / 2160 - Time: 3.669 Solver_block: 1700 / 2160 - Time: 3.682 Solver_block: 1800 / 2160 - Time: 3.682 Solver_block: 1900 / 2160 - Time: 3.681 Solver_block: 2000 / 2160 - Time: 3.684 Solver_block: 2100 / 2160 - Time: 3.682 Solver_block: 2160 / 2160 - Time: 2.358 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 82.756 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 142 (1) Compute compressed projector. (1) Use standard solver. (1) 106 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 35), data: (500, 70) @ (70, 35) |-- (250, 215), data: True |-- (250, 215), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), data: True |-- (2592, 2556), data: False |-- (2592, 106), data: (2592, 142) @ (142, 106) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 36), data: (500, 72) @ (72, 36) |-- (250, 214), data: True |-- (250, 214), 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 2026-01-09 03:21:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:21:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.464814300010970 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166988929999999 0.000000000000000 c -0.014196438317878 0.000000000000000 7.644909811569550 Atomic positions (fractional): 1 La 0.20281682628566 0.96522252081531 0.99932074418248 138.905 2 La 0.70816735782763 0.54265254239262 0.49902566073566 138.905 3 La 0.79718317371434 0.46522252081531 0.00067925581752 138.905 4 La 0.29183264217237 0.04265254239262 0.50097433926434 138.905 5 Ta 0.71114840400501 0.85019093314665 0.25605718985187 180.948 6 Ta 0.70659202617931 0.85759292050164 0.74652730119005 180.948 7 Ta 0.20545035711067 0.64751676954429 0.25202115378742 180.948 8 Ta 0.22027585871522 0.64145691202771 0.74741448232750 180.948 9 Ta 0.29340797382069 0.35759292050164 0.25347269880995 180.948 10 Ta 0.28885159599499 0.35019093314665 0.74394281014813 180.948 11 Ta 0.79454964288932 0.14751676954429 0.74797884621258 180.948 12 Ta 0.77972414128478 0.14145691202771 0.25258551767250 180.948 13 N 0.87319703111088 0.70633995561480 0.30296877504044 14.007 14 N 0.30117480150982 0.64534646849441 0.50063160986191 14.007 15 N 0.12680296888912 0.20633995561480 0.69703122495956 14.007 16 N 0.69882519849018 0.14534646849441 0.49936839013809 14.007 17 O 0.97133401948500 0.97520199943485 0.28454391830949 15.999 18 O 0.97682418574940 0.97169550130816 0.71391666684925 15.999 19 O 0.59556113586067 0.87742542807748 0.50091968970764 15.999 20 O 0.79385590514286 0.85675273841794 0.99894093955224 15.999 21 O 0.37906779290144 0.79112455922268 0.81140261341409 15.999 22 O 0.37595766869492 0.79367745485462 0.18887307976991 15.999 23 O 0.87864497089115 0.71103553901930 0.69865825494891 15.999 24 O 0.10211726642304 0.61834792110870 0.99937088410413 15.999 25 O 0.49023493373248 0.52854918869860 0.78889491814334 15.999 26 O 0.47738413829829 0.51987165732030 0.21278913321695 15.999 27 O 0.02317581425060 0.47169550130816 0.28608333315075 15.999 28 O 0.02866598051500 0.47520199943485 0.71545608169051 15.999 29 O 0.40443886413933 0.37742542807748 0.49908031029236 15.999 30 O 0.20614409485714 0.35675273841794 0.00105906044776 15.999 31 O 0.62404233130508 0.29367745485461 0.81112692023009 15.999 32 O 0.62093220709856 0.29112455922268 0.18859738658591 15.999 33 O 0.12135502910885 0.21103553901930 0.30134174505109 15.999 34 O 0.89788273357696 0.11834792110870 0.00062911589587 15.999 35 O 0.52261586170171 0.01987165732030 0.78721086678305 15.999 36 O 0.50976506626752 0.02854918869860 0.21110508185666 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.929628600021941 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166988929999999 0.000000000000000 c -0.028392876635756 0.000000000000000 15.289819623139101 Atomic positions (fractional): 1 La 0.10140841314283 0.96522252081531 0.49966037209124 138.905 > 1 2 La 0.60140841314283 0.96522252081531 0.49966037209124 138.905 > 1 3 La 0.10140841314283 0.96522252081531 0.99966037209124 138.905 > 1 4 La 0.60140841314283 0.96522252081531 0.99966037209124 138.905 > 1 5 La 0.35408367891381 0.54265254239262 0.24951283036783 138.905 > 5 6 La 0.85408367891381 0.54265254239262 0.24951283036783 138.905 > 5 7 La 0.35408367891381 0.54265254239262 0.74951283036783 138.905 > 5 8 La 0.85408367891381 0.54265254239262 0.74951283036783 138.905 > 5 9 La 0.39859158685717 0.46522252081531 0.00033962790876 138.905 > 9 10 La 0.89859158685717 0.46522252081531 0.00033962790876 138.905 > 9 11 La 0.39859158685717 0.46522252081531 0.50033962790876 138.905 > 9 12 La 0.89859158685717 0.46522252081531 0.50033962790876 138.905 > 9 13 La 0.14591632108618 0.04265254239262 0.25048716963217 138.905 > 13 14 La 0.64591632108619 0.04265254239262 0.25048716963217 138.905 > 13 15 La 0.14591632108618 0.04265254239262 0.75048716963217 138.905 > 13 16 La 0.64591632108619 0.04265254239262 0.75048716963217 138.905 > 13 17 Ta 0.35557420200251 0.85019093314665 0.12802859492593 180.948 > 17 18 Ta 0.85557420200251 0.85019093314665 0.12802859492593 180.948 > 17 19 Ta 0.35557420200251 0.85019093314665 0.62802859492593 180.948 > 17 20 Ta 0.85557420200251 0.85019093314665 0.62802859492593 180.948 > 17 21 Ta 0.35329601308966 0.85759292050164 0.37326365059502 180.948 > 21 22 Ta 0.85329601308966 0.85759292050164 0.37326365059502 180.948 > 21 23 Ta 0.35329601308966 0.85759292050164 0.87326365059502 180.948 > 21 24 Ta 0.85329601308966 0.85759292050164 0.87326365059502 180.948 > 21 25 Ta 0.10272517855534 0.64751676954429 0.12601057689371 180.948 > 25 26 Ta 0.60272517855534 0.64751676954429 0.12601057689371 180.948 > 25 27 Ta 0.10272517855534 0.64751676954429 0.62601057689371 180.948 > 25 28 Ta 0.60272517855534 0.64751676954429 0.62601057689371 180.948 > 25 29 Ta 0.11013792935761 0.64145691202771 0.37370724116375 180.948 > 29 30 Ta 0.61013792935761 0.64145691202771 0.37370724116375 180.948 > 29 31 Ta 0.11013792935761 0.64145691202771 0.87370724116375 180.948 > 29 32 Ta 0.61013792935761 0.64145691202771 0.87370724116375 180.948 > 29 33 Ta 0.14670398691034 0.35759292050164 0.12673634940498 180.948 > 33 34 Ta 0.64670398691034 0.35759292050164 0.12673634940498 180.948 > 33 35 Ta 0.14670398691034 0.35759292050164 0.62673634940498 180.948 > 33 36 Ta 0.64670398691034 0.35759292050164 0.62673634940498 180.948 > 33 37 Ta 0.14442579799749 0.35019093314665 0.37197140507407 180.948 > 37 38 Ta 0.64442579799749 0.35019093314665 0.37197140507407 180.948 > 37 39 Ta 0.14442579799749 0.35019093314665 0.87197140507407 180.948 > 37 40 Ta 0.64442579799749 0.35019093314665 0.87197140507407 180.948 > 37 41 Ta 0.39727482144466 0.14751676954429 0.37398942310629 180.948 > 41 42 Ta 0.89727482144466 0.14751676954429 0.37398942310629 180.948 > 41 43 Ta 0.39727482144466 0.14751676954429 0.87398942310629 180.948 > 41 44 Ta 0.89727482144466 0.14751676954429 0.87398942310629 180.948 > 41 45 Ta 0.38986207064239 0.14145691202771 0.12629275883625 180.948 > 45 46 Ta 0.88986207064239 0.14145691202771 0.12629275883625 180.948 > 45 47 Ta 0.38986207064239 0.14145691202771 0.62629275883625 180.948 > 45 48 Ta 0.88986207064239 0.14145691202771 0.62629275883625 180.948 > 45 49 N 0.43659851555544 0.70633995561480 0.15148438752022 14.007 > 49 50 N 0.93659851555544 0.70633995561480 0.15148438752022 14.007 > 49 51 N 0.43659851555544 0.70633995561480 0.65148438752022 14.007 > 49 52 N 0.93659851555544 0.70633995561480 0.65148438752022 14.007 > 49 53 N 0.15058740075491 0.64534646849441 0.25031580493095 14.007 > 53 54 N 0.65058740075491 0.64534646849441 0.25031580493095 14.007 > 53 55 N 0.15058740075491 0.64534646849441 0.75031580493095 14.007 > 53 56 N 0.65058740075491 0.64534646849441 0.75031580493095 14.007 > 53 57 N 0.06340148444456 0.20633995561480 0.34851561247978 14.007 > 57 58 N 0.56340148444456 0.20633995561480 0.34851561247978 14.007 > 57 59 N 0.06340148444456 0.20633995561480 0.84851561247978 14.007 > 57 60 N 0.56340148444456 0.20633995561480 0.84851561247978 14.007 > 57 61 N 0.34941259924509 0.14534646849441 0.24968419506905 14.007 > 61 62 N 0.84941259924509 0.14534646849441 0.24968419506905 14.007 > 61 63 N 0.34941259924509 0.14534646849441 0.74968419506905 14.007 > 61 64 N 0.84941259924509 0.14534646849441 0.74968419506905 14.007 > 61 65 O 0.48566700974250 0.97520199943485 0.14227195915474 15.999 > 65 66 O 0.98566700974250 0.97520199943485 0.14227195915474 15.999 > 65 67 O 0.48566700974250 0.97520199943485 0.64227195915474 15.999 > 65 68 O 0.98566700974250 0.97520199943485 0.64227195915474 15.999 > 65 69 O 0.48841209287470 0.97169550130816 0.35695833342462 15.999 > 69 70 O 0.98841209287470 0.97169550130816 0.35695833342462 15.999 > 69 71 O 0.48841209287470 0.97169550130816 0.85695833342462 15.999 > 69 72 O 0.98841209287470 0.97169550130816 0.85695833342462 15.999 > 69 73 O 0.29778056793033 0.87742542807748 0.25045984485382 15.999 > 73 74 O 0.79778056793033 0.87742542807748 0.25045984485382 15.999 > 73 75 O 0.29778056793033 0.87742542807748 0.75045984485382 15.999 > 73 76 O 0.79778056793033 0.87742542807748 0.75045984485382 15.999 > 73 77 O 0.39692795257143 0.85675273841794 0.49947046977612 15.999 > 77 78 O 0.89692795257143 0.85675273841794 0.49947046977612 15.999 > 77 79 O 0.39692795257143 0.85675273841794 0.99947046977612 15.999 > 77 80 O 0.89692795257143 0.85675273841794 0.99947046977612 15.999 > 77 81 O 0.18953389645072 0.79112455922268 0.40570130670705 15.999 > 81 82 O 0.68953389645072 0.79112455922268 0.40570130670705 15.999 > 81 83 O 0.18953389645072 0.79112455922268 0.90570130670705 15.999 > 81 84 O 0.68953389645072 0.79112455922268 0.90570130670705 15.999 > 81 85 O 0.18797883434746 0.79367745485462 0.09443653988495 15.999 > 85 86 O 0.68797883434746 0.79367745485462 0.09443653988495 15.999 > 85 87 O 0.18797883434746 0.79367745485462 0.59443653988495 15.999 > 85 88 O 0.68797883434746 0.79367745485462 0.59443653988495 15.999 > 85 89 O 0.43932248544558 0.71103553901930 0.34932912747446 15.999 > 89 90 O 0.93932248544558 0.71103553901930 0.34932912747446 15.999 > 89 91 O 0.43932248544558 0.71103553901930 0.84932912747446 15.999 > 89 92 O 0.93932248544558 0.71103553901930 0.84932912747446 15.999 > 89 93 O 0.05105863321152 0.61834792110870 0.49968544205206 15.999 > 93 94 O 0.55105863321152 0.61834792110870 0.49968544205206 15.999 > 93 95 O 0.05105863321152 0.61834792110870 0.99968544205206 15.999 > 93 96 O 0.55105863321152 0.61834792110870 0.99968544205206 15.999 > 93 97 O 0.24511746686624 0.52854918869860 0.39444745907167 15.999 > 97 98 O 0.74511746686624 0.52854918869860 0.39444745907167 15.999 > 97 99 O 0.24511746686624 0.52854918869860 0.89444745907167 15.999 > 97 100 O 0.74511746686624 0.52854918869860 0.89444745907167 15.999 > 97 101 O 0.23869206914914 0.51987165732030 0.10639456660847 15.999 > 101 102 O 0.73869206914914 0.51987165732030 0.10639456660847 15.999 > 101 103 O 0.23869206914914 0.51987165732030 0.60639456660847 15.999 > 101 104 O 0.73869206914914 0.51987165732030 0.60639456660847 15.999 > 101 105 O 0.01158790712530 0.47169550130816 0.14304166657538 15.999 > 105 106 O 0.51158790712530 0.47169550130816 0.14304166657538 15.999 > 105 107 O 0.01158790712530 0.47169550130816 0.64304166657538 15.999 > 105 108 O 0.51158790712530 0.47169550130816 0.64304166657538 15.999 > 105 109 O 0.01433299025750 0.47520199943485 0.35772804084526 15.999 > 109 110 O 0.51433299025750 0.47520199943485 0.35772804084526 15.999 > 109 111 O 0.01433299025750 0.47520199943485 0.85772804084526 15.999 > 109 112 O 0.51433299025750 0.47520199943485 0.85772804084526 15.999 > 109 113 O 0.20221943206967 0.37742542807748 0.24954015514618 15.999 > 113 114 O 0.70221943206967 0.37742542807748 0.24954015514618 15.999 > 113 115 O 0.20221943206967 0.37742542807748 0.74954015514618 15.999 > 113 116 O 0.70221943206967 0.37742542807748 0.74954015514618 15.999 > 113 117 O 0.10307204742857 0.35675273841794 0.00052953022388 15.999 > 117 118 O 0.60307204742857 0.35675273841794 0.00052953022388 15.999 > 117 119 O 0.10307204742857 0.35675273841794 0.50052953022388 15.999 > 117 120 O 0.60307204742857 0.35675273841794 0.50052953022388 15.999 > 117 121 O 0.31202116565254 0.29367745485461 0.40556346011505 15.999 > 121 122 O 0.81202116565254 0.29367745485461 0.40556346011505 15.999 > 121 123 O 0.31202116565254 0.29367745485461 0.90556346011505 15.999 > 121 124 O 0.81202116565254 0.29367745485461 0.90556346011505 15.999 > 121 125 O 0.31046610354928 0.29112455922268 0.09429869329295 15.999 > 125 126 O 0.81046610354928 0.29112455922268 0.09429869329295 15.999 > 125 127 O 0.31046610354928 0.29112455922268 0.59429869329295 15.999 > 125 128 O 0.81046610354928 0.29112455922268 0.59429869329295 15.999 > 125 129 O 0.06067751455442 0.21103553901930 0.15067087252554 15.999 > 129 130 O 0.56067751455442 0.21103553901930 0.15067087252554 15.999 > 129 131 O 0.06067751455442 0.21103553901930 0.65067087252554 15.999 > 129 132 O 0.56067751455442 0.21103553901930 0.65067087252554 15.999 > 129 133 O 0.44894136678848 0.11834792110870 0.00031455794794 15.999 > 133 134 O 0.94894136678848 0.11834792110870 0.00031455794794 15.999 > 133 135 O 0.44894136678848 0.11834792110870 0.50031455794794 15.999 > 133 136 O 0.94894136678848 0.11834792110870 0.50031455794794 15.999 > 133 137 O 0.26130793085086 0.01987165732030 0.39360543339153 15.999 > 137 138 O 0.76130793085086 0.01987165732030 0.39360543339153 15.999 > 137 139 O 0.26130793085086 0.01987165732030 0.89360543339153 15.999 > 137 140 O 0.76130793085086 0.01987165732030 0.89360543339153 15.999 > 137 141 O 0.25488253313376 0.02854918869860 0.10555254092833 15.999 > 141 142 O 0.75488253313376 0.02854918869860 0.10555254092833 15.999 > 141 143 O 0.25488253313376 0.02854918869860 0.60555254092833 15.999 > 141 144 O 0.75488253313376 0.02854918869860 0.60555254092833 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.7820855 0.0000000 0.0517665 0.0000000 5.7011072 0.0000000 0.0517781 0.0000000 6.7689648 -------------------------- Born effective charges -------------------------- 1 La 5.3210672 -0.4886770 0.0635573 -0.4440480 3.8597421 -0.0190200 0.0898060 -0.0200327 4.7886490 2 La 5.3950456 0.4902918 -0.2050471 0.4108593 3.8504006 -0.0653118 -0.0818376 0.0312877 3.5504232 3 La 5.3210672 0.4886770 0.0635573 0.4440480 3.8597421 0.0190200 0.0898060 0.0200327 4.7886490 4 La 5.3950456 -0.4902918 -0.2050471 -0.4108593 3.8504006 0.0653118 -0.0818376 -0.0312877 3.5504232 5 Ta 5.5945181 -0.4594773 0.2890726 0.4669686 6.8540151 -0.0672417 -1.1987216 -0.0872882 7.1973289 6 Ta 6.1349234 0.0663836 -0.1373538 0.8107637 7.2742409 -0.1197700 1.3450062 0.2084061 7.7526941 7 Ta 6.4365310 0.2757618 0.0248869 -1.3420689 6.1094524 0.0669331 1.5436781 0.2497965 8.7680610 8 Ta 5.4851107 0.5680358 0.2041562 -0.7739240 6.8347284 -0.1184263 -1.5171074 -0.0803444 9.0444165 9 Ta 6.1349234 -0.0663836 -0.1373538 -0.8107637 7.2742409 0.1197700 1.3450062 -0.2084061 7.7526941 10 Ta 5.5945181 0.4594773 0.2890726 -0.4669686 6.8540151 0.0672417 -1.1987216 0.0872882 7.1973289 11 Ta 6.4365310 -0.2757618 0.0248869 1.3420689 6.1094524 -0.0669331 1.5436781 -0.2497965 8.7680610 12 Ta 5.4851107 -0.5680358 0.2041562 0.7739240 6.8347284 0.1184263 -1.5171074 0.0803444 9.0444165 13 N -4.1704465 1.7850351 0.3113714 2.1803607 -4.1275293 0.5828060 0.0256622 0.6523520 -1.7871234 14 N -2.3465561 0.2817582 -0.4611947 0.5164504 -1.4880906 0.3272760 -0.0226600 0.0535398 -7.2541248 15 N -4.1704465 -1.7850351 0.3113714 -2.1803607 -4.1275293 -0.5828060 0.0256622 -0.6523520 -1.7871234 16 N -2.3465561 -0.2817582 -0.4611947 -0.5164504 -1.4880906 -0.3272760 -0.0226600 -0.0535398 -7.2541248 17 O -2.6623745 -0.3024089 -0.1638705 -0.9371758 -3.5936705 -0.2909970 0.0141668 -0.3293345 -2.1746068 18 O -2.9602508 -0.6305090 0.2334259 -1.0127783 -3.3598260 0.3124077 0.0596807 0.3465363 -2.1440869 19 O -1.8331312 0.4859787 0.1842185 0.6032457 -1.8453244 -0.3989152 -0.0069762 -0.0962587 -5.0649092 20 O -1.7774335 -0.2948116 -0.2955907 -0.5009247 -1.3870482 0.3932478 -0.1424788 0.1256002 -6.2164631 21 O -3.4491815 -1.7829727 0.2115288 -1.7743752 -3.6282461 -0.4788847 0.0178268 -0.9374976 -1.7955043 22 O -3.8094727 -1.8897043 -0.1863546 -1.3921112 -2.9575407 0.5285112 -0.1117724 0.7687919 -1.8234349 23 O -3.2464102 1.4033958 -0.1648014 1.8062291 -3.6166646 -0.4549393 0.0422781 -0.7206704 -1.6462480 24 O -2.0212935 -0.7308266 0.1787172 -0.5238575 -1.9893610 -0.2027229 0.1170111 -0.1478356 -6.4397299 25 O -3.0019762 0.4990124 -0.5441757 0.7910558 -3.2788289 0.4377723 -0.6062408 0.5435751 -2.4238253 26 O -3.0886693 0.2937051 0.4574535 0.3511878 -3.5104490 -0.3111705 0.4326788 -0.4343542 -2.3315162 27 O -2.9602508 0.6305090 0.2334259 1.0127783 -3.3598260 -0.3124077 0.0596807 -0.3465363 -2.1440869 28 O -2.6623745 0.3024089 -0.1638705 0.9371758 -3.5936705 0.2909970 0.0141668 0.3293345 -2.1746068 29 O -1.8331312 -0.4859787 0.1842185 -0.6032457 -1.8453244 0.3989152 -0.0069762 0.0962587 -5.0649092 30 O -1.7774335 0.2948116 -0.2955907 0.5009247 -1.3870482 -0.3932478 -0.1424788 -0.1256002 -6.2164631 31 O -3.8094727 1.8897043 -0.1863546 1.3921112 -2.9575407 -0.5285112 -0.1117724 -0.7687919 -1.8234349 32 O -3.4491815 1.7829727 0.2115288 1.7743752 -3.6282461 0.4788847 0.0178268 0.9374976 -1.7955043 33 O -3.2464102 -1.4033958 -0.1648014 -1.8062291 -3.6166646 0.4549393 0.0422781 0.7206704 -1.6462480 34 O -2.0212935 0.7308266 0.1787172 0.5238575 -1.9893610 0.2027229 0.1170111 0.1478356 -6.4397299 35 O -3.0886693 -0.2937051 0.4574535 -0.3511878 -3.5104490 0.3111705 0.4326788 0.4343542 -2.3315162 36 O -3.0019762 -0.4990124 -0.5441757 -0.7910558 -3.2788289 -0.4377723 -0.6062408 -0.5435751 -2.4238253 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 93, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000003 (xy) 0.00000003 (xy) 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 2026-01-09 03:23:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:23:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1 (4) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.464814300010970 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166988929999999 0.000000000000000 c -0.014196438317878 0.000000000000000 7.644909811569550 Atomic positions (fractional): 1 La 0.20281682628566 0.96522252081531 0.99932074418248 138.905 2 La 0.70816735782763 0.54265254239262 0.49902566073566 138.905 3 La 0.79718317371434 0.46522252081531 0.00067925581752 138.905 4 La 0.29183264217237 0.04265254239262 0.50097433926434 138.905 5 Ta 0.71114840400501 0.85019093314665 0.25605718985187 180.948 6 Ta 0.70659202617931 0.85759292050164 0.74652730119005 180.948 7 Ta 0.20545035711067 0.64751676954429 0.25202115378742 180.948 8 Ta 0.22027585871522 0.64145691202771 0.74741448232750 180.948 9 Ta 0.29340797382069 0.35759292050164 0.25347269880995 180.948 10 Ta 0.28885159599499 0.35019093314665 0.74394281014813 180.948 11 Ta 0.79454964288932 0.14751676954429 0.74797884621258 180.948 12 Ta 0.77972414128478 0.14145691202771 0.25258551767250 180.948 13 N 0.87319703111088 0.70633995561480 0.30296877504044 14.007 14 N 0.30117480150982 0.64534646849441 0.50063160986191 14.007 15 N 0.12680296888912 0.20633995561480 0.69703122495956 14.007 16 N 0.69882519849018 0.14534646849441 0.49936839013809 14.007 17 O 0.97133401948500 0.97520199943485 0.28454391830949 15.999 18 O 0.97682418574940 0.97169550130816 0.71391666684925 15.999 19 O 0.59556113586067 0.87742542807748 0.50091968970764 15.999 20 O 0.79385590514286 0.85675273841794 0.99894093955224 15.999 21 O 0.37906779290144 0.79112455922268 0.81140261341409 15.999 22 O 0.37595766869492 0.79367745485462 0.18887307976991 15.999 23 O 0.87864497089115 0.71103553901930 0.69865825494891 15.999 24 O 0.10211726642304 0.61834792110870 0.99937088410413 15.999 25 O 0.49023493373248 0.52854918869860 0.78889491814334 15.999 26 O 0.47738413829829 0.51987165732030 0.21278913321695 15.999 27 O 0.02317581425060 0.47169550130816 0.28608333315075 15.999 28 O 0.02866598051500 0.47520199943485 0.71545608169051 15.999 29 O 0.40443886413933 0.37742542807748 0.49908031029236 15.999 30 O 0.20614409485714 0.35675273841794 0.00105906044776 15.999 31 O 0.62404233130508 0.29367745485461 0.81112692023009 15.999 32 O 0.62093220709856 0.29112455922268 0.18859738658591 15.999 33 O 0.12135502910885 0.21103553901930 0.30134174505109 15.999 34 O 0.89788273357696 0.11834792110870 0.00062911589587 15.999 35 O 0.52261586170171 0.01987165732030 0.78721086678305 15.999 36 O 0.50976506626752 0.02854918869860 0.21110508185666 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.929628600021941 0.000000000000000 0.000000000000000 b 0.000000000000000 11.166988929999999 0.000000000000000 c -0.028392876635756 0.000000000000000 15.289819623139101 Atomic positions (fractional): 1 La 0.10140841314283 0.96522252081531 0.49966037209124 138.905 > 1 2 La 0.60140841314283 0.96522252081531 0.49966037209124 138.905 > 1 3 La 0.10140841314283 0.96522252081531 0.99966037209124 138.905 > 1 4 La 0.60140841314283 0.96522252081531 0.99966037209124 138.905 > 1 5 La 0.35408367891381 0.54265254239262 0.24951283036783 138.905 > 5 6 La 0.85408367891381 0.54265254239262 0.24951283036783 138.905 > 5 7 La 0.35408367891381 0.54265254239262 0.74951283036783 138.905 > 5 8 La 0.85408367891381 0.54265254239262 0.74951283036783 138.905 > 5 9 La 0.39859158685717 0.46522252081531 0.00033962790876 138.905 > 9 10 La 0.89859158685717 0.46522252081531 0.00033962790876 138.905 > 9 11 La 0.39859158685717 0.46522252081531 0.50033962790876 138.905 > 9 12 La 0.89859158685717 0.46522252081531 0.50033962790876 138.905 > 9 13 La 0.14591632108618 0.04265254239262 0.25048716963217 138.905 > 13 14 La 0.64591632108619 0.04265254239262 0.25048716963217 138.905 > 13 15 La 0.14591632108618 0.04265254239262 0.75048716963217 138.905 > 13 16 La 0.64591632108619 0.04265254239262 0.75048716963217 138.905 > 13 17 Ta 0.35557420200251 0.85019093314665 0.12802859492593 180.948 > 17 18 Ta 0.85557420200251 0.85019093314665 0.12802859492593 180.948 > 17 19 Ta 0.35557420200251 0.85019093314665 0.62802859492593 180.948 > 17 20 Ta 0.85557420200251 0.85019093314665 0.62802859492593 180.948 > 17 21 Ta 0.35329601308966 0.85759292050164 0.37326365059502 180.948 > 21 22 Ta 0.85329601308966 0.85759292050164 0.37326365059502 180.948 > 21 23 Ta 0.35329601308966 0.85759292050164 0.87326365059502 180.948 > 21 24 Ta 0.85329601308966 0.85759292050164 0.87326365059502 180.948 > 21 25 Ta 0.10272517855534 0.64751676954429 0.12601057689371 180.948 > 25 26 Ta 0.60272517855534 0.64751676954429 0.12601057689371 180.948 > 25 27 Ta 0.10272517855534 0.64751676954429 0.62601057689371 180.948 > 25 28 Ta 0.60272517855534 0.64751676954429 0.62601057689371 180.948 > 25 29 Ta 0.11013792935761 0.64145691202771 0.37370724116375 180.948 > 29 30 Ta 0.61013792935761 0.64145691202771 0.37370724116375 180.948 > 29 31 Ta 0.11013792935761 0.64145691202771 0.87370724116375 180.948 > 29 32 Ta 0.61013792935761 0.64145691202771 0.87370724116375 180.948 > 29 33 Ta 0.14670398691034 0.35759292050164 0.12673634940498 180.948 > 33 34 Ta 0.64670398691034 0.35759292050164 0.12673634940498 180.948 > 33 35 Ta 0.14670398691034 0.35759292050164 0.62673634940498 180.948 > 33 36 Ta 0.64670398691034 0.35759292050164 0.62673634940498 180.948 > 33 37 Ta 0.14442579799749 0.35019093314665 0.37197140507407 180.948 > 37 38 Ta 0.64442579799749 0.35019093314665 0.37197140507407 180.948 > 37 39 Ta 0.14442579799749 0.35019093314665 0.87197140507407 180.948 > 37 40 Ta 0.64442579799749 0.35019093314665 0.87197140507407 180.948 > 37 41 Ta 0.39727482144466 0.14751676954429 0.37398942310629 180.948 > 41 42 Ta 0.89727482144466 0.14751676954429 0.37398942310629 180.948 > 41 43 Ta 0.39727482144466 0.14751676954429 0.87398942310629 180.948 > 41 44 Ta 0.89727482144466 0.14751676954429 0.87398942310629 180.948 > 41 45 Ta 0.38986207064239 0.14145691202771 0.12629275883625 180.948 > 45 46 Ta 0.88986207064239 0.14145691202771 0.12629275883625 180.948 > 45 47 Ta 0.38986207064239 0.14145691202771 0.62629275883625 180.948 > 45 48 Ta 0.88986207064239 0.14145691202771 0.62629275883625 180.948 > 45 49 N 0.43659851555544 0.70633995561480 0.15148438752022 14.007 > 49 50 N 0.93659851555544 0.70633995561480 0.15148438752022 14.007 > 49 51 N 0.43659851555544 0.70633995561480 0.65148438752022 14.007 > 49 52 N 0.93659851555544 0.70633995561480 0.65148438752022 14.007 > 49 53 N 0.15058740075491 0.64534646849441 0.25031580493095 14.007 > 53 54 N 0.65058740075491 0.64534646849441 0.25031580493095 14.007 > 53 55 N 0.15058740075491 0.64534646849441 0.75031580493095 14.007 > 53 56 N 0.65058740075491 0.64534646849441 0.75031580493095 14.007 > 53 57 N 0.06340148444456 0.20633995561480 0.34851561247978 14.007 > 57 58 N 0.56340148444456 0.20633995561480 0.34851561247978 14.007 > 57 59 N 0.06340148444456 0.20633995561480 0.84851561247978 14.007 > 57 60 N 0.56340148444456 0.20633995561480 0.84851561247978 14.007 > 57 61 N 0.34941259924509 0.14534646849441 0.24968419506905 14.007 > 61 62 N 0.84941259924509 0.14534646849441 0.24968419506905 14.007 > 61 63 N 0.34941259924509 0.14534646849441 0.74968419506905 14.007 > 61 64 N 0.84941259924509 0.14534646849441 0.74968419506905 14.007 > 61 65 O 0.48566700974250 0.97520199943485 0.14227195915474 15.999 > 65 66 O 0.98566700974250 0.97520199943485 0.14227195915474 15.999 > 65 67 O 0.48566700974250 0.97520199943485 0.64227195915474 15.999 > 65 68 O 0.98566700974250 0.97520199943485 0.64227195915474 15.999 > 65 69 O 0.48841209287470 0.97169550130816 0.35695833342462 15.999 > 69 70 O 0.98841209287470 0.97169550130816 0.35695833342462 15.999 > 69 71 O 0.48841209287470 0.97169550130816 0.85695833342462 15.999 > 69 72 O 0.98841209287470 0.97169550130816 0.85695833342462 15.999 > 69 73 O 0.29778056793033 0.87742542807748 0.25045984485382 15.999 > 73 74 O 0.79778056793033 0.87742542807748 0.25045984485382 15.999 > 73 75 O 0.29778056793033 0.87742542807748 0.75045984485382 15.999 > 73 76 O 0.79778056793033 0.87742542807748 0.75045984485382 15.999 > 73 77 O 0.39692795257143 0.85675273841794 0.49947046977612 15.999 > 77 78 O 0.89692795257143 0.85675273841794 0.49947046977612 15.999 > 77 79 O 0.39692795257143 0.85675273841794 0.99947046977612 15.999 > 77 80 O 0.89692795257143 0.85675273841794 0.99947046977612 15.999 > 77 81 O 0.18953389645072 0.79112455922268 0.40570130670705 15.999 > 81 82 O 0.68953389645072 0.79112455922268 0.40570130670705 15.999 > 81 83 O 0.18953389645072 0.79112455922268 0.90570130670705 15.999 > 81 84 O 0.68953389645072 0.79112455922268 0.90570130670705 15.999 > 81 85 O 0.18797883434746 0.79367745485462 0.09443653988495 15.999 > 85 86 O 0.68797883434746 0.79367745485462 0.09443653988495 15.999 > 85 87 O 0.18797883434746 0.79367745485462 0.59443653988495 15.999 > 85 88 O 0.68797883434746 0.79367745485462 0.59443653988495 15.999 > 85 89 O 0.43932248544558 0.71103553901930 0.34932912747446 15.999 > 89 90 O 0.93932248544558 0.71103553901930 0.34932912747446 15.999 > 89 91 O 0.43932248544558 0.71103553901930 0.84932912747446 15.999 > 89 92 O 0.93932248544558 0.71103553901930 0.84932912747446 15.999 > 89 93 O 0.05105863321152 0.61834792110870 0.49968544205206 15.999 > 93 94 O 0.55105863321152 0.61834792110870 0.49968544205206 15.999 > 93 95 O 0.05105863321152 0.61834792110870 0.99968544205206 15.999 > 93 96 O 0.55105863321152 0.61834792110870 0.99968544205206 15.999 > 93 97 O 0.24511746686624 0.52854918869860 0.39444745907167 15.999 > 97 98 O 0.74511746686624 0.52854918869860 0.39444745907167 15.999 > 97 99 O 0.24511746686624 0.52854918869860 0.89444745907167 15.999 > 97 100 O 0.74511746686624 0.52854918869860 0.89444745907167 15.999 > 97 101 O 0.23869206914914 0.51987165732030 0.10639456660847 15.999 > 101 102 O 0.73869206914914 0.51987165732030 0.10639456660847 15.999 > 101 103 O 0.23869206914914 0.51987165732030 0.60639456660847 15.999 > 101 104 O 0.73869206914914 0.51987165732030 0.60639456660847 15.999 > 101 105 O 0.01158790712530 0.47169550130816 0.14304166657538 15.999 > 105 106 O 0.51158790712530 0.47169550130816 0.14304166657538 15.999 > 105 107 O 0.01158790712530 0.47169550130816 0.64304166657538 15.999 > 105 108 O 0.51158790712530 0.47169550130816 0.64304166657538 15.999 > 105 109 O 0.01433299025750 0.47520199943485 0.35772804084526 15.999 > 109 110 O 0.51433299025750 0.47520199943485 0.35772804084526 15.999 > 109 111 O 0.01433299025750 0.47520199943485 0.85772804084526 15.999 > 109 112 O 0.51433299025750 0.47520199943485 0.85772804084526 15.999 > 109 113 O 0.20221943206967 0.37742542807748 0.24954015514618 15.999 > 113 114 O 0.70221943206967 0.37742542807748 0.24954015514618 15.999 > 113 115 O 0.20221943206967 0.37742542807748 0.74954015514618 15.999 > 113 116 O 0.70221943206967 0.37742542807748 0.74954015514618 15.999 > 113 117 O 0.10307204742857 0.35675273841794 0.00052953022388 15.999 > 117 118 O 0.60307204742857 0.35675273841794 0.00052953022388 15.999 > 117 119 O 0.10307204742857 0.35675273841794 0.50052953022388 15.999 > 117 120 O 0.60307204742857 0.35675273841794 0.50052953022388 15.999 > 117 121 O 0.31202116565254 0.29367745485461 0.40556346011505 15.999 > 121 122 O 0.81202116565254 0.29367745485461 0.40556346011505 15.999 > 121 123 O 0.31202116565254 0.29367745485461 0.90556346011505 15.999 > 121 124 O 0.81202116565254 0.29367745485461 0.90556346011505 15.999 > 121 125 O 0.31046610354928 0.29112455922268 0.09429869329295 15.999 > 125 126 O 0.81046610354928 0.29112455922268 0.09429869329295 15.999 > 125 127 O 0.31046610354928 0.29112455922268 0.59429869329295 15.999 > 125 128 O 0.81046610354928 0.29112455922268 0.59429869329295 15.999 > 125 129 O 0.06067751455442 0.21103553901930 0.15067087252554 15.999 > 129 130 O 0.56067751455442 0.21103553901930 0.15067087252554 15.999 > 129 131 O 0.06067751455442 0.21103553901930 0.65067087252554 15.999 > 129 132 O 0.56067751455442 0.21103553901930 0.65067087252554 15.999 > 129 133 O 0.44894136678848 0.11834792110870 0.00031455794794 15.999 > 133 134 O 0.94894136678848 0.11834792110870 0.00031455794794 15.999 > 133 135 O 0.44894136678848 0.11834792110870 0.50031455794794 15.999 > 133 136 O 0.94894136678848 0.11834792110870 0.50031455794794 15.999 > 133 137 O 0.26130793085086 0.01987165732030 0.39360543339153 15.999 > 137 138 O 0.76130793085086 0.01987165732030 0.39360543339153 15.999 > 137 139 O 0.26130793085086 0.01987165732030 0.89360543339153 15.999 > 137 140 O 0.76130793085086 0.01987165732030 0.89360543339153 15.999 > 137 141 O 0.25488253313376 0.02854918869860 0.10555254092833 15.999 > 141 142 O 0.75488253313376 0.02854918869860 0.10555254092833 15.999 > 141 143 O 0.25488253313376 0.02854918869860 0.60555254092833 15.999 > 141 144 O 0.75488253313376 0.02854918869860 0.60555254092833 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.7820855 0.0000000 0.0517665 0.0000000 5.7011072 0.0000000 0.0517781 0.0000000 6.7689648 -------------------------- Born effective charges -------------------------- 1 La 5.3210672 -0.4886770 0.0635573 -0.4440480 3.8597421 -0.0190200 0.0898060 -0.0200327 4.7886490 2 La 5.3950456 0.4902918 -0.2050471 0.4108593 3.8504006 -0.0653118 -0.0818376 0.0312877 3.5504232 3 La 5.3210672 0.4886770 0.0635573 0.4440480 3.8597421 0.0190200 0.0898060 0.0200327 4.7886490 4 La 5.3950456 -0.4902918 -0.2050471 -0.4108593 3.8504006 0.0653118 -0.0818376 -0.0312877 3.5504232 5 Ta 5.5945181 -0.4594773 0.2890726 0.4669686 6.8540151 -0.0672417 -1.1987216 -0.0872882 7.1973289 6 Ta 6.1349234 0.0663836 -0.1373538 0.8107637 7.2742409 -0.1197700 1.3450062 0.2084061 7.7526941 7 Ta 6.4365310 0.2757618 0.0248869 -1.3420689 6.1094524 0.0669331 1.5436781 0.2497965 8.7680610 8 Ta 5.4851107 0.5680358 0.2041562 -0.7739240 6.8347284 -0.1184263 -1.5171074 -0.0803444 9.0444165 9 Ta 6.1349234 -0.0663836 -0.1373538 -0.8107637 7.2742409 0.1197700 1.3450062 -0.2084061 7.7526941 10 Ta 5.5945181 0.4594773 0.2890726 -0.4669686 6.8540151 0.0672417 -1.1987216 0.0872882 7.1973289 11 Ta 6.4365310 -0.2757618 0.0248869 1.3420689 6.1094524 -0.0669331 1.5436781 -0.2497965 8.7680610 12 Ta 5.4851107 -0.5680358 0.2041562 0.7739240 6.8347284 0.1184263 -1.5171074 0.0803444 9.0444165 13 N -4.1704465 1.7850351 0.3113714 2.1803607 -4.1275293 0.5828060 0.0256622 0.6523520 -1.7871234 14 N -2.3465561 0.2817582 -0.4611947 0.5164504 -1.4880906 0.3272760 -0.0226600 0.0535398 -7.2541248 15 N -4.1704465 -1.7850351 0.3113714 -2.1803607 -4.1275293 -0.5828060 0.0256622 -0.6523520 -1.7871234 16 N -2.3465561 -0.2817582 -0.4611947 -0.5164504 -1.4880906 -0.3272760 -0.0226600 -0.0535398 -7.2541248 17 O -2.6623745 -0.3024089 -0.1638705 -0.9371758 -3.5936705 -0.2909970 0.0141668 -0.3293345 -2.1746068 18 O -2.9602508 -0.6305090 0.2334259 -1.0127783 -3.3598260 0.3124077 0.0596807 0.3465363 -2.1440869 19 O -1.8331312 0.4859787 0.1842185 0.6032457 -1.8453244 -0.3989152 -0.0069762 -0.0962587 -5.0649092 20 O -1.7774335 -0.2948116 -0.2955907 -0.5009247 -1.3870482 0.3932478 -0.1424788 0.1256002 -6.2164631 21 O -3.4491815 -1.7829727 0.2115288 -1.7743752 -3.6282461 -0.4788847 0.0178268 -0.9374976 -1.7955043 22 O -3.8094727 -1.8897043 -0.1863546 -1.3921112 -2.9575407 0.5285112 -0.1117724 0.7687919 -1.8234349 23 O -3.2464102 1.4033958 -0.1648014 1.8062291 -3.6166646 -0.4549393 0.0422781 -0.7206704 -1.6462480 24 O -2.0212935 -0.7308266 0.1787172 -0.5238575 -1.9893610 -0.2027229 0.1170111 -0.1478356 -6.4397299 25 O -3.0019762 0.4990124 -0.5441757 0.7910558 -3.2788289 0.4377723 -0.6062408 0.5435751 -2.4238253 26 O -3.0886693 0.2937051 0.4574535 0.3511878 -3.5104490 -0.3111705 0.4326788 -0.4343542 -2.3315162 27 O -2.9602508 0.6305090 0.2334259 1.0127783 -3.3598260 -0.3124077 0.0596807 -0.3465363 -2.1440869 28 O -2.6623745 0.3024089 -0.1638705 0.9371758 -3.5936705 0.2909970 0.0141668 0.3293345 -2.1746068 29 O -1.8331312 -0.4859787 0.1842185 -0.6032457 -1.8453244 0.3989152 -0.0069762 0.0962587 -5.0649092 30 O -1.7774335 0.2948116 -0.2955907 0.5009247 -1.3870482 -0.3932478 -0.1424788 -0.1256002 -6.2164631 31 O -3.8094727 1.8897043 -0.1863546 1.3921112 -2.9575407 -0.5285112 -0.1117724 -0.7687919 -1.8234349 32 O -3.4491815 1.7829727 0.2115288 1.7743752 -3.6282461 0.4788847 0.0178268 0.9374976 -1.7955043 33 O -3.2464102 -1.4033958 -0.1648014 -1.8062291 -3.6166646 0.4549393 0.0422781 0.7206704 -1.6462480 34 O -2.0212935 0.7308266 0.1787172 0.5238575 -1.9893610 0.2027229 0.1170111 0.1478356 -6.4397299 35 O -3.0886693 -0.2937051 0.4574535 -0.3511878 -3.5104490 0.3111705 0.4326788 0.4343542 -2.3315162 36 O -3.0019762 -0.4990124 -0.5441757 -0.7910558 -3.2788289 -0.4377723 -0.6062408 -0.5435751 -2.4238253 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (xxx) 0.00000002 (xxx) 0.00000002 (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 ... [ 9 4 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: 0.54, Number of G-points: 291, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 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 1.724 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.138 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.403 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.908 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.738 ( 0.000 0.000 0.000) 0.000 3.911 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.076 ( 0.000 0.000 0.000) 0.000 4.419 ( 0.000 0.000 0.000) 0.000 4.676 ( 0.000 0.000 0.000) 0.000 4.869 ( 0.000 0.000 0.000) 0.000 4.902 ( 0.000 0.000 0.000) 0.000 4.970 ( 0.000 0.000 0.000) 0.000 5.036 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.310 ( 0.000 0.000 0.000) 0.000 5.352 ( 0.000 0.000 0.000) 0.000 5.435 ( 0.000 0.000 0.000) 0.000 5.790 ( 0.000 0.000 0.000) 0.000 5.864 ( 0.000 0.000 0.000) 0.000 5.940 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 6.095 ( 0.000 0.000 0.000) 0.000 6.270 ( 0.000 0.000 0.000) 0.000 6.285 ( 0.000 0.000 0.000) 0.000 6.600 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.934 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.834 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 8.122 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.807 ( 0.000 0.000 0.000) 0.000 8.887 ( 0.000 0.000 0.000) 0.000 8.996 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.527 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.698 ( 0.000 0.000 0.000) 0.000 10.041 ( 0.000 0.000 0.000) 0.000 10.045 ( 0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 10.271 ( 0.000 0.000 0.000) 0.000 10.352 ( 0.000 0.000 0.000) 0.000 10.451 ( 0.000 0.000 0.000) 0.000 10.542 ( 0.000 0.000 0.000) 0.000 10.700 ( 0.000 0.000 0.000) 0.000 10.935 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 11.277 ( 0.000 0.000 0.000) 0.000 11.279 ( 0.000 0.000 0.000) 0.000 11.588 ( 0.000 0.000 0.000) 0.000 11.884 ( 0.000 0.000 0.000) 0.000 12.023 ( 0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 0.000) 0.000 12.699 ( 0.000 0.000 0.000) 0.000 12.940 ( 0.000 0.000 0.000) 0.000 13.062 ( 0.000 0.000 0.000) 0.000 13.167 ( 0.000 0.000 0.000) 0.000 13.386 ( 0.000 0.000 0.000) 0.000 13.638 ( 0.000 0.000 0.000) 0.000 13.790 ( 0.000 0.000 0.000) 0.000 14.035 ( 0.000 0.000 0.000) 0.000 14.089 ( 0.000 0.000 0.000) 0.000 14.253 ( 0.000 0.000 0.000) 0.000 14.633 ( 0.000 0.000 0.000) 0.000 14.827 ( 0.000 0.000 0.000) 0.000 15.013 ( 0.000 0.000 0.000) 0.000 15.054 ( 0.000 0.000 0.000) 0.000 15.628 ( 0.000 0.000 0.000) 0.000 15.704 ( 0.000 0.000 0.000) 0.000 15.925 ( 0.000 0.000 0.000) 0.000 16.265 ( 0.000 0.000 0.000) 0.000 16.430 ( 0.000 0.000 0.000) 0.000 17.154 ( 0.000 0.000 0.000) 0.000 17.638 ( 0.000 0.000 0.000) 0.000 18.384 ( 0.000 0.000 0.000) 0.000 18.494 ( 0.000 0.000 0.000) 0.000 18.638 ( 0.000 0.000 0.000) 0.000 18.805 ( 0.000 0.000 0.000) 0.000 19.234 ( 0.000 0.000 0.000) 0.000 19.456 ( 0.000 0.000 0.000) 0.000 19.940 ( 0.000 0.000 0.000) 0.000 20.475 ( 0.000 0.000 0.000) 0.000 20.499 ( 0.000 0.000 0.000) 0.000 24.595 ( 0.000 0.000 0.000) 0.000 25.018 ( 0.000 0.000 0.000) 0.000 26.457 ( 0.000 0.000 0.000) 0.000 27.311 ( 0.000 0.000 0.000) 0.000 28.786 ( 0.000 0.000 0.000) 0.000 28.979 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 31.630 0.000 -6.358) 32.263 0.701 ( 31.605 0.000 -4.832) 31.972 1.118 ( 53.975 0.000 -1.676) 54.001 1.765 ( 3.984 0.000 0.355) 3.999 2.086 ( -0.679 0.000 1.289) 1.457 2.158 ( 1.216 0.000 -6.896) 7.002 2.264 ( -5.022 0.000 -6.516) 8.226 2.357 ( -2.289 0.000 6.772) 7.148 2.557 ( -0.892 0.000 1.125) 1.435 2.750 ( 2.269 0.000 -0.083) 2.271 2.811 ( -3.870 0.000 -1.313) 4.087 3.011 ( 1.218 0.000 -0.809) 1.462 3.355 ( 5.680 0.000 0.831) 5.740 3.457 ( -7.318 0.000 -3.559) 8.137 3.527 ( -2.054 0.000 2.317) 3.096 3.596 ( -2.260 0.000 1.957) 2.990 3.685 ( -11.204 0.000 1.174) 11.266 3.849 ( -6.406 0.000 4.625) 7.901 3.899 ( 1.221 0.000 -0.310) 1.260 3.996 ( -6.619 0.000 0.134) 6.620 4.415 ( -1.290 0.000 1.629) 2.078 4.728 ( 0.518 0.000 -1.904) 1.973 4.819 ( -2.398 0.000 -4.459) 5.063 4.889 ( -3.864 0.000 0.517) 3.898 4.983 ( 0.387 0.000 1.579) 1.626 5.100 ( 0.719 0.000 6.512) 6.551 5.213 ( -0.556 0.000 0.384) 0.676 5.281 ( -2.533 0.000 3.542) 4.355 5.565 ( 7.604 0.000 1.093) 7.682 5.617 ( 0.700 0.000 -0.977) 1.202 5.750 ( -7.202 0.000 -2.303) 7.561 5.943 ( -0.996 0.000 0.460) 1.097 5.983 ( 1.947 0.000 1.736) 2.609 6.140 ( 4.401 0.000 -2.586) 5.104 6.235 ( -0.299 0.000 24.994) 24.996 6.284 ( -1.197 0.000 5.026) 5.167 6.330 ( 4.901 0.000 -3.933) 6.284 6.670 ( 5.413 0.000 -18.650) 19.419 6.899 ( -0.664 0.000 0.142) 0.679 6.988 ( 4.499 0.000 -2.204) 5.010 7.330 ( -2.209 0.000 -1.151) 2.491 7.454 ( -0.457 0.000 3.890) 3.917 7.496 ( -2.663 0.000 -1.566) 3.089 7.809 ( -3.927 0.000 -4.671) 6.102 7.840 ( -1.298 0.000 1.385) 1.898 8.168 ( 0.851 0.000 0.882) 1.226 8.506 ( -1.709 0.000 0.552) 1.796 8.756 ( -4.344 0.000 4.756) 6.441 8.946 ( 1.754 0.000 0.559) 1.841 9.052 ( 2.986 0.000 9.328) 9.794 9.213 ( 2.725 0.000 5.267) 5.930 9.264 ( -0.104 0.000 -8.578) 8.579 9.564 ( -0.405 0.000 0.811) 0.907 9.613 ( 1.915 0.000 2.057) 2.810 9.882 ( -6.360 0.000 4.978) 8.076 10.029 ( -1.911 0.000 2.355) 3.033 10.127 ( 2.867 0.000 -7.660) 8.179 10.187 ( -0.365 0.000 5.932) 5.943 10.282 ( -1.474 0.000 -15.488) 15.558 10.334 ( 2.552 0.000 7.475) 7.898 10.463 ( -0.995 0.000 -2.879) 3.046 10.497 ( 2.011 0.000 3.313) 3.876 10.605 ( 1.882 0.000 -0.268) 1.901 10.695 ( -1.397 0.000 4.242) 4.466 11.022 ( -4.932 0.000 2.139) 5.376 11.257 ( 1.972 0.000 -2.049) 2.843 11.366 ( 4.516 0.000 -4.122) 6.114 11.579 ( 2.784 0.000 -10.963) 11.311 11.679 ( 4.804 0.000 2.770) 5.546 11.969 ( -3.333 0.000 -0.133) 3.336 12.454 ( -0.638 0.000 3.657) 3.712 12.508 ( 3.734 0.000 -1.050) 3.879 12.899 ( -3.336 0.000 -1.479) 3.649 13.059 ( -1.978 0.000 -0.495) 2.039 13.101 ( -3.059 0.000 -0.455) 3.093 13.337 ( -3.080 0.000 3.302) 4.516 13.604 ( 0.249 0.000 -1.669) 1.687 13.772 ( -1.797 0.000 0.699) 1.928 13.983 ( -3.906 0.000 13.699) 14.245 14.034 ( -0.790 0.000 4.464) 4.534 14.112 ( 6.726 0.000 3.987) 7.819 14.595 ( -1.160 0.000 2.817) 3.046 14.822 ( -0.966 0.000 -7.787) 7.847 15.011 ( 0.001 0.000 0.248) 0.248 15.053 ( 0.708 0.000 -5.802) 5.845 15.218 ( 4.694 0.000 7.944) 9.227 15.618 ( -1.126 0.000 -5.054) 5.178 15.929 ( 1.515 0.000 -46.171) 46.195 15.955 ( 3.181 0.000 -25.224) 25.424 16.313 ( 0.075 0.000 40.881) 40.881 16.465 ( 2.777 0.000 -5.247) 5.937 17.065 ( -9.083 0.000 4.734) 10.242 17.630 ( -0.755 0.000 0.549) 0.933 18.380 ( -1.019 0.000 1.410) 1.740 18.478 ( -2.115 0.000 6.041) 6.401 18.657 ( -12.251 0.000 -4.268) 12.973 19.038 ( -13.482 0.000 1.358) 13.550 19.292 ( 0.644 0.000 -13.110) 13.126 19.436 ( -3.066 0.000 -9.097) 9.600 19.980 ( -13.095 0.000 -11.142) 17.194 21.249 ( 38.446 0.000 10.101) 39.751 22.907 ( 0.208 0.000 21.581) 21.582 24.580 ( -1.461 0.000 -0.472) 1.535 24.987 ( -3.597 0.000 -1.111) 3.765 26.467 ( 0.976 0.000 -0.787) 1.254 27.346 ( -4.307 0.000 17.912) 18.423 28.798 ( 1.054 0.000 -1.150) 1.560 29.202 ( -4.672 0.000 -8.623) 9.807 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 27.063 0.000 -6.335) 27.795 1.308 ( 27.980 0.000 -3.031) 28.143 1.865 ( 6.910 0.000 2.424) 7.323 2.036 ( -3.673 0.000 -1.322) 3.904 2.112 ( 1.754 0.000 -7.152) 7.364 2.153 ( 28.111 0.000 1.268) 28.139 2.224 ( 8.903 0.000 -5.433) 10.430 2.375 ( 6.571 0.000 1.056) 6.655 2.514 ( -1.709 0.000 -0.061) 1.710 2.766 ( 0.283 0.000 0.155) 0.322 2.886 ( 7.813 0.000 -0.347) 7.821 3.000 ( -2.864 0.000 -0.714) 2.952 3.259 ( -10.675 0.000 -7.348) 12.960 3.360 ( -12.668 0.000 2.467) 12.906 3.387 ( -5.743 0.000 2.881) 6.425 3.473 ( -4.257 0.000 0.151) 4.260 3.538 ( -4.304 0.000 2.817) 5.144 3.648 ( -10.068 0.000 -0.631) 10.087 3.817 ( -8.386 0.000 2.733) 8.820 4.038 ( 3.857 0.000 -0.652) 3.911 4.427 ( 3.269 0.000 2.693) 4.235 4.550 ( -9.390 0.000 -2.467) 9.709 4.791 ( -5.948 0.000 4.541) 7.483 4.848 ( -8.107 0.000 -3.499) 8.830 4.911 ( 0.528 0.000 0.914) 1.055 5.052 ( -1.661 0.000 -0.262) 1.682 5.283 ( 2.103 0.000 0.020) 2.103 5.363 ( 8.846 0.000 1.494) 8.971 5.570 ( -3.123 0.000 0.771) 3.217 5.630 ( -4.007 0.000 -0.395) 4.026 5.696 ( 5.536 0.000 0.777) 5.590 5.950 ( 2.660 0.000 -0.761) 2.767 6.050 ( 2.960 0.000 1.040) 3.137 6.156 ( -5.944 0.000 0.963) 6.022 6.253 ( 5.001 0.000 0.694) 5.049 6.293 ( 1.988 0.000 9.658) 9.861 6.439 ( 5.130 0.000 -4.374) 6.742 6.802 ( 6.742 0.000 -6.475) 9.348 6.895 ( 0.650 0.000 -0.973) 1.170 7.089 ( 4.575 0.000 -2.463) 5.196 7.289 ( -1.217 0.000 -1.295) 1.777 7.422 ( -2.371 0.000 4.630) 5.202 7.450 ( -1.426 0.000 -4.250) 4.483 7.706 ( -5.708 0.000 -0.940) 5.784 7.819 ( -0.449 0.000 2.882) 2.917 8.175 ( -0.504 0.000 -1.890) 1.956 8.446 ( -4.671 0.000 -0.673) 4.720 8.666 ( -4.041 0.000 1.460) 4.297 8.936 ( -1.240 0.000 1.035) 1.615 9.160 ( 5.307 0.000 6.929) 8.728 9.199 ( -5.774 0.000 -13.262) 14.464 9.272 ( 2.475 0.000 6.689) 7.132 9.559 ( -0.133 0.000 -2.262) 2.266 9.657 ( 1.826 0.000 1.418) 2.312 9.802 ( -0.776 0.000 5.008) 5.068 9.964 ( -3.767 0.000 0.134) 3.770 10.131 ( -0.882 0.000 -2.984) 3.111 10.220 ( 2.072 0.000 -6.013) 6.360 10.286 ( 1.796 0.000 -3.844) 4.243 10.373 ( 0.868 0.000 5.527) 5.595 10.429 ( -2.418 0.000 -1.577) 2.886 10.518 ( 1.327 0.000 1.892) 2.311 10.618 ( -5.181 0.000 9.038) 10.417 10.690 ( 4.359 0.000 1.237) 4.532 10.936 ( -3.397 0.000 -0.855) 3.503 11.265 ( -3.150 0.000 -2.273) 3.885 11.433 ( 2.621 0.000 -4.800) 5.469 11.686 ( 3.507 0.000 -1.910) 3.993 11.724 ( 3.696 0.000 -2.006) 4.206 11.990 ( 5.615 0.000 -1.927) 5.936 12.439 ( 0.237 0.000 3.183) 3.191 12.602 ( 3.871 0.000 0.482) 3.901 12.793 ( -7.156 0.000 2.469) 7.570 12.994 ( -0.690 0.000 -6.093) 6.132 13.064 ( -3.012 0.000 1.512) 3.370 13.295 ( -0.977 0.000 3.246) 3.390 13.625 ( 2.430 0.000 3.542) 4.295 13.688 ( -6.447 0.000 1.885) 6.717 13.856 ( -5.508 0.000 -3.672) 6.620 14.077 ( 3.245 0.000 3.909) 5.081 14.270 ( 7.882 0.000 1.337) 7.995 14.573 ( -1.548 0.000 4.537) 4.793 14.783 ( -1.936 0.000 -6.020) 6.324 15.033 ( 1.823 0.000 -4.085) 4.473 15.087 ( 3.001 0.000 1.678) 3.438 15.319 ( 4.388 0.000 4.919) 6.592 15.577 ( -2.717 0.000 -7.274) 7.765 15.957 ( 1.171 0.000 -19.376) 19.411 16.035 ( 4.231 0.000 -10.895) 11.688 16.324 ( 0.783 0.000 18.583) 18.599 16.513 ( 1.284 0.000 -8.730) 8.824 16.827 ( -12.698 0.000 3.956) 13.300 17.613 ( -0.748 0.000 1.216) 1.428 18.272 ( -9.882 0.000 4.715) 10.950 18.404 ( -6.213 0.000 -1.130) 6.315 18.475 ( -2.142 0.000 1.760) 2.772 18.785 ( -10.366 0.000 0.377) 10.373 19.171 ( -11.858 0.000 -2.408) 12.100 19.409 ( 0.994 0.000 -11.440) 11.483 19.869 ( -0.823 0.000 -4.589) 4.662 21.964 ( 30.820 0.000 6.341) 31.465 22.914 ( 0.452 0.000 8.413) 8.425 24.542 ( -1.962 0.000 -0.857) 2.141 24.885 ( -6.200 0.000 -0.306) 6.207 26.491 ( 1.290 0.000 -1.182) 1.750 27.236 ( -6.093 0.000 3.962) 7.268 28.822 ( 1.153 0.000 -2.679) 2.917 29.087 ( -5.962 0.000 -0.909) 6.030 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 18.017 0.000 -4.607) 18.597 1.834 ( 21.582 0.000 -0.349) 21.584 1.941 ( 2.128 0.000 -2.157) 3.030 2.009 ( 5.990 0.000 0.847) 6.050 2.140 ( 2.304 0.000 -3.124) 3.881 2.229 ( 0.719 0.000 -1.864) 1.998 2.419 ( 5.889 0.000 -1.633) 6.111 2.515 ( 1.467 0.000 -1.684) 2.233 2.623 ( -10.093 0.000 -0.105) 10.093 2.862 ( 0.614 0.000 -0.557) 0.829 2.889 ( -2.680 0.000 -0.875) 2.819 3.048 ( 4.472 0.000 0.202) 4.477 3.169 ( 6.663 0.000 -2.671) 7.178 3.243 ( -2.449 0.000 2.032) 3.183 3.268 ( 0.908 0.000 4.017) 4.119 3.320 ( -9.263 0.000 -0.714) 9.291 3.450 ( -3.899 0.000 1.388) 4.139 3.489 ( -5.606 0.000 -1.401) 5.779 3.727 ( 4.227 0.000 1.810) 4.598 3.869 ( -16.937 0.000 -1.446) 16.999 4.407 ( -13.263 0.000 0.663) 13.279 4.576 ( 7.940 0.000 2.863) 8.440 4.625 ( 4.225 0.000 -2.746) 5.039 4.813 ( 2.545 0.000 -1.066) 2.760 4.935 ( 1.157 0.000 -0.450) 1.242 5.063 ( 1.796 0.000 -0.158) 1.803 5.218 ( -7.520 0.000 2.316) 7.869 5.379 ( -4.295 0.000 0.220) 4.300 5.517 ( -5.473 0.000 -1.393) 5.648 5.705 ( 9.724 0.000 1.092) 9.785 5.831 ( 4.489 0.000 0.135) 4.491 5.959 ( -7.211 0.000 -0.739) 7.248 5.999 ( 1.067 0.000 2.571) 2.784 6.127 ( 2.103 0.000 1.991) 2.896 6.336 ( 2.711 0.000 4.602) 5.341 6.368 ( 5.000 0.000 -1.520) 5.226 6.526 ( 3.442 0.000 -2.671) 4.356 6.900 ( 2.685 0.000 -4.992) 5.668 6.937 ( 2.779 0.000 1.192) 3.024 7.132 ( -0.462 0.000 -4.023) 4.050 7.308 ( 3.140 0.000 -1.464) 3.465 7.400 ( 1.095 0.000 -2.478) 2.709 7.438 ( 0.392 0.000 2.767) 2.795 7.595 ( -4.845 0.000 1.927) 5.214 7.826 ( 1.000 0.000 2.598) 2.784 8.121 ( -6.139 0.000 -1.207) 6.257 8.315 ( -6.738 0.000 -2.319) 7.126 8.608 ( -1.710 0.000 -0.672) 1.838 8.920 ( -0.119 0.000 1.242) 1.247 9.069 ( -5.549 0.000 -10.828) 12.168 9.230 ( 1.053 0.000 7.680) 7.752 9.306 ( 1.045 0.000 4.646) 4.762 9.561 ( 0.453 0.000 -1.819) 1.875 9.670 ( -0.383 0.000 -2.008) 2.044 9.820 ( 1.502 0.000 7.652) 7.798 9.919 ( -0.441 0.000 -7.794) 7.807 10.146 ( 2.372 0.000 -0.202) 2.380 10.218 ( -1.827 0.000 -7.191) 7.419 10.327 ( 1.432 0.000 5.822) 5.995 10.357 ( -3.933 0.000 1.052) 4.072 10.379 ( -0.946 0.000 -3.641) 3.762 10.507 ( -4.445 0.000 9.407) 10.404 10.570 ( 3.812 0.000 1.763) 4.200 10.775 ( 3.867 0.000 4.328) 5.804 10.871 ( -3.509 0.000 -2.970) 4.597 11.160 ( -5.692 0.000 -4.237) 7.096 11.434 ( -1.998 0.000 -2.028) 2.847 11.675 ( -0.349 0.000 0.480) 0.594 11.944 ( 13.030 0.000 -6.184) 14.423 12.122 ( 6.382 0.000 -0.512) 6.402 12.445 ( -0.878 0.000 1.805) 2.007 12.637 ( -0.023 0.000 1.742) 1.742 12.648 ( -6.467 0.000 3.423) 7.317 12.993 ( -0.852 0.000 -0.785) 1.158 13.012 ( -1.753 0.000 -2.122) 2.752 13.300 ( 1.797 0.000 3.086) 3.571 13.562 ( -4.471 0.000 0.278) 4.480 13.639 ( -3.509 0.000 1.448) 3.796 13.843 ( 5.950 0.000 -4.373) 7.384 14.139 ( 2.426 0.000 2.269) 3.322 14.374 ( -0.912 0.000 -1.657) 1.892 14.539 ( 1.135 0.000 5.805) 5.915 14.779 ( 1.484 0.000 -3.233) 3.558 15.057 ( 0.659 0.000 -0.158) 0.678 15.189 ( 6.220 0.000 4.623) 7.750 15.360 ( -1.039 0.000 -9.189) 9.247 15.539 ( 0.412 0.000 -1.323) 1.386 15.959 ( -1.592 0.000 -6.684) 6.871 16.109 ( 2.763 0.000 -2.067) 3.450 16.333 ( -0.698 0.000 9.134) 9.161 16.478 ( -3.995 0.000 -12.071) 12.714 16.648 ( -3.536 0.000 2.695) 4.446 17.608 ( 0.485 0.000 1.928) 1.988 18.096 ( -6.554 0.000 2.393) 6.977 18.272 ( -5.576 0.000 -0.505) 5.599 18.467 ( 0.060 0.000 4.048) 4.048 18.622 ( -5.753 0.000 -0.989) 5.837 18.892 ( -14.293 0.000 -2.716) 14.549 19.437 ( 1.449 0.000 -6.178) 6.346 19.875 ( 0.684 0.000 -1.848) 1.971 22.481 ( 19.722 0.000 2.869) 19.930 22.925 ( 0.632 0.000 4.375) 4.421 24.510 ( -0.932 0.000 -1.077) 1.424 24.747 ( -6.978 0.000 -0.261) 6.983 26.515 ( 0.915 0.000 -1.024) 1.373 27.120 ( -4.873 0.000 0.328) 4.884 28.841 ( 0.695 0.000 -4.379) 4.433 28.979 ( -4.415 0.000 2.805) 5.231 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( 9.114 0.000 3.024) 9.603 2.004 ( 6.033 0.000 -6.315) 8.733 2.070 ( 0.399 0.000 1.272) 1.333 2.160 ( 0.675 0.000 -1.610) 1.745 2.205 ( -3.102 0.000 -2.084) 3.737 2.296 ( -0.926 0.000 2.252) 2.435 2.394 ( 12.213 0.000 -0.844) 12.242 2.560 ( 4.292 0.000 -3.887) 5.791 2.602 ( 3.642 0.000 1.047) 3.790 2.779 ( -6.469 0.000 0.566) 6.494 2.795 ( -4.689 0.000 1.438) 4.905 2.922 ( -10.442 0.000 -0.126) 10.442 3.165 ( -3.033 0.000 -0.631) 3.098 3.205 ( 1.402 0.000 -1.922) 2.379 3.287 ( 1.067 0.000 2.206) 2.451 3.373 ( 1.619 0.000 4.401) 4.689 3.385 ( -1.880 0.000 0.123) 1.884 3.482 ( 4.438 0.000 -2.017) 4.875 3.527 ( -7.549 0.000 -1.032) 7.619 3.787 ( -11.520 0.000 -0.403) 11.527 4.390 ( 17.783 0.000 0.545) 17.792 4.673 ( 0.540 0.000 3.603) 3.644 4.729 ( -0.382 0.000 -5.686) 5.699 4.872 ( 0.829 0.000 -2.122) 2.278 4.937 ( -2.958 0.000 0.375) 2.981 4.998 ( -3.762 0.000 3.111) 4.882 5.238 ( 9.087 0.000 0.030) 9.087 5.321 ( 0.376 0.000 -0.200) 0.426 5.393 ( -3.698 0.000 0.563) 3.741 5.612 ( -15.473 0.000 -0.161) 15.474 5.885 ( 5.605 0.000 0.312) 5.614 5.971 ( -0.939 0.000 0.071) 0.942 6.058 ( 4.755 0.000 0.584) 4.791 6.150 ( -0.171 0.000 1.011) 1.025 6.373 ( 0.818 0.000 1.760) 1.941 6.447 ( 2.174 0.000 -1.741) 2.785 6.578 ( 1.497 0.000 -0.101) 1.501 6.927 ( 0.010 0.000 -2.516) 2.516 6.969 ( 0.717 0.000 1.462) 1.628 7.112 ( -0.718 0.000 -2.126) 2.244 7.387 ( 3.941 0.000 -2.518) 4.677 7.436 ( 0.797 0.000 -8.195) 8.233 7.468 ( -0.814 0.000 10.660) 10.691 7.558 ( 5.056 0.000 0.740) 5.110 7.845 ( -0.233 0.000 6.468) 6.472 7.908 ( -11.155 0.000 -6.559) 12.941 8.236 ( -1.495 0.000 -0.680) 1.642 8.587 ( -0.457 0.000 -0.483) 0.665 8.932 ( 0.914 0.000 1.565) 1.812 8.992 ( -2.057 0.000 -5.836) 6.187 9.224 ( -0.787 0.000 3.587) 3.673 9.320 ( 0.282 0.000 1.781) 1.803 9.576 ( 0.729 0.000 0.404) 0.834 9.654 ( -0.773 0.000 -2.216) 2.347 9.865 ( 2.778 0.000 11.522) 11.852 9.914 ( -0.896 0.000 -13.145) 13.176 10.182 ( -0.121 0.000 0.364) 0.383 10.185 ( -0.447 0.000 -2.493) 2.533 10.266 ( -3.099 0.000 0.275) 3.111 10.339 ( 0.510 0.000 3.323) 3.362 10.369 ( -0.538 0.000 0.105) 0.548 10.453 ( -1.161 0.000 2.455) 2.716 10.664 ( 4.864 0.000 2.061) 5.283 10.784 ( -4.513 0.000 -3.405) 5.653 10.846 ( 2.447 0.000 3.744) 4.473 11.068 ( -2.876 0.000 -3.254) 4.343 11.398 ( -1.023 0.000 -0.682) 1.229 11.672 ( -0.054 0.000 0.019) 0.057 12.184 ( 9.282 0.000 -5.928) 11.014 12.236 ( 4.190 0.000 1.040) 4.318 12.380 ( -4.801 0.000 2.483) 5.405 12.536 ( -4.085 0.000 2.195) 4.638 12.640 ( 0.401 0.000 0.712) 0.817 12.949 ( -2.612 0.000 0.197) 2.620 12.992 ( 0.084 0.000 -0.560) 0.567 13.353 ( 2.180 0.000 0.969) 2.386 13.516 ( -0.478 0.000 -0.087) 0.486 13.553 ( -3.258 0.000 -0.514) 3.299 14.015 ( 8.918 0.000 -2.621) 9.295 14.169 ( 0.630 0.000 0.913) 1.109 14.245 ( -8.390 0.000 1.145) 8.468 14.609 ( 2.738 0.000 1.404) 3.077 14.818 ( 1.605 0.000 -1.633) 2.289 15.069 ( 0.477 0.000 1.846) 1.907 15.283 ( 2.166 0.000 4.045) 4.588 15.309 ( -2.234 0.000 -6.721) 7.083 15.618 ( 6.173 0.000 -1.639) 6.387 15.871 ( -6.178 0.000 0.346) 6.188 16.146 ( 0.968 0.000 -0.748) 1.223 16.283 ( -2.313 0.000 1.449) 2.729 16.459 ( 1.031 0.000 -3.819) 3.956 16.614 ( -0.836 0.000 0.261) 0.876 17.632 ( 1.335 0.000 1.420) 1.949 17.986 ( -3.965 0.000 -0.211) 3.970 18.226 ( 0.761 0.000 1.028) 1.279 18.466 ( -0.104 0.000 2.100) 2.102 18.553 ( -0.767 0.000 0.383) 0.857 18.637 ( -9.263 0.000 -2.912) 9.709 19.460 ( 0.657 0.000 -1.958) 2.065 19.886 ( 0.309 0.000 -0.524) 0.608 22.754 ( 6.819 0.000 0.072) 6.820 22.938 ( 0.486 0.000 2.220) 2.273 24.513 ( 1.099 0.000 -0.733) 1.321 24.622 ( -4.540 0.000 0.032) 4.540 26.527 ( 0.299 0.000 -0.402) 0.501 27.050 ( -1.793 0.000 -0.134) 1.798 28.851 ( 0.366 0.000 -3.634) 3.653 28.915 ( -1.749 0.000 3.157) 3.609 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.595 ( 0.000 27.190 0.000) 27.190 0.749 ( 0.000 31.550 0.000) 31.550 1.196 ( 0.000 50.174 0.000) 50.174 1.554 ( 0.000 -13.777 0.000) 13.777 2.092 ( 0.000 -23.079 0.000) 23.079 2.166 ( 0.000 2.897 0.000) 2.897 2.174 ( 0.000 1.824 0.000) 1.824 2.404 ( 0.000 6.671 0.000) 6.671 2.593 ( 0.000 6.415 0.000) 6.415 2.669 ( 0.000 -0.653 0.000) 0.653 3.052 ( 0.000 3.875 0.000) 3.875 3.182 ( 0.000 -6.194 0.000) 6.194 3.213 ( 0.000 1.266 0.000) 1.266 3.384 ( 0.000 -0.029 0.000) 0.029 3.573 ( 0.000 -1.243 0.000) 1.243 3.607 ( 0.000 0.593 0.000) 0.593 3.795 ( 0.000 -4.443 0.000) 4.443 3.868 ( 0.000 1.225 0.000) 1.225 3.885 ( 0.000 -16.475 0.000) 16.475 3.992 ( 0.000 -7.776 0.000) 7.776 4.100 ( 0.000 3.010 0.000) 3.010 4.646 ( 0.000 -14.023 0.000) 14.023 4.787 ( 0.000 -2.999 0.000) 2.999 4.885 ( 0.000 -2.727 0.000) 2.727 5.010 ( 0.000 6.813 0.000) 6.813 5.109 ( 0.000 2.160 0.000) 2.160 5.211 ( 0.000 10.019 0.000) 10.019 5.349 ( 0.000 1.559 0.000) 1.559 5.426 ( 0.000 4.935 0.000) 4.935 5.546 ( 0.000 0.536 0.000) 0.536 5.819 ( 0.000 2.646 0.000) 2.646 5.958 ( 0.000 -1.245 0.000) 1.245 5.966 ( 0.000 1.884 0.000) 1.884 6.009 ( 0.000 -0.100 0.000) 0.100 6.105 ( 0.000 0.830 0.000) 0.830 6.166 ( 0.000 -5.143 0.000) 5.143 6.788 ( 0.000 5.819 0.000) 5.819 6.807 ( 0.000 -3.941 0.000) 3.941 6.913 ( 0.000 5.249 0.000) 5.249 7.165 ( 0.000 6.431 0.000) 6.431 7.281 ( 0.000 -3.401 0.000) 3.401 7.468 ( 0.000 1.821 0.000) 1.821 7.723 ( 0.000 -8.324 0.000) 8.324 7.812 ( 0.000 -4.275 0.000) 4.275 8.152 ( 0.000 2.388 0.000) 2.388 8.267 ( 0.000 -1.392 0.000) 1.392 8.700 ( 0.000 2.477 0.000) 2.477 8.830 ( 0.000 0.944 0.000) 0.944 9.014 ( 0.000 7.104 0.000) 7.104 9.067 ( 0.000 5.481 0.000) 5.481 9.295 ( 0.000 6.682 0.000) 6.682 9.442 ( 0.000 -5.867 0.000) 5.867 9.513 ( 0.000 -3.506 0.000) 3.506 9.627 ( 0.000 -5.294 0.000) 5.294 9.921 ( 0.000 -5.618 0.000) 5.618 10.014 ( 0.000 -4.435 0.000) 4.435 10.107 ( 0.000 2.984 0.000) 2.984 10.172 ( 0.000 -0.045 0.000) 0.045 10.278 ( 0.000 0.890 0.000) 0.890 10.335 ( 0.000 -0.042 0.000) 0.042 10.398 ( 0.000 5.079 0.000) 5.079 10.457 ( 0.000 0.088 0.000) 0.088 10.517 ( 0.000 -1.981 0.000) 1.981 10.666 ( 0.000 -3.251 0.000) 3.251 10.977 ( 0.000 2.995 0.000) 2.995 11.067 ( 0.000 -1.820 0.000) 1.820 11.286 ( 0.000 0.572 0.000) 0.572 11.305 ( 0.000 0.449 0.000) 0.449 11.874 ( 0.000 0.064 0.000) 0.064 11.948 ( 0.000 -0.286 0.000) 0.286 12.511 ( 0.000 -0.941 0.000) 0.941 12.548 ( 0.000 3.938 0.000) 3.938 12.722 ( 0.000 3.175 0.000) 3.175 12.946 ( 0.000 -2.723 0.000) 2.723 13.061 ( 0.000 0.661 0.000) 0.661 13.207 ( 0.000 -1.874 0.000) 1.874 13.685 ( 0.000 3.469 0.000) 3.469 13.755 ( 0.000 -0.003 0.000) 0.003 13.929 ( 0.000 4.478 0.000) 4.478 14.058 ( 0.000 1.672 0.000) 1.672 14.184 ( 0.000 1.270 0.000) 1.270 14.225 ( 0.000 -1.538 0.000) 1.538 14.561 ( 0.000 -4.488 0.000) 4.488 14.876 ( 0.000 -13.328 0.000) 13.328 15.108 ( 0.000 7.074 0.000) 7.074 15.417 ( 0.000 -4.600 0.000) 4.600 15.769 ( 0.000 5.147 0.000) 5.147 15.919 ( 0.000 0.280 0.000) 0.280 16.256 ( 0.000 -0.514 0.000) 0.514 16.364 ( 0.000 -4.959 0.000) 4.959 17.168 ( 0.000 1.179 0.000) 1.179 17.249 ( 0.000 -1.835 0.000) 1.835 18.403 ( 0.000 2.065 0.000) 2.065 18.484 ( 0.000 -0.905 0.000) 0.905 18.670 ( 0.000 2.638 0.000) 2.638 18.783 ( 0.000 -0.788 0.000) 0.788 19.216 ( 0.000 2.275 0.000) 2.275 19.404 ( 0.000 -4.130 0.000) 4.130 19.983 ( 0.000 3.297 0.000) 3.297 20.088 ( 0.000 -0.525 0.000) 0.525 20.495 ( 0.000 -0.290 0.000) 0.290 20.509 ( 0.000 -0.864 0.000) 0.864 24.917 ( 0.000 1.995 0.000) 1.995 25.006 ( 0.000 -1.136 0.000) 1.136 27.071 ( 0.000 2.885 0.000) 2.885 27.263 ( 0.000 -3.919 0.000) 3.919 29.017 ( 0.000 3.146 0.000) 3.146 29.177 ( 0.000 -2.530 0.000) 2.530 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 19.867 17.860 -5.213) 27.218 0.938 ( 18.237 18.664 -2.757) 26.240 1.611 ( 18.503 10.481 0.006) 21.266 1.629 ( 21.594 10.463 -1.986) 24.077 2.002 ( -5.788 -17.966 -1.034) 18.904 2.161 ( -0.143 2.885 -0.411) 2.917 2.191 ( 1.164 1.150 -3.112) 3.515 2.441 ( 2.905 9.348 -0.847) 9.826 2.622 ( 1.927 4.831 0.679) 5.246 2.718 ( 4.881 1.650 0.754) 5.207 3.012 ( -8.382 9.164 -0.524) 12.430 3.100 ( -3.531 5.947 -1.098) 7.003 3.266 ( 3.447 -8.299 -0.837) 9.026 3.363 ( -0.409 -5.003 1.053) 5.129 3.521 ( -3.391 -0.509 0.932) 3.553 3.600 ( -1.891 0.220 0.624) 2.004 3.689 ( -10.592 -5.595 2.538) 12.245 3.812 ( -0.831 -5.038 -2.777) 5.812 3.852 ( -4.486 -2.756 3.576) 6.365 3.943 ( -4.200 -8.966 -2.392) 10.186 4.103 ( 0.700 -4.411 1.493) 4.710 4.539 ( -8.298 -13.585 -2.528) 16.118 4.751 ( -5.690 -6.602 3.140) 9.264 4.850 ( -3.159 -3.154 2.697) 5.216 5.041 ( 4.645 6.979 -1.176) 8.465 5.121 ( 0.615 3.711 -1.748) 4.148 5.235 ( 1.741 4.538 0.519) 4.889 5.345 ( 0.947 1.737 1.463) 2.460 5.588 ( 8.851 2.621 0.326) 9.236 5.648 ( 4.370 2.397 -0.919) 5.068 5.812 ( 0.150 -0.224 -0.679) 0.731 5.903 ( -1.600 -1.493 0.771) 2.320 5.988 ( 0.643 1.110 0.597) 1.414 6.035 ( 2.115 -0.359 3.579) 4.172 6.158 ( 2.432 -1.908 -4.001) 5.056 6.187 ( 3.932 -1.263 2.591) 4.876 6.736 ( -5.568 1.967 6.078) 8.475 6.821 ( 2.896 4.824 -4.388) 7.136 6.945 ( 2.188 3.435 -6.030) 7.277 7.115 ( -3.349 10.314 -0.066) 10.845 7.285 ( 0.552 -2.946 -0.609) 3.058 7.448 ( -1.847 1.525 -0.381) 2.425 7.681 ( -3.997 -5.433 0.120) 6.746 7.781 ( -3.041 -3.499 3.269) 5.672 8.025 ( -13.293 16.045 -5.918) 21.660 8.197 ( -0.642 2.017 0.649) 2.214 8.625 ( -6.480 9.381 -0.085) 11.402 8.774 ( -4.899 1.578 4.441) 6.798 8.898 ( -0.650 1.702 -4.725) 5.064 9.106 ( -0.559 0.497 5.519) 5.569 9.215 ( -2.552 3.419 10.172) 11.031 9.386 ( -1.511 6.040 -7.577) 9.807 9.505 ( -0.583 -3.744 -0.826) 3.879 9.636 ( 3.341 -0.849 4.871) 5.968 9.785 ( -5.746 -6.732 4.875) 10.105 9.939 ( -3.899 -6.502 -4.233) 8.683 10.126 ( 2.485 0.962 -0.329) 2.685 10.192 ( 1.116 -1.756 5.473) 5.855 10.311 ( 0.396 1.893 -13.286) 13.426 10.354 ( -0.878 4.234 -1.201) 4.488 10.432 ( -0.282 -1.952 -2.553) 3.225 10.519 ( 2.431 0.854 3.519) 4.362 10.590 ( 4.587 -1.289 4.731) 6.714 10.669 ( 0.620 -3.137 4.685) 5.673 11.022 ( -1.306 0.958 1.381) 2.129 11.206 ( 1.990 -4.380 -2.545) 5.442 11.322 ( 12.517 -3.235 -4.947) 13.842 11.409 ( 7.087 -1.120 -4.719) 8.588 11.829 ( -4.647 4.691 0.437) 6.618 11.943 ( 1.105 -1.836 2.178) 3.056 12.381 ( -5.133 0.226 0.658) 5.180 12.625 ( 0.071 -7.502 -0.821) 7.547 12.720 ( 1.491 3.540 2.558) 4.615 12.939 ( -0.188 -1.159 -3.661) 3.845 13.125 ( 3.257 0.265 2.711) 4.246 13.383 ( 6.292 -9.461 0.360) 11.368 13.585 ( -2.571 6.464 -2.105) 7.268 13.762 ( -3.942 -1.973 7.566) 8.757 13.878 ( -0.972 5.632 -1.471) 5.901 14.104 ( 1.598 0.877 -5.444) 5.741 14.168 ( 1.556 3.121 4.981) 6.081 14.331 ( 7.643 -8.502 -4.642) 12.339 14.566 ( 1.063 -4.003 2.416) 4.795 14.895 ( 1.567 -11.854 -3.281) 12.399 15.110 ( 0.299 6.910 -0.512) 6.935 15.411 ( -0.513 -3.647 -3.279) 4.931 15.740 ( -3.269 6.852 10.879) 13.266 15.939 ( 1.833 -0.216 -5.849) 6.133 16.230 ( -2.399 1.521 -9.860) 10.261 16.396 ( 2.516 -5.295 -2.759) 6.480 16.851 ( -27.752 22.208 -3.546) 35.720 17.062 ( -10.762 -0.245 3.830) 11.426 17.943 ( -20.978 24.978 1.229) 32.642 18.405 ( -1.071 1.800 2.344) 3.144 18.476 ( -1.805 -0.364 5.445) 5.748 18.610 ( -14.713 -4.657 -1.386) 15.495 19.112 ( -13.125 6.075 1.636) 14.555 19.340 ( -5.823 1.290 -3.535) 6.933 19.438 ( -0.767 3.088 -19.062) 19.326 19.881 ( -12.148 -8.542 -12.522) 19.425 21.259 ( 40.295 1.460 10.702) 41.718 21.883 ( 55.154 -41.274 17.605) 71.101 24.818 ( -7.548 7.102 -0.018) 10.364 24.970 ( -3.593 -1.458 -0.524) 3.913 26.824 ( -12.908 15.721 -3.647) 20.666 27.257 ( -3.390 -6.620 8.143) 11.028 28.912 ( -4.463 6.669 0.294) 8.030 29.151 ( -3.761 -3.792 -4.375) 6.904 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 23.016 6.403 -4.701) 24.348 1.373 ( 22.116 6.713 -3.226) 23.336 1.778 ( 8.899 -7.640 -0.208) 11.731 1.887 ( -1.692 -12.988 -1.788) 13.220 2.160 ( 0.545 2.917 -1.587) 3.366 2.208 ( 1.478 0.600 -2.792) 3.215 2.382 ( 27.564 13.611 -2.856) 30.874 2.505 ( 4.181 9.140 -1.561) 10.172 2.641 ( 0.787 11.976 2.214) 12.204 2.795 ( 0.481 5.048 -0.233) 5.076 2.938 ( 6.156 4.363 -0.781) 7.586 3.027 ( -4.638 1.870 -2.254) 5.485 3.206 ( -6.598 -2.776 -2.550) 7.599 3.298 ( -6.400 -3.228 3.607) 8.024 3.456 ( -4.825 -0.242 -2.324) 5.361 3.501 ( -5.763 3.570 2.470) 7.215 3.532 ( -5.714 -0.227 3.287) 6.596 3.643 ( -9.105 0.033 -1.070) 9.168 3.806 ( -5.993 -2.100 1.851) 6.614 3.982 ( 8.205 -10.694 -1.097) 13.523 4.174 ( 8.537 -15.181 2.073) 17.540 4.322 ( -13.288 -9.043 -2.685) 16.296 4.553 ( -11.774 -8.921 3.059) 15.085 4.811 ( -1.737 -5.516 -0.940) 5.859 5.082 ( -0.329 9.349 -1.149) 9.425 5.137 ( -0.641 5.354 -1.300) 5.547 5.312 ( 3.252 0.124 0.438) 3.284 5.399 ( 5.361 -0.070 1.649) 5.609 5.606 ( -3.977 2.091 -0.215) 4.499 5.735 ( 4.873 2.239 -0.207) 5.367 5.787 ( -0.872 6.047 0.409) 6.123 5.931 ( 1.198 0.187 -3.573) 3.773 6.024 ( 1.436 -1.431 7.253) 7.531 6.069 ( 0.551 -3.101 0.406) 3.176 6.164 ( 0.909 -2.506 0.245) 2.677 6.308 ( 5.318 -0.532 0.150) 5.346 6.639 ( -2.745 7.835 1.428) 8.424 6.895 ( 3.783 3.160 -2.265) 5.424 6.987 ( 2.164 5.679 -5.152) 7.968 7.084 ( 0.311 4.363 -2.693) 5.137 7.296 ( 0.206 -0.364 0.449) 0.614 7.409 ( -1.394 -0.448 -0.769) 1.654 7.582 ( -5.103 1.069 1.036) 5.316 7.695 ( -4.877 1.331 3.933) 6.405 7.837 ( -4.781 7.847 -3.473) 9.823 8.195 ( -0.557 0.766 -1.585) 1.847 8.498 ( -6.397 5.263 1.454) 8.411 8.691 ( -3.638 1.738 1.103) 4.180 8.886 ( -2.095 -2.255 -1.712) 3.522 9.058 ( -4.256 -9.846 -0.433) 10.735 9.205 ( 1.907 2.849 4.800) 5.898 9.386 ( 0.471 9.377 -1.377) 9.489 9.463 ( -2.633 -7.514 -0.427) 7.973 9.664 ( -0.443 -3.318 -1.397) 3.627 9.788 ( 4.219 -1.620 2.595) 5.212 9.863 ( -3.287 -6.082 -0.679) 6.946 10.162 ( 1.256 2.265 -0.237) 2.601 10.227 ( 1.628 -1.184 7.645) 7.906 10.301 ( -0.687 2.610 -11.665) 11.973 10.357 ( 0.713 0.130 -3.399) 3.475 10.422 ( -0.139 -0.011 1.859) 1.864 10.531 ( 0.201 -0.055 0.441) 0.488 10.653 ( -1.159 2.090 8.668) 8.992 10.701 ( 4.470 0.121 2.191) 4.980 10.966 ( -3.647 2.839 -0.095) 4.623 11.185 ( -3.053 -4.198 -3.181) 6.088 11.511 ( 3.137 2.725 -2.256) 4.729 11.582 ( 7.902 -6.348 -4.679) 11.164 11.740 ( 0.035 3.682 1.830) 4.112 12.027 ( 6.651 -0.295 -0.769) 6.701 12.301 ( -2.528 -4.363 0.158) 5.045 12.604 ( -1.653 -11.504 2.677) 11.926 12.773 ( 2.650 6.964 0.292) 7.457 12.933 ( -1.316 -0.440 -3.099) 3.395 13.137 ( -1.019 2.902 0.436) 3.106 13.335 ( -5.070 -1.801 1.607) 5.615 13.612 ( 2.021 0.925 2.038) 3.016 13.677 ( -4.886 -1.388 3.829) 6.361 13.843 ( -1.666 3.379 -4.003) 5.496 14.145 ( 2.473 -0.200 -2.363) 3.426 14.256 ( 5.744 1.090 1.570) 6.053 14.465 ( 4.771 -6.481 0.422) 8.059 14.632 ( 5.482 -4.028 0.854) 6.856 14.936 ( 2.813 -9.248 -3.727) 10.360 15.120 ( 0.481 6.006 -0.187) 6.028 15.396 ( -1.038 -2.578 -4.811) 5.556 15.649 ( -4.704 8.124 8.329) 12.550 15.975 ( 0.936 -2.080 -8.442) 8.745 16.175 ( -1.976 5.966 -9.614) 11.486 16.428 ( -0.643 -2.810 0.668) 2.959 16.543 ( -3.939 12.098 -2.373) 12.942 16.799 ( -13.040 -1.873 2.117) 13.343 17.750 ( -4.038 12.387 1.339) 13.097 18.275 ( -11.260 -3.605 5.108) 12.879 18.375 ( -4.514 0.736 -1.835) 4.927 18.470 ( -1.022 -0.737 3.259) 3.494 18.837 ( -12.583 4.909 -0.566) 13.518 19.136 ( -13.636 -3.710 -2.431) 14.339 19.464 ( 2.282 4.967 -10.664) 11.984 19.795 ( 0.200 -6.346 -5.672) 8.514 21.992 ( 30.713 3.151 6.768) 31.607 22.557 ( 18.366 -22.805 8.562) 30.507 24.672 ( -6.254 7.513 -0.880) 9.815 24.867 ( -6.215 -1.693 -0.455) 6.457 26.662 ( -4.111 12.357 -1.510) 13.110 27.152 ( -6.035 -7.104 2.124) 9.560 28.868 ( -0.745 3.684 -1.886) 4.205 29.052 ( -5.183 -3.009 -0.833) 6.051 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( 16.723 2.421 -3.914) 17.345 1.801 ( 20.112 -1.637 -0.063) 20.179 1.898 ( 3.361 -2.793 -3.581) 5.650 1.960 ( 7.875 -3.693 0.632) 8.721 2.172 ( 0.825 2.033 -1.965) 2.945 2.224 ( 0.453 -0.543 -3.294) 3.369 2.460 ( -2.389 -1.017 -2.130) 3.359 2.574 ( -10.505 -4.756 0.815) 11.560 2.670 ( 3.854 15.897 0.236) 16.359 2.855 ( -1.245 4.107 1.009) 4.409 2.957 ( -0.969 2.359 -2.060) 3.279 3.082 ( 3.972 -0.040 -0.523) 4.006 3.182 ( 3.116 2.194 -1.179) 3.989 3.267 ( -0.348 1.135 3.442) 3.641 3.314 ( -5.487 0.908 -0.703) 5.606 3.387 ( -4.183 7.233 4.206) 9.354 3.444 ( -4.919 1.513 1.219) 5.289 3.502 ( -4.012 2.173 -3.325) 5.646 3.753 ( 6.069 1.739 0.313) 6.321 3.993 ( -13.206 6.977 -0.850) 14.960 4.176 ( 4.190 -18.020 -0.100) 18.501 4.286 ( -4.745 -10.715 0.692) 11.739 4.473 ( 13.447 -10.655 0.213) 17.158 4.756 ( -3.859 -10.530 -1.888) 11.373 5.028 ( -4.068 5.366 -0.211) 6.737 5.153 ( -1.345 3.525 -1.690) 4.134 5.266 ( -0.828 5.442 2.561) 6.071 5.493 ( -1.143 4.920 -0.071) 5.051 5.605 ( 2.552 2.520 -2.628) 4.446 5.726 ( -1.071 5.072 2.484) 5.749 5.841 ( 1.109 1.504 -0.097) 1.871 5.945 ( -1.092 -0.102 -0.870) 1.400 5.985 ( -0.210 -1.434 2.830) 3.179 6.096 ( 1.785 -2.002 1.404) 3.027 6.218 ( 3.340 -4.689 1.964) 6.083 6.378 ( 1.652 -3.215 -0.632) 3.669 6.634 ( 1.698 8.173 0.072) 8.348 6.956 ( 2.354 2.688 -2.646) 4.446 7.033 ( 1.642 6.518 -0.008) 6.722 7.099 ( 0.516 -1.413 -5.859) 6.049 7.294 ( 0.075 -0.955 -0.916) 1.325 7.396 ( -0.497 -2.789 -0.579) 2.891 7.496 ( -2.605 2.891 4.036) 5.606 7.619 ( -1.946 4.896 -0.162) 5.271 7.790 ( -0.562 -0.805 -0.026) 0.982 8.135 ( -6.600 -1.183 -2.164) 7.045 8.367 ( -5.307 5.674 0.580) 7.790 8.629 ( -2.330 0.896 -1.348) 2.837 8.833 ( -2.125 -4.273 -0.455) 4.794 8.959 ( -4.677 -8.316 0.549) 9.556 9.268 ( 3.170 -1.243 1.225) 3.618 9.374 ( -1.064 4.022 1.401) 4.390 9.448 ( 0.520 -3.492 -1.928) 4.022 9.649 ( -0.575 -1.250 -2.051) 2.469 9.804 ( -1.379 -3.376 0.019) 3.646 9.865 ( 1.557 -4.005 2.029) 4.752 10.195 ( 1.302 2.371 0.087) 2.707 10.230 ( -1.421 0.132 0.735) 1.605 10.288 ( 0.479 1.272 -2.328) 2.696 10.380 ( 0.826 1.640 0.751) 1.984 10.416 ( -0.356 1.998 -4.608) 5.035 10.543 ( 0.422 -0.096 4.526) 4.546 10.635 ( 0.682 5.558 5.674) 7.972 10.784 ( 3.449 0.523 3.007) 4.605 10.885 ( -4.114 1.310 -1.729) 4.650 11.085 ( -6.023 -4.696 -4.324) 8.777 11.484 ( -3.149 3.482 -0.560) 4.728 11.643 ( 1.064 -3.060 -0.159) 3.244 11.913 ( 11.723 -0.421 -2.041) 11.906 12.174 ( 7.113 1.109 -1.097) 7.282 12.274 ( -0.740 -6.890 -0.807) 6.976 12.563 ( -2.569 -7.450 4.352) 9.002 12.763 ( -3.800 5.415 0.468) 6.631 12.896 ( -1.052 -2.811 -2.658) 4.009 13.127 ( -0.666 5.827 -0.333) 5.875 13.295 ( 1.835 -0.607 1.837) 2.666 13.571 ( -3.670 0.595 0.898) 3.824 13.619 ( -2.784 -1.383 1.716) 3.551 13.862 ( 4.159 3.038 -3.689) 6.335 14.170 ( -0.733 -3.814 -1.096) 4.036 14.356 ( 3.393 3.295 0.129) 4.731 14.548 ( 4.212 0.193 4.085) 5.871 14.750 ( 5.163 -1.100 -2.258) 5.742 15.024 ( 5.287 -9.400 -1.020) 10.833 15.123 ( 0.257 4.838 0.963) 4.940 15.362 ( -2.331 -2.580 -4.278) 5.512 15.586 ( -0.995 5.124 2.208) 5.667 15.941 ( -4.620 -4.582 -7.303) 9.782 16.173 ( 1.408 5.215 -0.205) 5.406 16.369 ( -4.325 -0.572 1.401) 4.582 16.519 ( -0.788 4.690 -5.722) 7.441 16.628 ( -2.864 -0.961 0.685) 3.097 17.707 ( -0.432 8.847 1.873) 9.054 18.125 ( -3.278 -2.309 3.787) 5.515 18.254 ( -7.409 2.691 -1.311) 7.991 18.454 ( -0.819 -1.368 3.704) 4.033 18.624 ( -7.820 0.781 -1.308) 7.967 18.836 ( -14.827 -4.985 -2.767) 15.886 19.508 ( 1.925 5.848 -5.564) 8.298 19.815 ( 1.191 -5.107 -2.632) 5.868 22.496 ( 18.816 1.895 3.301) 19.197 22.798 ( 7.220 -9.485 4.689) 12.809 24.572 ( -3.466 4.541 -1.244) 5.846 24.731 ( -6.729 -1.556 -0.571) 6.930 26.616 ( -1.069 8.269 -1.005) 8.398 27.039 ( -4.643 -6.914 -0.078) 8.329 28.861 ( -0.079 1.736 -3.128) 3.579 28.959 ( -3.673 -1.677 1.765) 4.407 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.944 ( 7.540 0.527 2.395) 7.928 2.005 ( 5.327 0.354 -4.754) 7.149 2.052 ( 2.114 -1.495 0.482) 2.634 2.122 ( 1.871 -4.453 -3.636) 6.046 2.201 ( 1.131 0.386 -0.854) 1.469 2.246 ( 4.292 -2.712 0.091) 5.078 2.322 ( -3.770 -2.341 1.182) 4.593 2.461 ( -2.716 -8.389 -0.025) 8.818 2.712 ( 0.205 8.114 0.988) 8.176 2.816 ( -0.938 4.517 -0.246) 4.620 2.929 ( 1.095 7.951 -1.100) 8.101 3.074 ( -7.750 7.787 1.152) 11.047 3.171 ( -2.475 0.311 -0.763) 2.609 3.213 ( -0.258 0.720 -0.311) 0.826 3.296 ( 0.977 0.431 0.268) 1.101 3.359 ( 0.770 1.040 3.254) 3.501 3.449 ( 3.195 6.055 1.412) 6.991 3.469 ( 8.537 -0.789 -2.673) 8.980 3.636 ( -13.147 4.551 -0.347) 13.917 3.773 ( -14.396 4.127 -0.645) 14.990 4.347 ( 15.259 -13.410 0.553) 20.321 4.446 ( 11.008 -6.413 0.774) 12.763 4.647 ( -3.619 -12.524 -5.528) 14.160 4.701 ( 2.643 -5.683 2.837) 6.879 4.956 ( -5.587 1.177 0.217) 5.713 5.008 ( -3.999 -0.424 0.305) 4.033 5.390 ( 5.017 9.806 1.324) 11.094 5.458 ( 2.964 9.999 -1.355) 10.517 5.531 ( -4.768 9.662 -0.642) 10.794 5.680 ( -10.225 4.292 0.460) 11.099 5.838 ( 5.334 -3.337 0.460) 6.309 5.937 ( -2.237 -2.927 0.705) 3.750 6.045 ( 4.289 -0.529 0.042) 4.321 6.118 ( -0.385 -2.014 0.995) 2.279 6.277 ( 2.113 -5.969 0.835) 6.387 6.385 ( -0.473 -5.798 -0.788) 5.871 6.676 ( 1.639 7.502 0.235) 7.682 6.991 ( 0.802 3.900 -2.822) 4.880 7.042 ( -0.170 5.513 2.941) 6.251 7.095 ( -0.539 -2.009 -3.120) 3.749 7.303 ( 0.382 -4.863 -1.285) 5.044 7.386 ( -0.103 -4.697 -1.577) 4.955 7.478 ( -0.087 1.629 4.187) 4.493 7.634 ( 2.943 4.465 -1.902) 5.676 7.798 ( 1.288 -2.584 3.477) 4.519 7.944 ( -9.480 1.175 -3.600) 10.209 8.309 ( -1.031 6.485 0.357) 6.576 8.598 ( -0.774 -0.403 -1.033) 1.352 8.818 ( 0.460 -5.147 -0.727) 5.219 8.881 ( -2.684 -6.784 1.308) 7.411 9.318 ( 1.808 -2.021 -0.122) 2.714 9.353 ( -1.117 1.523 0.436) 1.938 9.459 ( 0.416 -2.414 -0.613) 2.525 9.647 ( 0.111 1.635 -0.946) 1.892 9.803 ( 1.220 -4.671 1.201) 4.975 9.861 ( -1.566 -4.095 0.227) 4.390 10.188 ( -1.005 -0.775 -1.103) 1.682 10.204 ( -0.701 0.064 -0.007) 0.703 10.312 ( 0.613 4.714 -0.216) 4.759 10.378 ( -0.070 2.695 0.112) 2.698 10.423 ( 0.519 5.135 -0.803) 5.223 10.543 ( -0.112 3.363 2.854) 4.412 10.681 ( 2.715 1.640 1.908) 3.701 10.796 ( -2.808 1.959 -0.158) 3.427 10.859 ( 2.553 0.164 1.655) 3.047 10.972 ( -4.394 -6.236 -3.838) 8.540 11.439 ( -1.077 3.699 -0.142) 3.856 11.654 ( 0.185 -2.104 0.004) 2.112 12.115 ( 7.190 -4.073 -1.175) 8.347 12.242 ( -2.523 -6.251 -0.146) 6.743 12.303 ( 4.825 1.783 -1.179) 5.277 12.497 ( -3.372 -4.354 2.894) 6.221 12.697 ( -1.696 4.423 0.265) 4.744 12.874 ( -0.991 -4.132 -1.355) 4.460 13.116 ( -0.148 8.178 0.575) 8.200 13.354 ( 2.312 -0.455 0.664) 2.448 13.528 ( -0.490 0.650 0.204) 0.839 13.552 ( -2.784 -0.010 -0.231) 2.794 13.979 ( 6.447 -1.148 -1.965) 6.836 14.106 ( -5.158 -4.299 0.339) 6.723 14.397 ( 0.934 9.264 0.126) 9.312 14.623 ( 2.270 0.260 1.827) 2.925 14.833 ( 2.781 2.036 -1.724) 3.854 15.048 ( -1.563 -2.880 0.656) 3.342 15.206 ( 6.024 -3.095 -0.355) 6.782 15.305 ( -3.311 -1.943 0.005) 3.839 15.612 ( 3.034 0.653 -0.474) 3.140 15.811 ( -6.428 -5.013 -2.265) 8.461 16.206 ( 1.329 4.245 0.877) 4.534 16.296 ( -2.180 0.802 -0.453) 2.367 16.513 ( 0.124 3.627 -2.234) 4.261 16.611 ( -0.152 -0.506 -0.216) 0.571 17.725 ( 1.575 7.982 1.452) 8.264 18.081 ( -4.182 7.828 -0.086) 8.875 18.148 ( 0.567 -6.642 1.052) 6.749 18.435 ( -0.987 -3.085 2.264) 3.952 18.528 ( -1.731 -1.797 -0.257) 2.509 18.583 ( -8.384 -4.027 -2.721) 9.691 19.537 ( 0.765 6.160 -1.762) 6.453 19.833 ( 0.478 -4.562 -0.808) 4.658 22.756 ( 6.649 0.600 0.491) 6.694 22.888 ( 1.986 -3.923 2.108) 4.876 24.537 ( -0.074 1.907 -0.726) 2.042 24.614 ( -4.072 -0.787 -0.201) 4.153 26.604 ( -0.213 6.521 -0.381) 6.536 26.973 ( -1.648 -6.486 -0.203) 6.695 28.862 ( 0.102 0.855 -2.571) 2.711 28.907 ( -1.420 -0.720 2.153) 2.678 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 0.000 -21.850 0.000) 21.850 1.148 ( 0.000 21.850 0.000) 21.850 1.432 ( 0.000 -28.490 0.000) 28.490 1.432 ( 0.000 28.490 0.000) 28.490 2.186 ( 0.000 -6.309 0.000) 6.309 2.186 ( 0.000 6.309 0.000) 6.309 2.232 ( 0.000 -22.369 0.000) 22.369 2.232 ( 0.000 22.369 0.000) 22.369 2.753 ( 0.000 -11.146 0.000) 11.146 2.753 ( 0.000 11.146 0.000) 11.146 2.928 ( 0.000 -17.239 0.000) 17.239 2.928 ( 0.000 17.239 0.000) 17.239 3.355 ( 0.000 -11.669 0.000) 11.669 3.355 ( 0.000 11.669 0.000) 11.669 3.588 ( 0.000 -4.364 0.000) 4.364 3.588 ( 0.000 4.364 0.000) 4.364 3.656 ( 0.000 -1.914 0.000) 1.914 3.656 ( 0.000 1.914 0.000) 1.914 3.946 ( 0.000 -2.132 0.000) 2.132 3.946 ( 0.000 2.132 0.000) 2.132 4.295 ( 0.000 -14.653 0.000) 14.653 4.295 ( 0.000 14.653 0.000) 14.653 4.805 ( 0.000 -3.487 0.000) 3.487 4.805 ( 0.000 3.487 0.000) 3.487 5.108 ( 0.000 -2.201 0.000) 2.201 5.108 ( 0.000 2.201 0.000) 2.201 5.350 ( 0.000 -2.212 0.000) 2.212 5.350 ( 0.000 2.212 0.000) 2.212 5.524 ( 0.000 -2.935 0.000) 2.935 5.524 ( 0.000 2.935 0.000) 2.935 5.900 ( 0.000 -3.848 0.000) 3.848 5.900 ( 0.000 3.848 0.000) 3.848 5.998 ( 0.000 -0.765 0.000) 0.765 5.998 ( 0.000 0.765 0.000) 0.765 6.117 ( 0.000 -0.227 0.000) 0.227 6.117 ( 0.000 0.227 0.000) 0.227 6.778 ( 0.000 -1.262 0.000) 1.262 6.778 ( 0.000 1.262 0.000) 1.262 7.104 ( 0.000 -6.960 0.000) 6.960 7.104 ( 0.000 6.960 0.000) 6.960 7.422 ( 0.000 -9.138 0.000) 9.138 7.422 ( 0.000 9.138 0.000) 9.138 7.661 ( 0.000 -6.521 0.000) 6.521 7.661 ( 0.000 6.521 0.000) 6.521 8.214 ( 0.000 -2.859 0.000) 2.859 8.214 ( 0.000 2.859 0.000) 2.859 8.798 ( 0.000 -4.124 0.000) 4.124 8.798 ( 0.000 4.124 0.000) 4.124 9.137 ( 0.000 -2.078 0.000) 2.078 9.137 ( 0.000 2.078 0.000) 2.078 9.367 ( 0.000 -0.165 0.000) 0.165 9.367 ( 0.000 0.165 0.000) 0.165 9.516 ( 0.000 -3.822 0.000) 3.822 9.516 ( 0.000 3.822 0.000) 3.822 9.882 ( 0.000 -4.038 0.000) 4.038 9.882 ( 0.000 4.038 0.000) 4.038 10.159 ( 0.000 -1.417 0.000) 1.417 10.159 ( 0.000 1.417 0.000) 1.417 10.312 ( 0.000 -1.858 0.000) 1.858 10.312 ( 0.000 1.858 0.000) 1.858 10.472 ( 0.000 -1.506 0.000) 1.506 10.472 ( 0.000 1.506 0.000) 1.506 10.550 ( 0.000 -6.847 0.000) 6.847 10.550 ( 0.000 6.847 0.000) 6.847 11.033 ( 0.000 -1.692 0.000) 1.692 11.033 ( 0.000 1.692 0.000) 1.692 11.300 ( 0.000 -0.671 0.000) 0.671 11.300 ( 0.000 0.671 0.000) 0.671 11.908 ( 0.000 -2.578 0.000) 2.578 11.908 ( 0.000 2.578 0.000) 2.578 12.543 ( 0.000 -2.825 0.000) 2.825 12.543 ( 0.000 2.825 0.000) 2.825 12.849 ( 0.000 -5.979 0.000) 5.979 12.849 ( 0.000 5.979 0.000) 5.979 13.122 ( 0.000 -4.516 0.000) 4.516 13.122 ( 0.000 4.516 0.000) 4.516 13.745 ( 0.000 -1.335 0.000) 1.335 13.745 ( 0.000 1.335 0.000) 1.335 14.042 ( 0.000 -4.029 0.000) 4.029 14.042 ( 0.000 4.029 0.000) 4.029 14.215 ( 0.000 -0.775 0.000) 0.775 14.215 ( 0.000 0.775 0.000) 0.775 14.578 ( 0.000 -9.056 0.000) 9.056 14.578 ( 0.000 9.056 0.000) 9.056 15.278 ( 0.000 -7.400 0.000) 7.400 15.278 ( 0.000 7.400 0.000) 7.400 15.885 ( 0.000 -3.883 0.000) 3.883 15.885 ( 0.000 3.883 0.000) 3.883 16.269 ( 0.000 -2.413 0.000) 2.413 16.269 ( 0.000 2.413 0.000) 2.413 17.204 ( 0.000 -1.980 0.000) 1.980 17.204 ( 0.000 1.980 0.000) 1.980 18.452 ( 0.000 -1.998 0.000) 1.998 18.452 ( 0.000 1.998 0.000) 1.998 18.739 ( 0.000 -2.999 0.000) 2.999 18.739 ( 0.000 2.999 0.000) 2.999 19.298 ( 0.000 -4.734 0.000) 4.734 19.298 ( 0.000 4.734 0.000) 4.734 20.055 ( 0.000 -2.566 0.000) 2.566 20.055 ( 0.000 2.566 0.000) 2.566 20.494 ( 0.000 -0.325 0.000) 0.325 20.494 ( 0.000 0.325 0.000) 0.325 24.968 ( 0.000 -2.197 0.000) 2.197 24.968 ( 0.000 2.197 0.000) 2.197 27.160 ( 0.000 -4.758 0.000) 4.758 27.160 ( 0.000 4.758 0.000) 4.758 29.102 ( 0.000 -3.960 0.000) 3.960 29.102 ( 0.000 3.960 0.000) 3.960 ======================= Grid point 20 (12/96) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 10.082 -16.390 -2.513) 19.406 1.264 ( 10.082 16.390 -2.513) 19.406 1.445 ( 3.290 -22.090 -1.763) 22.403 1.445 ( 3.290 22.090 -1.763) 22.403 2.196 ( 0.370 -0.746 -1.073) 1.359 2.196 ( 0.370 0.746 -1.073) 1.359 2.377 ( 11.925 -18.766 -0.900) 22.253 2.377 ( 11.925 18.766 -0.900) 22.253 2.858 ( 9.426 -14.313 0.091) 17.138 2.858 ( 9.426 14.313 0.091) 17.138 2.948 ( 1.930 -13.810 -0.572) 13.956 2.948 ( 1.930 13.810 -0.572) 13.956 3.289 ( -5.319 -8.935 -2.329) 10.656 3.289 ( -5.319 8.935 -2.329) 10.656 3.499 ( -7.111 -4.270 4.540) 9.456 3.499 ( -7.111 4.270 4.540) 9.456 3.647 ( -1.732 -5.030 1.868) 5.638 3.647 ( -1.732 5.030 1.868) 5.638 3.857 ( -7.127 -1.430 -3.248) 7.961 3.857 ( -7.127 1.430 -3.248) 7.961 4.241 ( -4.744 -11.934 -0.020) 12.843 4.241 ( -4.744 11.934 -0.020) 12.843 4.746 ( -5.264 -4.336 0.936) 6.884 4.746 ( -5.264 4.336 0.936) 6.884 5.136 ( 3.266 -1.734 -0.057) 3.698 5.136 ( 3.266 1.734 -0.057) 3.698 5.339 ( 0.120 -2.824 0.397) 2.855 5.339 ( 0.120 2.824 0.397) 2.855 5.651 ( 6.396 -2.164 -0.842) 6.804 5.651 ( 6.396 2.164 -0.842) 6.804 5.841 ( -2.189 -3.036 0.408) 3.765 5.841 ( -2.189 3.036 0.408) 3.765 6.025 ( 1.153 -1.913 1.055) 2.470 6.025 ( 1.153 1.913 1.055) 2.470 6.161 ( 3.607 -2.597 -0.128) 4.446 6.161 ( 3.607 2.597 -0.128) 4.446 6.777 ( 0.254 -3.482 -0.866) 3.597 6.777 ( 0.254 3.482 -0.866) 3.597 7.114 ( 0.918 -6.674 -1.824) 6.980 7.114 ( 0.918 6.674 -1.824) 6.980 7.407 ( -1.577 -9.096 0.323) 9.237 7.407 ( -1.577 9.096 0.323) 9.237 7.636 ( -2.193 -6.468 0.213) 6.833 7.636 ( -2.193 6.468 0.213) 6.833 8.196 ( -1.909 -2.787 -0.619) 3.434 8.196 ( -1.909 2.787 -0.619) 3.434 8.772 ( -2.717 -3.350 1.406) 4.537 8.772 ( -2.717 3.350 1.406) 4.537 9.031 ( -8.362 -5.690 -4.402) 11.031 9.031 ( -8.362 5.690 -4.402) 11.031 9.372 ( -3.102 -6.490 7.311) 10.256 9.372 ( -3.102 6.490 7.311) 10.256 9.520 ( 2.287 -4.477 -0.312) 5.037 9.520 ( 2.287 4.477 -0.312) 5.037 9.774 ( -4.607 -6.558 -0.866) 8.061 9.774 ( -4.607 6.558 -0.866) 8.061 10.161 ( 1.604 -1.632 1.836) 2.934 10.161 ( 1.604 1.632 1.836) 2.934 10.357 ( 0.230 -2.388 -8.934) 9.250 10.357 ( 0.230 2.388 -8.934) 9.250 10.498 ( -0.529 -4.050 0.488) 4.113 10.498 ( -0.529 4.050 0.488) 4.113 10.583 ( 5.415 -2.376 8.256) 10.156 10.583 ( 5.415 2.376 8.256) 10.156 11.089 ( 2.328 -4.606 -1.169) 5.292 11.089 ( 2.328 4.606 -1.169) 5.292 11.360 ( 6.771 -3.325 -4.094) 8.583 11.360 ( 6.771 3.325 -4.094) 8.583 11.901 ( -0.794 -2.194 1.917) 3.020 11.901 ( -0.794 2.194 1.917) 3.020 12.448 ( -6.513 -5.392 -0.618) 8.478 12.448 ( -6.513 5.392 -0.618) 8.478 12.873 ( 1.980 -5.522 -0.440) 5.882 12.873 ( 1.980 5.522 -0.440) 5.882 13.192 ( 4.222 -6.330 1.149) 7.695 13.192 ( 4.222 6.330 1.149) 7.695 13.701 ( -3.252 -3.741 1.324) 5.131 13.701 ( -3.252 3.741 1.324) 5.131 14.054 ( -1.152 -6.626 -2.164) 7.065 14.054 ( -1.152 6.626 -2.164) 7.065 14.223 ( 3.039 -2.572 0.017) 3.981 14.223 ( 3.039 2.572 0.017) 3.981 14.615 ( 3.414 -9.745 -0.908) 10.365 14.615 ( 3.414 9.745 -0.908) 10.365 15.278 ( -0.049 -7.343 -0.292) 7.349 15.278 ( -0.049 7.343 -0.292) 7.349 15.885 ( -0.244 -5.003 0.137) 5.010 15.885 ( -0.244 5.003 0.137) 5.010 16.279 ( 0.882 -3.905 -2.877) 4.929 16.279 ( 0.882 3.905 -2.877) 4.929 17.042 ( -14.548 -2.244 -0.571) 14.731 17.042 ( -14.548 2.244 -0.571) 14.731 18.379 ( -16.775 -10.493 -3.625) 20.116 18.379 ( -16.775 10.493 -3.625) 20.116 18.476 ( -5.903 -2.710 8.664) 10.828 18.476 ( -5.903 2.710 8.664) 10.828 19.262 ( -8.372 -6.218 0.540) 10.443 19.262 ( -8.372 6.218 0.540) 10.443 19.637 ( -8.818 -11.776 -17.537) 22.890 19.637 ( -8.818 11.776 -17.537) 22.890 21.367 ( 47.647 -10.226 12.963) 50.426 21.367 ( 47.647 10.226 12.963) 50.426 24.920 ( -4.435 -3.072 -0.176) 5.398 24.920 ( -4.435 3.072 -0.176) 5.398 27.082 ( -6.642 -8.967 0.034) 11.159 27.082 ( -6.642 8.967 0.034) 11.159 29.047 ( -4.303 -5.367 -1.030) 6.956 29.047 ( -4.303 5.367 -1.030) 6.956 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( 12.725 -7.796 -1.858) 15.039 1.498 ( 12.725 7.796 -1.858) 15.039 1.619 ( 12.686 -6.265 -3.084) 14.481 1.619 ( 12.686 6.265 -3.084) 14.481 2.203 ( 0.281 -0.985 -2.763) 2.947 2.203 ( 0.281 0.985 -2.763) 2.947 2.565 ( 3.172 -2.705 0.378) 4.186 2.565 ( 3.172 2.705 0.378) 4.186 2.942 ( -3.233 -1.009 -2.776) 4.379 2.942 ( -3.233 1.009 -2.776) 4.379 3.017 ( 4.003 -7.959 -0.018) 8.909 3.017 ( 4.003 7.959 -0.018) 8.909 3.275 ( 2.043 -12.501 1.080) 12.713 3.275 ( 2.043 12.501 1.080) 12.713 3.407 ( -0.041 -6.791 2.540) 7.251 3.407 ( -0.041 6.791 2.540) 7.251 3.599 ( 0.276 -7.009 2.853) 7.573 3.599 ( 0.276 7.009 2.853) 7.573 3.714 ( -4.779 -3.908 -3.784) 7.241 3.714 ( -4.779 3.908 -3.784) 7.241 4.125 ( -5.761 -8.011 0.387) 9.875 4.125 ( -5.761 8.011 0.387) 9.875 4.614 ( -7.562 -9.646 -0.205) 12.258 4.614 ( -7.562 9.646 -0.205) 12.258 5.209 ( 1.663 -1.155 -1.526) 2.535 5.209 ( 1.663 1.155 -1.526) 2.535 5.345 ( 0.811 -3.587 1.543) 3.988 5.345 ( 0.811 3.587 1.543) 3.988 5.684 ( 0.859 -4.632 -0.188) 4.715 5.684 ( 0.859 4.632 -0.188) 4.715 5.882 ( 3.069 -4.548 -1.015) 5.580 5.882 ( 3.069 4.548 -1.015) 5.580 6.032 ( -0.380 -2.725 2.744) 3.886 6.032 ( -0.380 2.725 2.744) 3.886 6.228 ( 2.458 -6.095 0.129) 6.574 6.228 ( 2.458 6.095 0.129) 6.574 6.797 ( 1.734 -7.291 -1.369) 7.619 6.797 ( 1.734 7.291 -1.369) 7.619 7.135 ( 0.962 -5.068 -3.223) 6.082 7.135 ( 0.962 5.068 -3.223) 6.082 7.358 ( -2.968 -7.217 0.549) 7.822 7.358 ( -2.968 7.217 0.549) 7.822 7.591 ( -1.752 -6.018 0.759) 6.314 7.591 ( -1.752 6.018 0.759) 6.314 8.125 ( -5.351 -8.735 -1.562) 10.362 8.125 ( -5.351 8.735 -1.562) 10.362 8.670 ( -6.823 -6.568 1.594) 9.604 8.670 ( -6.823 6.568 1.594) 9.604 8.885 ( -4.801 -3.450 -0.467) 5.930 8.885 ( -4.801 3.450 -0.467) 5.930 9.288 ( -3.041 -6.102 0.612) 6.845 9.288 ( -3.041 6.102 0.612) 6.845 9.582 ( 2.467 -5.243 -0.868) 5.859 9.582 ( 2.467 5.243 -0.868) 5.859 9.741 ( 0.111 -2.409 0.903) 2.575 9.741 ( 0.111 2.409 0.903) 2.575 10.213 ( 2.534 -1.064 4.757) 5.494 10.213 ( 2.534 1.064 4.757) 5.494 10.340 ( -0.508 -1.473 -8.442) 8.584 10.340 ( -0.508 1.473 -8.442) 8.584 10.485 ( -0.257 -3.969 0.639) 4.028 10.485 ( -0.257 3.969 0.639) 4.028 10.682 ( 3.586 -1.213 5.772) 6.903 10.682 ( 3.586 1.213 5.772) 6.903 11.074 ( -3.193 -6.023 -1.167) 6.917 11.074 ( -3.193 6.023 -1.167) 6.917 11.517 ( 5.780 -0.999 -1.850) 6.150 11.517 ( 5.780 0.999 -1.850) 6.150 11.898 ( 2.110 -8.831 -0.321) 9.085 11.898 ( 2.110 8.831 -0.321) 9.085 12.363 ( -1.417 -8.237 0.659) 8.384 12.363 ( -1.417 8.237 0.659) 8.384 12.899 ( -0.322 -3.440 -2.004) 3.994 12.899 ( -0.322 3.440 -2.004) 3.994 13.230 ( 0.092 -5.358 1.666) 5.612 13.230 ( 0.092 5.358 1.666) 5.612 13.644 ( -2.486 -1.329 2.009) 3.462 13.644 ( -2.486 1.329 2.009) 3.462 14.004 ( -1.907 -8.801 -3.507) 9.665 14.004 ( -1.907 8.801 -3.507) 9.665 14.344 ( 7.402 -4.707 1.319) 8.871 14.344 ( 7.402 4.707 1.319) 8.871 14.706 ( 5.343 -9.221 -1.677) 10.789 14.706 ( 5.343 9.221 -1.677) 10.789 15.273 ( -0.598 -6.942 0.122) 6.969 15.273 ( -0.598 6.942 0.122) 6.969 15.856 ( -3.049 -8.445 -1.734) 9.145 15.856 ( -3.049 8.445 -1.734) 9.145 16.294 ( 0.312 -6.084 -2.804) 6.706 16.294 ( 0.312 6.084 -2.804) 6.706 16.742 ( -11.625 -4.247 -1.316) 12.446 16.742 ( -11.625 4.247 -1.316) 12.446 18.071 ( -9.963 -13.267 1.313) 16.643 18.071 ( -9.963 13.267 1.313) 16.643 18.434 ( -1.819 -2.567 3.059) 4.389 18.434 ( -1.819 2.567 3.059) 4.389 18.996 ( -15.104 -8.096 -1.892) 17.242 18.996 ( -15.104 8.096 -1.892) 17.242 19.619 ( 2.272 -8.287 -8.369) 11.995 19.619 ( 2.272 8.287 -8.369) 11.995 22.151 ( 29.291 -12.160 7.869) 32.677 22.151 ( 29.291 12.160 7.869) 32.677 24.803 ( -6.605 -4.182 -0.715) 7.850 24.803 ( -6.605 4.182 -0.715) 7.850 26.940 ( -6.435 -11.420 -0.534) 13.119 26.940 ( -6.435 11.420 -0.534) 13.119 28.964 ( -3.430 -4.479 -1.019) 5.733 28.964 ( -3.430 4.479 -1.019) 5.733 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 13.484 -2.338 -1.513) 13.769 1.775 ( 13.484 2.338 -1.513) 13.769 1.876 ( 11.168 -2.605 -2.127) 11.664 1.876 ( 11.168 2.605 -2.127) 11.664 2.207 ( 0.164 -1.055 -3.619) 3.773 2.207 ( 0.164 1.055 -3.619) 3.773 2.471 ( -8.834 -2.841 1.168) 9.353 2.471 ( -8.834 2.841 1.168) 9.353 2.919 ( -1.840 -4.160 0.789) 4.616 2.919 ( -1.840 4.160 0.789) 4.616 3.036 ( 0.469 -5.501 -2.344) 5.998 3.036 ( 0.469 5.501 -2.344) 5.998 3.273 ( -3.952 -3.946 -0.261) 5.591 3.273 ( -3.952 3.946 -0.261) 5.591 3.363 ( 0.502 -5.162 6.698) 8.472 3.363 ( 0.502 5.162 6.698) 8.472 3.585 ( -0.318 -9.726 -3.019) 10.189 3.585 ( -0.318 9.726 -3.019) 10.189 3.746 ( -2.751 -8.965 -1.249) 9.461 3.746 ( -2.751 8.965 -1.249) 9.461 4.180 ( 14.562 -7.170 0.446) 16.237 4.180 ( 14.562 7.170 0.446) 16.237 4.442 ( -8.313 -14.158 -1.109) 16.455 4.442 ( -8.313 14.158 -1.109) 16.455 5.127 ( -7.328 -3.474 -0.899) 8.160 5.127 ( -7.328 3.474 -0.899) 8.160 5.447 ( 7.808 -7.556 0.986) 10.910 5.447 ( 7.808 7.556 0.986) 10.910 5.708 ( -0.461 -6.824 -0.147) 6.841 5.708 ( -0.461 6.824 -0.147) 6.841 5.907 ( -0.930 -3.398 -1.321) 3.762 5.907 ( -0.930 3.398 -1.321) 3.762 6.028 ( 1.022 -4.197 2.870) 5.186 6.028 ( 1.022 4.197 2.870) 5.186 6.252 ( -0.077 -6.714 0.244) 6.718 6.252 ( -0.077 6.714 0.244) 6.718 6.841 ( 2.246 -9.470 -0.606) 9.752 6.841 ( 2.246 9.470 -0.606) 9.752 7.147 ( 0.326 -3.212 -4.731) 5.728 7.147 ( 0.326 3.212 -4.731) 5.728 7.297 ( -2.923 -5.145 2.321) 6.356 7.297 ( -2.923 5.145 2.321) 6.356 7.574 ( -0.032 -6.023 0.489) 6.043 7.574 ( -0.032 6.023 0.489) 6.043 7.989 ( -7.020 -11.670 -2.303) 13.812 7.989 ( -7.020 11.670 -2.303) 13.812 8.551 ( -4.366 -8.345 1.028) 9.474 8.551 ( -4.366 8.345 1.028) 9.474 8.818 ( -2.208 -3.212 1.333) 4.119 8.818 ( -2.208 3.212 1.333) 4.119 9.259 ( -0.323 -3.351 -1.979) 3.905 9.259 ( -0.323 3.351 -1.979) 3.905 9.607 ( 0.120 -5.936 -3.143) 6.718 9.607 ( 0.120 5.936 -3.143) 6.718 9.756 ( 1.186 -3.065 4.301) 5.413 9.756 ( 1.186 3.065 4.301) 5.413 10.218 ( -1.638 -1.174 1.352) 2.427 10.218 ( -1.638 1.174 1.352) 2.427 10.371 ( 2.580 -2.809 -3.336) 5.067 10.371 ( 2.580 2.809 -3.336) 5.067 10.491 ( 1.183 -4.100 0.813) 4.344 10.491 ( 1.183 4.100 0.813) 4.344 10.735 ( 1.700 -3.890 3.203) 5.318 10.735 ( 1.700 3.890 3.203) 5.318 10.980 ( -5.305 -5.581 -1.810) 7.910 10.980 ( -5.305 5.581 -1.810) 7.910 11.562 ( -0.002 -3.495 0.937) 3.618 11.562 ( -0.002 3.495 0.937) 3.618 12.002 ( 6.350 -8.364 -2.312) 10.753 12.002 ( 6.350 8.364 -2.312) 10.753 12.368 ( 1.142 -8.352 1.821) 8.624 12.368 ( 1.142 8.352 1.821) 8.624 12.849 ( -3.735 -2.513 -2.009) 4.929 12.849 ( -3.735 2.513 -2.009) 4.929 13.248 ( 1.946 -4.076 0.908) 4.607 13.248 ( 1.946 4.076 0.908) 4.607 13.589 ( -2.752 -1.139 1.620) 3.391 13.589 ( -2.752 1.139 1.620) 3.391 13.994 ( 0.510 -8.338 -2.854) 8.828 13.994 ( 0.510 8.338 -2.854) 8.828 14.486 ( 5.945 -5.495 1.337) 8.205 14.486 ( 5.945 5.495 1.337) 8.205 14.825 ( 6.084 -7.472 -1.764) 9.796 14.825 ( 6.084 7.472 -1.764) 9.796 15.253 ( -1.293 -6.118 1.734) 6.489 15.253 ( -1.293 6.118 1.734) 6.489 15.766 ( -5.049 -9.565 -3.687) 11.427 15.766 ( -5.049 9.565 -3.687) 11.427 16.291 ( -0.382 -4.976 -0.697) 5.039 16.291 ( -0.382 4.976 -0.697) 5.039 16.606 ( -2.774 -1.876 -1.935) 3.867 16.606 ( -2.774 1.876 -1.935) 3.867 17.950 ( -2.549 -10.920 2.149) 11.417 17.950 ( -2.549 10.920 2.149) 11.417 18.384 ( -3.367 -5.392 1.933) 6.644 18.384 ( -3.367 5.392 1.933) 6.644 18.697 ( -13.192 -5.972 -2.153) 14.640 18.697 ( -13.192 5.972 -2.153) 14.640 19.666 ( 2.046 -7.544 -4.259) 8.902 19.666 ( 2.046 7.544 -4.259) 8.902 22.595 ( 15.328 -7.253 4.325) 17.500 22.595 ( 15.328 7.253 4.325) 17.500 24.672 ( -5.858 -3.796 -1.094) 7.065 24.672 ( -5.858 3.796 -1.094) 7.065 26.837 ( -3.641 -10.370 -0.725) 11.015 26.837 ( -3.641 10.370 -0.725) 11.015 28.911 ( -1.902 -2.436 -0.585) 3.145 28.911 ( -1.902 2.436 -0.585) 3.145 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( 6.276 -3.390 1.629) 7.316 1.989 ( 6.276 3.390 1.629) 7.316 2.033 ( 3.615 -1.832 -3.853) 5.592 2.033 ( 3.615 1.832 -3.853) 5.592 2.216 ( 0.905 -0.778 -3.169) 3.387 2.216 ( 0.905 0.778 -3.169) 3.387 2.320 ( -4.831 -2.917 3.165) 6.470 2.320 ( -4.831 2.917 3.165) 6.470 2.847 ( -2.655 -2.572 0.867) 3.797 2.847 ( -2.655 2.572 0.867) 3.797 3.088 ( 2.501 -5.046 -2.656) 6.227 3.088 ( 2.501 5.046 -2.656) 6.227 3.200 ( -0.541 -1.740 1.797) 2.559 3.200 ( -0.541 1.740 1.797) 2.559 3.355 ( -2.813 -2.720 2.440) 4.611 3.355 ( -2.813 2.720 2.440) 4.611 3.508 ( -5.584 -6.130 -1.219) 8.381 3.508 ( -5.584 6.130 -1.219) 8.381 3.821 ( 10.614 -19.570 -1.265) 22.299 3.821 ( 10.614 19.570 -1.265) 22.299 4.161 ( -11.251 -18.361 0.319) 21.536 4.161 ( -11.251 18.361 0.319) 21.536 4.591 ( 13.340 -5.605 -0.350) 14.474 4.591 ( 13.340 5.605 -0.350) 14.474 4.983 ( -5.931 -1.304 -0.384) 6.085 4.983 ( -5.931 1.304 -0.384) 6.085 5.580 ( 2.700 -4.233 1.485) 5.235 5.580 ( 2.700 4.233 1.485) 5.235 5.680 ( 0.646 -5.627 -2.404) 6.153 5.680 ( 0.646 5.627 -2.404) 6.153 5.846 ( -3.881 -4.722 1.604) 6.319 5.846 ( -3.881 4.722 1.604) 6.319 6.074 ( 2.137 -2.656 0.065) 3.409 6.074 ( 2.137 2.656 0.065) 3.409 6.237 ( -0.878 -4.899 0.276) 4.984 6.237 ( -0.878 4.899 0.276) 4.984 6.878 ( 1.116 -9.763 0.056) 9.827 6.878 ( 1.116 9.763 0.056) 9.827 7.155 ( 0.423 -2.886 -3.089) 4.248 7.155 ( 0.423 2.886 -3.089) 4.248 7.245 ( -1.820 -4.929 2.045) 5.638 7.245 ( -1.820 4.929 2.045) 5.638 7.579 ( 0.241 -6.442 0.189) 6.450 7.579 ( 0.241 6.442 0.189) 6.450 7.882 ( -2.874 -6.440 -1.242) 7.161 7.882 ( -2.874 6.440 -1.242) 7.161 8.492 ( -1.475 -8.276 0.376) 8.415 8.492 ( -1.475 8.276 0.376) 8.415 8.790 ( -0.641 -1.515 0.697) 1.786 8.790 ( -0.641 1.515 0.697) 1.786 9.259 ( 0.122 -1.133 -1.028) 1.534 9.259 ( 0.122 1.133 -1.028) 1.534 9.602 ( -0.271 -7.059 -1.539) 7.230 9.602 ( -0.271 7.059 -1.539) 7.230 9.779 ( 0.757 -2.990 2.349) 3.877 9.779 ( 0.757 2.990 2.349) 3.877 10.185 ( -1.081 -0.901 -0.100) 1.410 10.185 ( -1.081 0.901 -0.100) 1.410 10.396 ( 0.120 -1.848 -0.834) 2.031 10.396 ( 0.120 1.848 -0.834) 2.031 10.538 ( 2.426 -3.627 0.813) 4.438 10.538 ( 2.426 3.627 0.813) 4.438 10.742 ( -0.851 -4.987 0.719) 5.110 10.742 ( -0.851 4.987 0.719) 5.110 10.900 ( -1.872 -2.865 -0.876) 3.533 10.900 ( -1.872 2.865 -0.876) 3.533 11.557 ( -0.204 -6.086 0.436) 6.105 11.557 ( -0.204 6.086 0.436) 6.105 12.098 ( 2.510 -3.617 -0.982) 4.511 12.098 ( 2.510 3.617 -0.982) 4.511 12.389 ( 0.624 -4.574 1.084) 4.742 12.389 ( 0.624 4.574 1.084) 4.742 12.790 ( -1.552 -3.620 -0.925) 4.046 12.790 ( -1.552 3.620 -0.925) 4.046 13.289 ( 1.465 -5.896 0.595) 6.104 13.289 ( 1.465 5.896 0.595) 6.104 13.544 ( -1.381 -0.761 0.186) 1.588 13.544 ( -1.381 0.761 0.186) 1.588 14.006 ( 0.372 -3.590 -1.050) 3.759 14.006 ( 0.372 3.590 -1.050) 3.759 14.571 ( 2.180 -5.325 0.567) 5.782 14.571 ( 2.180 5.325 0.567) 5.782 14.929 ( 3.272 -6.041 -1.171) 6.970 14.929 ( 3.272 6.041 -1.171) 6.970 15.226 ( -1.006 -3.844 1.800) 4.362 15.226 ( -1.006 3.844 1.800) 4.362 15.683 ( -2.408 -5.377 -2.097) 6.254 15.683 ( -2.408 5.377 -2.097) 6.254 16.286 ( -0.069 -2.190 -0.022) 2.191 16.286 ( -0.069 2.190 -0.022) 2.191 16.582 ( -0.353 -2.230 -0.986) 2.464 16.582 ( -0.353 2.230 -0.986) 2.464 17.947 ( 1.223 -10.486 1.458) 10.658 17.947 ( 1.223 10.486 1.458) 10.658 18.292 ( -4.526 -9.354 0.378) 10.399 18.292 ( -4.526 9.354 0.378) 10.399 18.515 ( -4.000 -1.319 -1.021) 4.334 18.515 ( -4.000 1.319 -1.021) 4.334 19.696 ( 0.760 -7.241 -1.352) 7.405 19.696 ( 0.760 7.241 -1.352) 7.405 22.798 ( 4.954 -3.308 1.447) 6.130 22.798 ( 4.954 3.308 1.447) 6.130 24.583 ( -2.406 -1.942 -0.567) 3.143 24.583 ( -2.406 1.942 -0.567) 3.143 26.789 ( -1.113 -9.138 -0.317) 9.211 26.789 ( -1.113 9.138 -0.317) 9.211 28.885 ( -0.628 -1.117 -0.180) 1.294 28.885 ( -0.628 1.117 -0.180) 1.294 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -1.740 0.000 28.027) 28.081 0.630 ( -1.845 0.000 32.361) 32.413 1.245 ( -4.944 0.000 64.778) 64.966 1.952 ( 0.240 0.000 15.347) 15.349 2.112 ( -0.397 0.000 -3.482) 3.505 2.241 ( -1.594 0.000 8.093) 8.248 2.447 ( -1.808 0.000 12.442) 12.573 2.600 ( -0.121 0.000 20.361) 20.361 2.661 ( 1.352 0.000 10.705) 10.790 2.784 ( 0.268 0.000 6.259) 6.265 2.941 ( -0.728 0.000 5.682) 5.729 2.998 ( -1.182 0.000 1.672) 2.047 3.322 ( -0.626 0.000 -18.810) 18.820 3.452 ( -1.453 0.000 20.243) 20.295 3.591 ( 0.724 0.000 6.033) 6.076 3.754 ( -0.767 0.000 0.947) 1.219 3.812 ( 1.174 0.000 -0.839) 1.443 3.917 ( 0.706 0.000 3.086) 3.166 4.202 ( -0.314 0.000 12.680) 12.684 4.213 ( 1.912 0.000 14.385) 14.512 4.443 ( 1.386 0.000 2.629) 2.972 4.730 ( 0.064 0.000 4.528) 4.529 4.901 ( 0.478 0.000 -1.546) 1.618 4.931 ( -2.413 0.000 0.440) 2.452 4.969 ( -0.889 0.000 0.139) 0.900 5.071 ( 2.435 0.000 2.275) 3.332 5.227 ( 5.308 0.000 -1.200) 5.442 5.311 ( -4.200 0.000 -0.253) 4.208 5.431 ( 5.170 0.000 -1.918) 5.515 5.461 ( -1.824 0.000 -1.298) 2.239 5.736 ( 2.175 0.000 -6.363) 6.725 5.847 ( 3.804 0.000 -5.404) 6.609 5.895 ( -0.446 0.000 -5.019) 5.039 5.912 ( -4.289 0.000 -5.146) 6.699 6.110 ( -1.864 0.000 2.336) 2.989 6.276 ( 0.409 0.000 0.226) 0.467 6.294 ( 1.439 0.000 -1.020) 1.764 6.861 ( 1.376 0.000 -4.505) 4.711 6.885 ( -1.663 0.000 -2.992) 3.423 7.378 ( -0.862 0.000 -0.101) 0.868 7.415 ( -0.975 0.000 4.827) 4.924 7.588 ( -0.081 0.000 4.874) 4.874 7.664 ( 1.150 0.000 0.350) 1.202 7.871 ( 2.489 0.000 -2.854) 3.787 8.016 ( -8.547 0.000 3.434) 9.211 8.367 ( 1.017 0.000 -5.302) 5.398 8.526 ( -2.365 0.000 -0.098) 2.367 8.732 ( 2.198 0.000 -10.872) 11.092 8.935 ( -0.360 0.000 2.150) 2.179 9.105 ( -4.096 0.000 -6.978) 8.091 9.196 ( 1.711 0.000 -1.695) 2.409 9.475 ( -0.195 0.000 -8.281) 8.283 9.573 ( 7.291 0.000 -1.212) 7.391 9.624 ( 4.501 0.000 -8.637) 9.740 9.807 ( 0.925 0.000 -5.086) 5.170 10.091 ( -1.925 0.000 -3.232) 3.761 10.098 ( 9.288 0.000 -3.612) 9.965 10.199 ( 0.090 0.000 -1.488) 1.491 10.259 ( -3.875 0.000 4.886) 6.236 10.296 ( -2.884 0.000 -4.774) 5.578 10.611 ( 10.976 0.000 6.857) 12.942 10.619 ( 0.653 0.000 16.687) 16.699 10.703 ( 2.763 0.000 1.131) 2.986 10.914 ( 1.791 0.000 -0.561) 1.877 11.185 ( 3.274 0.000 4.837) 5.841 11.296 ( -4.200 0.000 4.236) 5.965 11.345 ( -5.405 0.000 7.540) 9.277 11.622 ( 0.819 0.000 2.799) 2.917 11.851 ( -13.311 0.000 2.580) 13.558 12.031 ( 0.625 0.000 2.689) 2.761 12.293 ( 2.363 0.000 2.537) 3.467 12.635 ( -6.026 0.000 -1.363) 6.178 12.726 ( 14.956 0.000 2.532) 15.169 12.884 ( -3.405 0.000 -6.549) 7.382 13.056 ( 0.126 0.000 -1.089) 1.096 13.138 ( -1.055 0.000 -3.387) 3.548 13.374 ( -1.117 0.000 -1.540) 1.903 13.660 ( -0.464 0.000 -7.884) 7.897 13.776 ( 3.620 0.000 -1.520) 3.926 13.980 ( -0.027 0.000 -4.934) 4.934 14.158 ( 0.167 0.000 -4.522) 4.525 14.485 ( -3.365 0.000 -9.127) 9.728 14.628 ( 2.956 0.000 5.504) 6.247 14.926 ( 0.419 0.000 5.015) 5.032 15.116 ( -4.371 0.000 6.196) 7.582 15.324 ( -0.484 0.000 21.476) 21.482 15.658 ( -1.924 0.000 5.649) 5.968 15.935 ( -1.397 0.000 4.282) 4.504 16.057 ( -3.945 0.000 16.690) 17.150 16.447 ( -2.494 0.000 2.211) 3.333 17.276 ( -0.316 0.000 17.225) 17.228 17.712 ( -0.327 0.000 7.289) 7.296 18.121 ( 4.318 0.000 -4.045) 5.916 18.307 ( 1.259 0.000 -6.159) 6.286 18.631 ( 10.844 0.000 2.478) 11.124 18.785 ( -3.136 0.000 -1.654) 3.546 19.148 ( 5.662 0.000 -7.949) 9.759 19.341 ( -6.318 0.000 -3.375) 7.163 19.797 ( -46.734 0.000 1.882) 46.771 20.315 ( -24.550 0.000 -6.434) 25.379 20.862 ( 26.893 0.000 28.733) 39.355 23.007 ( 24.056 0.000 4.447) 24.464 24.562 ( -0.472 0.000 -3.677) 3.707 24.999 ( -0.856 0.000 -6.054) 6.115 26.468 ( -0.734 0.000 1.023) 1.259 27.981 ( 28.262 0.000 -4.332) 28.592 28.830 ( 4.272 0.000 4.072) 5.901 29.090 ( -22.312 0.000 -2.868) 22.495 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 23.232 0.000 16.122) 28.278 0.839 ( 20.478 0.000 22.377) 30.333 1.600 ( 33.982 0.000 44.839) 56.261 1.996 ( 3.509 0.000 13.637) 14.081 2.094 ( -2.951 0.000 1.861) 3.488 2.167 ( -3.187 0.000 3.819) 4.975 2.420 ( -0.563 0.000 15.702) 15.712 2.549 ( -4.225 0.000 12.792) 13.472 2.691 ( -0.705 0.000 17.211) 17.226 2.784 ( 2.047 0.000 4.201) 4.673 2.888 ( -2.015 0.000 7.984) 8.234 3.015 ( 1.773 0.000 0.804) 1.947 3.239 ( -6.810 0.000 -14.998) 16.471 3.458 ( 0.646 0.000 15.097) 15.111 3.598 ( -1.322 0.000 6.966) 7.091 3.625 ( -8.726 0.000 -1.416) 8.840 3.732 ( -9.429 0.000 4.819) 10.589 3.894 ( 1.994 0.000 0.116) 1.997 4.068 ( -11.878 0.000 13.955) 18.326 4.094 ( -9.643 0.000 7.772) 12.386 4.484 ( 0.864 0.000 6.403) 6.461 4.723 ( -5.651 0.000 2.481) 6.172 4.831 ( 1.578 0.000 4.469) 4.739 4.916 ( -0.774 0.000 1.813) 1.971 4.952 ( 0.996 0.000 -2.578) 2.764 5.160 ( 0.317 0.000 -4.725) 4.736 5.168 ( -0.219 0.000 0.678) 0.713 5.331 ( -7.307 0.000 -1.196) 7.404 5.543 ( 11.846 0.000 -1.906) 11.999 5.592 ( 7.905 0.000 0.814) 7.947 5.702 ( -6.239 0.000 -3.773) 7.291 5.906 ( 0.959 0.000 -4.751) 4.847 5.944 ( 5.666 0.000 -7.607) 9.485 6.008 ( 9.943 0.000 -7.924) 12.715 6.048 ( -1.197 0.000 -1.004) 1.562 6.283 ( -0.622 0.000 -2.429) 2.508 6.352 ( 4.409 0.000 1.661) 4.712 6.841 ( -1.966 0.000 -4.770) 5.160 6.916 ( 3.279 0.000 -3.053) 4.480 7.316 ( -3.116 0.000 -2.068) 3.740 7.367 ( -5.928 0.000 13.803) 15.022 7.512 ( -5.774 0.000 5.339) 7.864 7.643 ( -2.606 0.000 -0.572) 2.668 7.868 ( -4.321 0.000 13.109) 13.802 7.926 ( 2.185 0.000 0.677) 2.287 8.282 ( -7.674 0.000 10.842) 13.283 8.476 ( -1.585 0.000 -3.309) 3.669 8.717 ( -4.537 0.000 -8.090) 9.275 8.985 ( 4.391 0.000 2.045) 4.844 9.008 ( -4.042 0.000 -8.421) 9.341 9.256 ( 1.100 0.000 0.657) 1.282 9.441 ( -5.975 0.000 2.137) 6.346 9.481 ( -4.603 0.000 3.461) 5.759 9.610 ( -2.717 0.000 -15.090) 15.333 9.796 ( -1.664 0.000 -5.290) 5.545 9.993 ( -5.332 0.000 -11.784) 12.934 10.127 ( -2.907 0.000 0.327) 2.925 10.140 ( -1.128 0.000 13.386) 13.433 10.237 ( 1.258 0.000 -5.834) 5.968 10.251 ( -1.628 0.000 -2.515) 2.996 10.505 ( -3.806 0.000 4.100) 5.594 10.727 ( 2.911 0.000 15.086) 15.364 10.773 ( 3.613 0.000 9.088) 9.780 10.923 ( -2.791 0.000 20.405) 20.595 11.175 ( -4.624 0.000 5.468) 7.161 11.253 ( -0.341 0.000 2.513) 2.536 11.332 ( 5.073 0.000 3.404) 6.109 11.487 ( -1.712 0.000 4.543) 4.855 11.754 ( 5.055 0.000 4.560) 6.808 11.982 ( -5.207 0.000 3.919) 6.517 12.452 ( 7.691 0.000 -4.098) 8.714 12.521 ( -2.751 0.000 1.858) 3.319 12.806 ( -2.496 0.000 -7.212) 7.631 12.961 ( -4.054 0.000 -7.855) 8.840 13.074 ( -0.268 0.000 -3.118) 3.129 13.351 ( -2.028 0.000 -1.967) 2.825 13.475 ( 17.193 0.000 -8.195) 19.047 13.670 ( 2.151 0.000 -12.835) 13.014 13.860 ( 4.602 0.000 -11.799) 12.665 13.956 ( -1.047 0.000 -3.417) 3.574 14.167 ( 1.288 0.000 -7.483) 7.593 14.490 ( 2.336 0.000 -8.348) 8.669 14.767 ( 7.453 0.000 7.572) 10.625 14.897 ( -0.223 0.000 5.840) 5.844 15.078 ( 2.649 0.000 2.421) 3.589 15.302 ( -1.635 0.000 18.856) 18.927 15.650 ( 0.248 0.000 9.807) 9.810 15.923 ( 0.279 0.000 7.039) 7.045 16.004 ( -0.548 0.000 12.628) 12.640 16.432 ( 0.774 0.000 2.473) 2.592 17.096 ( -18.546 0.000 23.230) 29.725 17.560 ( -22.409 0.000 24.403) 33.131 17.778 ( -12.006 0.000 22.033) 25.091 18.343 ( 1.223 0.000 -7.290) 7.392 18.520 ( -7.562 0.000 1.192) 7.656 18.675 ( -9.475 0.000 4.758) 10.603 19.035 ( -9.925 0.000 1.945) 10.114 19.166 ( -0.377 0.000 -1.737) 1.777 19.324 ( -8.214 0.000 -7.133) 10.879 19.896 ( -10.849 0.000 1.370) 10.935 21.540 ( 34.027 0.000 20.748) 39.854 23.128 ( -4.621 0.000 3.358) 5.712 24.543 ( -1.584 0.000 -3.950) 4.256 24.933 ( -4.476 0.000 -4.932) 6.660 26.466 ( 0.414 0.000 0.460) 0.619 27.743 ( -26.628 0.000 10.485) 28.618 28.785 ( -2.262 0.000 0.374) 2.292 29.073 ( 5.934 0.000 -2.496) 6.438 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 24.641 0.000 13.523) 28.107 1.355 ( 26.230 0.000 7.607) 27.310 1.940 ( -5.663 0.000 -0.691) 5.705 2.127 ( 5.928 0.000 19.236) 20.129 2.185 ( 4.033 0.000 2.973) 5.010 2.350 ( 29.020 0.000 15.579) 32.937 2.399 ( 1.081 0.000 14.792) 14.832 2.488 ( -0.558 0.000 9.544) 9.561 2.648 ( -1.621 0.000 20.326) 20.390 2.873 ( 3.528 0.000 4.875) 6.018 2.918 ( 6.746 0.000 10.249) 12.270 2.992 ( -5.838 0.000 -4.421) 7.323 3.114 ( -3.576 0.000 -1.074) 3.734 3.418 ( -5.963 0.000 9.372) 11.108 3.471 ( -6.523 0.000 2.862) 7.124 3.501 ( -6.141 0.000 7.267) 9.514 3.549 ( -4.764 0.000 0.586) 4.800 3.792 ( -13.714 0.000 12.642) 18.651 3.867 ( -12.059 0.000 2.860) 12.393 3.995 ( 3.986 0.000 -3.246) 5.140 4.493 ( -0.871 0.000 5.468) 5.537 4.556 ( -6.951 0.000 3.251) 7.673 4.815 ( -5.537 0.000 -0.124) 5.539 4.871 ( -8.227 0.000 1.022) 8.291 4.938 ( 1.098 0.000 2.091) 2.362 5.085 ( -0.594 0.000 3.483) 3.534 5.253 ( 5.507 0.000 -3.831) 6.709 5.378 ( 8.129 0.000 1.087) 8.201 5.562 ( -4.753 0.000 -1.881) 5.112 5.651 ( -2.544 0.000 2.137) 3.322 5.723 ( 5.065 0.000 0.563) 5.096 5.923 ( 3.789 0.000 -2.141) 4.352 6.022 ( 2.893 0.000 -3.005) 4.171 6.106 ( 1.151 0.000 -4.917) 5.050 6.176 ( 5.477 0.000 -6.603) 8.578 6.292 ( 3.611 0.000 -6.699) 7.611 6.435 ( 3.231 0.000 3.404) 4.693 6.813 ( -0.711 0.000 -4.754) 4.807 6.983 ( 3.307 0.000 -2.975) 4.448 7.231 ( -3.856 0.000 12.205) 12.800 7.295 ( -0.409 0.000 7.124) 7.135 7.404 ( -4.718 0.000 2.310) 5.254 7.592 ( -1.793 0.000 1.751) 2.506 7.819 ( -1.466 0.000 19.005) 19.061 7.941 ( -1.091 0.000 7.875) 7.951 8.153 ( -4.294 0.000 2.954) 5.212 8.423 ( -4.109 0.000 -1.616) 4.415 8.595 ( -5.476 0.000 -7.415) 9.218 8.937 ( -3.644 0.000 -5.441) 6.548 9.026 ( -1.690 0.000 0.552) 1.777 9.254 ( 1.770 0.000 1.751) 2.490 9.378 ( -0.835 0.000 -0.111) 0.842 9.479 ( 2.044 0.000 -3.306) 3.887 9.596 ( 1.155 0.000 -13.088) 13.139 9.743 ( -3.727 0.000 -4.588) 5.912 9.914 ( -2.165 0.000 -12.993) 13.172 10.105 ( -0.669 0.000 -4.878) 4.923 10.131 ( -0.945 0.000 14.859) 14.889 10.224 ( -0.276 0.000 -5.893) 5.899 10.274 ( 3.024 0.000 -2.535) 3.946 10.506 ( 2.348 0.000 2.179) 3.204 10.727 ( -6.038 0.000 9.960) 11.648 10.770 ( -0.413 0.000 13.789) 13.795 10.931 ( 3.448 0.000 21.223) 21.501 11.064 ( -5.335 0.000 8.971) 10.438 11.286 ( -4.169 0.000 4.760) 6.327 11.350 ( 4.211 0.000 -2.337) 4.816 11.621 ( 10.558 0.000 -1.697) 10.693 11.808 ( -3.885 0.000 7.745) 8.664 11.925 ( 4.599 0.000 -3.464) 5.758 12.462 ( -1.500 0.000 -1.479) 2.106 12.607 ( 5.096 0.000 -0.345) 5.107 12.765 ( -2.768 0.000 -5.320) 5.997 12.871 ( -2.979 0.000 -6.698) 7.331 13.044 ( -1.792 0.000 -3.030) 3.520 13.318 ( -0.424 0.000 -1.919) 1.966 13.603 ( 0.622 0.000 -4.342) 4.386 13.677 ( -0.219 0.000 -2.245) 2.256 13.775 ( -8.893 0.000 -4.792) 10.102 14.059 ( 5.371 0.000 -5.325) 7.564 14.231 ( 4.162 0.000 -7.930) 8.956 14.548 ( 3.906 0.000 -9.036) 9.844 14.746 ( -3.297 0.000 7.738) 8.411 15.071 ( 8.888 0.000 -0.546) 8.905 15.186 ( 5.620 0.000 -0.013) 5.620 15.284 ( 2.269 0.000 18.817) 18.953 15.647 ( -1.155 0.000 10.277) 10.341 15.967 ( 5.259 0.000 7.815) 9.420 16.050 ( 4.316 0.000 10.376) 11.238 16.447 ( -0.390 0.000 3.050) 3.075 16.722 ( -14.118 0.000 22.385) 26.465 17.147 ( -17.591 0.000 29.036) 33.950 17.691 ( -2.000 0.000 6.604) 6.900 18.308 ( -8.016 0.000 -0.779) 8.054 18.359 ( -5.465 0.000 -3.351) 6.410 18.562 ( -1.688 0.000 6.057) 6.288 18.788 ( -11.790 0.000 0.417) 11.797 19.087 ( -11.375 0.000 -6.323) 13.014 19.244 ( 2.920 0.000 -5.805) 6.498 19.829 ( 0.792 0.000 0.324) 0.855 22.167 ( 26.657 0.000 15.092) 30.633 23.042 ( -2.819 0.000 5.281) 5.986 24.500 ( -2.323 0.000 -3.883) 4.525 24.821 ( -6.407 0.000 -6.245) 8.947 26.479 ( 0.821 0.000 -0.192) 0.843 27.343 ( -13.715 0.000 5.701) 14.853 28.767 ( -0.207 0.000 -2.516) 2.524 29.101 ( -1.591 0.000 1.841) 2.434 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 19.732 0.000 11.796) 22.989 1.859 ( 18.892 0.000 4.314) 19.378 1.908 ( 7.483 0.000 2.618) 7.928 2.239 ( 5.088 0.000 16.158) 16.940 2.292 ( 4.923 0.000 4.130) 6.426 2.371 ( 1.033 0.000 8.772) 8.833 2.493 ( -0.227 0.000 7.119) 7.123 2.615 ( -0.569 0.000 17.933) 17.942 2.677 ( -2.454 0.000 8.753) 9.090 2.812 ( -3.170 0.000 -4.889) 5.827 2.900 ( -2.922 0.000 1.802) 3.433 3.095 ( 2.210 0.000 8.994) 9.261 3.162 ( 3.736 0.000 0.238) 3.743 3.277 ( -3.311 0.000 7.540) 8.235 3.347 ( -9.506 0.000 4.342) 10.451 3.406 ( 0.572 0.000 12.519) 12.532 3.533 ( -7.283 0.000 7.058) 10.142 3.590 ( -8.850 0.000 5.870) 10.620 3.725 ( 13.527 0.000 4.232) 14.173 3.895 ( -12.101 0.000 2.484) 12.353 4.410 ( -12.852 0.000 0.170) 12.853 4.496 ( 5.756 0.000 -2.008) 6.096 4.711 ( -0.219 0.000 2.360) 2.370 4.805 ( 1.701 0.000 0.791) 1.876 4.988 ( 3.213 0.000 4.584) 5.598 5.119 ( 2.441 0.000 5.335) 5.867 5.270 ( -3.924 0.000 2.866) 4.859 5.395 ( -4.047 0.000 1.009) 4.171 5.542 ( -4.311 0.000 3.162) 5.346 5.670 ( 8.574 0.000 -4.215) 9.554 5.827 ( 4.033 0.000 -0.926) 4.138 5.924 ( -6.701 0.000 -3.045) 7.361 6.025 ( 0.361 0.000 -0.320) 0.482 6.141 ( 4.128 0.000 -0.494) 4.157 6.268 ( 2.992 0.000 -7.728) 8.288 6.369 ( 1.928 0.000 -7.379) 7.627 6.509 ( 5.263 0.000 6.337) 8.237 6.818 ( 1.391 0.000 -5.020) 5.209 7.048 ( 2.531 0.000 -3.502) 4.321 7.207 ( 0.637 0.000 5.334) 5.372 7.249 ( -3.739 0.000 4.373) 5.754 7.379 ( 2.134 0.000 7.043) 7.359 7.588 ( 1.388 0.000 3.348) 3.624 7.789 ( -1.637 0.000 24.531) 24.585 7.895 ( -2.782 0.000 3.492) 4.465 8.082 ( -4.254 0.000 -2.655) 5.014 8.318 ( -5.045 0.000 1.467) 5.254 8.532 ( -0.481 0.000 -5.364) 5.386 8.843 ( -4.266 0.000 -8.021) 9.085 8.996 ( -1.217 0.000 3.179) 3.404 9.261 ( -1.403 0.000 -5.724) 5.893 9.353 ( -1.490 0.000 -2.232) 2.684 9.558 ( 3.670 0.000 1.797) 4.086 9.623 ( 0.572 0.000 -8.113) 8.133 9.681 ( -0.279 0.000 -7.230) 7.235 9.899 ( 0.186 0.000 -13.178) 13.179 10.068 ( -2.792 0.000 -13.210) 13.502 10.113 ( 0.107 0.000 11.473) 11.473 10.256 ( 2.870 0.000 3.190) 4.291 10.329 ( 1.350 0.000 -1.691) 2.164 10.546 ( -3.085 0.000 9.710) 10.189 10.600 ( -1.501 0.000 2.005) 2.505 10.743 ( -1.564 0.000 15.654) 15.732 10.935 ( -6.848 0.000 5.183) 8.589 11.028 ( 4.624 0.000 16.730) 17.357 11.181 ( -4.475 0.000 8.862) 9.927 11.408 ( 0.625 0.000 -0.381) 0.732 11.731 ( -1.475 0.000 5.420) 5.617 11.863 ( 11.761 0.000 -2.304) 11.984 12.057 ( 6.889 0.000 -5.002) 8.514 12.442 ( -1.209 0.000 -2.732) 2.987 12.637 ( -1.216 0.000 -2.286) 2.590 12.667 ( -5.940 0.000 -1.241) 6.069 12.860 ( 0.256 0.000 -9.881) 9.885 13.040 ( 1.181 0.000 1.792) 2.146 13.336 ( 1.811 0.000 -0.094) 1.813 13.514 ( -5.734 0.000 -4.443) 7.254 13.598 ( -7.454 0.000 -4.973) 8.960 13.769 ( 7.281 0.000 -2.545) 7.713 14.135 ( 2.274 0.000 -2.778) 3.590 14.263 ( -1.558 0.000 -8.916) 9.051 14.656 ( 6.094 0.000 0.649) 6.129 14.697 ( -1.361 0.000 0.008) 1.361 15.134 ( -1.013 0.000 0.811) 1.297 15.312 ( 8.182 0.000 10.424) 13.251 15.440 ( 10.354 0.000 20.879) 23.306 15.588 ( -4.398 0.000 4.134) 6.036 16.111 ( 5.202 0.000 18.127) 18.859 16.174 ( 8.970 0.000 4.599) 10.081 16.369 ( -7.181 0.000 3.679) 8.069 16.531 ( -5.702 0.000 13.967) 15.086 16.852 ( -10.348 0.000 21.141) 23.538 17.665 ( -0.724 0.000 3.620) 3.691 18.110 ( -8.882 0.000 -0.922) 8.929 18.286 ( -2.862 0.000 1.729) 3.344 18.545 ( -0.571 0.000 3.431) 3.478 18.597 ( -6.847 0.000 -1.123) 6.939 18.822 ( -13.541 0.000 -4.472) 14.261 19.324 ( 4.327 0.000 -5.519) 7.013 19.859 ( 1.602 0.000 0.280) 1.627 22.604 ( 15.909 0.000 10.333) 18.970 23.017 ( 0.039 0.000 5.673) 5.673 24.460 ( -1.249 0.000 -4.278) 4.457 24.684 ( -6.649 0.000 -6.450) 9.264 26.496 ( 0.732 0.000 -1.055) 1.284 27.142 ( -6.684 0.000 1.713) 6.900 28.770 ( 0.632 0.000 -2.605) 2.681 29.049 ( -2.942 0.000 4.000) 4.965 ======================= Grid point 49 (20/96) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 8.480 0.000 5.651) 10.191 2.091 ( 10.423 0.000 13.452) 17.017 2.172 ( -3.615 0.000 4.903) 6.092 2.308 ( 2.234 0.000 8.544) 8.831 2.387 ( 8.997 0.000 11.387) 14.512 2.464 ( 9.396 0.000 11.418) 14.787 2.488 ( 2.466 0.000 -1.295) 2.785 2.585 ( -0.670 0.000 19.750) 19.761 2.644 ( -1.266 0.000 8.939) 9.028 2.795 ( -2.802 0.000 1.702) 3.279 2.837 ( -3.683 0.000 2.176) 4.278 2.936 ( -9.414 0.000 0.462) 9.425 3.167 ( 0.493 0.000 0.960) 1.079 3.216 ( -0.571 0.000 9.663) 9.680 3.310 ( 0.536 0.000 2.878) 2.927 3.361 ( -4.646 0.000 1.192) 4.797 3.406 ( -4.686 0.000 0.453) 4.708 3.532 ( -15.237 0.000 3.265) 15.583 3.617 ( 13.964 0.000 11.864) 18.323 3.919 ( -11.231 0.000 11.078) 15.775 4.437 ( 20.218 0.000 5.209) 20.879 4.615 ( 3.570 0.000 -4.684) 5.889 4.691 ( -3.664 0.000 -1.701) 4.039 4.842 ( -0.776 0.000 1.054) 1.309 5.023 ( -1.463 0.000 6.954) 7.106 5.115 ( -2.798 0.000 6.899) 7.445 5.274 ( 7.058 0.000 2.993) 7.666 5.349 ( 0.397 0.000 1.977) 2.017 5.447 ( -2.314 0.000 4.876) 5.397 5.610 ( -14.952 0.000 -0.208) 14.953 5.846 ( 5.139 0.000 -4.759) 7.004 5.921 ( -1.164 0.000 -4.604) 4.749 6.065 ( 3.587 0.000 -0.420) 3.611 6.187 ( -0.389 0.000 1.591) 1.638 6.287 ( -0.680 0.000 -8.227) 8.255 6.389 ( 1.139 0.000 -6.402) 6.502 6.620 ( 3.605 0.000 6.008) 7.006 6.861 ( 2.288 0.000 -3.276) 3.995 7.060 ( -0.939 0.000 -4.393) 4.492 7.205 ( 1.126 0.000 -10.097) 10.160 7.255 ( 2.352 0.000 15.073) 15.256 7.433 ( 2.768 0.000 6.541) 7.103 7.623 ( 0.668 0.000 5.557) 5.597 7.768 ( 0.647 0.000 19.345) 19.356 7.805 ( -7.911 0.000 1.023) 7.977 7.989 ( -1.546 0.000 3.659) 3.972 8.263 ( -0.611 0.000 3.224) 3.281 8.560 ( 2.291 0.000 -1.677) 2.839 8.808 ( 1.229 0.000 -9.850) 9.926 8.961 ( -2.092 0.000 1.795) 2.757 9.226 ( -1.521 0.000 -7.875) 8.020 9.326 ( -1.097 0.000 0.747) 1.327 9.561 ( -1.582 0.000 -0.950) 1.845 9.637 ( 0.977 0.000 -8.471) 8.527 9.733 ( 2.757 0.000 -1.544) 3.160 9.909 ( 0.958 0.000 -16.477) 16.505 10.026 ( -0.439 0.000 -13.898) 13.905 10.137 ( 1.417 0.000 11.844) 11.929 10.312 ( 0.183 0.000 -3.384) 3.389 10.320 ( 0.414 0.000 4.519) 4.537 10.415 ( -6.538 0.000 8.728) 10.905 10.591 ( -2.319 0.000 11.372) 11.606 10.754 ( -0.546 0.000 4.790) 4.821 10.819 ( -0.414 0.000 5.064) 5.080 11.097 ( -3.099 0.000 16.119) 16.414 11.126 ( 3.406 0.000 10.358) 10.904 11.417 ( 1.078 0.000 3.740) 3.892 11.718 ( -0.240 0.000 4.858) 4.864 12.068 ( 7.329 0.000 -5.789) 9.339 12.194 ( 6.574 0.000 -4.425) 7.924 12.398 ( -2.648 0.000 -2.345) 3.537 12.540 ( -6.717 0.000 -0.980) 6.788 12.611 ( -0.918 0.000 -3.812) 3.921 12.852 ( -0.174 0.000 -8.894) 8.895 13.054 ( -0.477 0.000 5.832) 5.851 13.362 ( 0.029 0.000 -0.709) 0.709 13.447 ( -1.464 0.000 -6.994) 7.145 13.496 ( -1.218 0.000 -4.468) 4.631 13.933 ( 7.912 0.000 -4.519) 9.112 14.147 ( -1.193 0.000 -4.170) 4.338 14.191 ( -4.173 0.000 -5.125) 6.609 14.657 ( -2.162 0.000 0.315) 2.185 14.794 ( 6.045 0.000 0.734) 6.090 15.110 ( -1.312 0.000 3.095) 3.361 15.410 ( -4.252 0.000 8.532) 9.532 15.512 ( 4.673 0.000 17.236) 17.858 15.712 ( 14.032 0.000 15.082) 20.600 16.063 ( -10.018 0.000 20.379) 22.708 16.272 ( 0.904 0.000 8.366) 8.414 16.381 ( 7.193 0.000 6.859) 9.939 16.452 ( -1.399 0.000 10.093) 10.189 16.730 ( -2.610 0.000 13.917) 14.159 17.646 ( -1.719 0.000 0.061) 1.720 17.976 ( -3.396 0.000 -0.650) 3.457 18.251 ( -1.231 0.000 1.288) 1.782 18.491 ( -3.770 0.000 -0.223) 3.776 18.541 ( -1.539 0.000 -2.000) 2.523 18.605 ( -3.839 0.000 0.531) 3.876 19.409 ( 3.844 0.000 -3.352) 5.100 19.887 ( 1.152 0.000 0.810) 1.408 22.811 ( 4.894 0.000 6.424) 8.076 23.016 ( -1.381 0.000 6.339) 6.488 24.463 ( 1.596 0.000 -4.565) 4.836 24.571 ( -3.810 0.000 -5.426) 6.630 26.509 ( 0.660 0.000 -1.536) 1.671 27.057 ( -1.849 0.000 0.619) 1.950 28.797 ( 2.092 0.000 -1.771) 2.741 28.992 ( -2.555 0.000 4.415) 5.101 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( -7.494 0.000 4.869) 8.937 2.138 ( -3.607 0.000 9.395) 10.063 2.264 ( -9.038 0.000 16.762) 19.043 2.297 ( 7.470 0.000 4.751) 8.853 2.432 ( -6.411 0.000 5.009) 8.136 2.459 ( 1.012 0.000 14.846) 14.881 2.536 ( -4.279 0.000 12.425) 13.141 2.585 ( -0.686 0.000 7.843) 7.873 2.637 ( -2.040 0.000 5.982) 6.320 2.751 ( 5.664 0.000 -0.462) 5.683 2.861 ( 4.526 0.000 8.176) 9.345 2.940 ( 8.773 0.000 1.170) 8.851 3.199 ( 1.874 0.000 3.136) 3.653 3.242 ( 0.815 0.000 7.168) 7.214 3.285 ( -4.916 0.000 5.119) 7.097 3.320 ( 2.340 0.000 2.297) 3.279 3.358 ( 4.751 0.000 -1.225) 4.906 3.535 ( 13.444 0.000 2.900) 13.754 3.631 ( -11.688 0.000 9.132) 14.832 3.940 ( 12.306 0.000 12.502) 17.543 4.423 ( -18.401 0.000 4.894) 19.041 4.590 ( -3.570 0.000 -3.682) 5.128 4.756 ( 1.665 0.000 -3.603) 3.969 4.895 ( 7.473 0.000 4.620) 8.786 4.999 ( -1.406 0.000 5.523) 5.699 5.073 ( 1.019 0.000 7.145) 7.218 5.273 ( -9.823 0.000 2.698) 10.187 5.356 ( -2.186 0.000 2.545) 3.355 5.433 ( 7.104 0.000 4.632) 8.481 5.606 ( 13.045 0.000 -1.163) 13.096 5.828 ( -7.287 0.000 -6.261) 9.608 5.926 ( 2.835 0.000 -3.455) 4.469 6.058 ( -5.870 0.000 0.050) 5.870 6.162 ( -1.175 0.000 1.254) 1.718 6.273 ( -0.222 0.000 -7.785) 7.789 6.412 ( 0.200 0.000 -5.433) 5.437 6.609 ( -4.144 0.000 3.744) 5.585 6.897 ( 1.035 0.000 -1.456) 1.786 7.052 ( -0.033 0.000 -3.669) 3.669 7.232 ( 1.233 0.000 -10.285) 10.359 7.300 ( 1.183 0.000 13.231) 13.284 7.502 ( 4.339 0.000 4.934) 6.571 7.572 ( -4.704 0.000 12.614) 13.462 7.651 ( -4.157 0.000 7.659) 8.714 7.819 ( 1.788 0.000 5.965) 6.228 8.034 ( 4.723 0.000 5.097) 6.948 8.284 ( 2.962 0.000 4.008) 4.984 8.585 ( -0.256 0.000 -0.207) 0.330 8.862 ( 2.497 0.000 -7.934) 8.317 8.955 ( 2.900 0.000 -1.706) 3.364 9.203 ( -0.751 0.000 -6.882) 6.923 9.309 ( -0.557 0.000 5.097) 5.128 9.536 ( -0.713 0.000 -2.664) 2.758 9.649 ( 0.140 0.000 -6.965) 6.966 9.760 ( 0.412 0.000 -3.841) 3.863 9.940 ( 2.343 0.000 -19.400) 19.541 10.051 ( 1.393 0.000 -7.803) 7.926 10.114 ( -3.587 0.000 6.845) 7.728 10.273 ( -4.484 0.000 -5.650) 7.213 10.333 ( 2.301 0.000 6.473) 6.869 10.362 ( 1.338 0.000 4.220) 4.427 10.556 ( -0.189 0.000 14.248) 14.249 10.686 ( -3.456 0.000 4.061) 5.332 10.906 ( 5.113 0.000 7.238) 8.862 11.014 ( -4.345 0.000 14.293) 14.939 11.203 ( 3.714 0.000 9.943) 10.614 11.452 ( 2.104 0.000 6.404) 6.740 11.715 ( -0.162 0.000 4.510) 4.512 12.129 ( -1.205 0.000 -7.601) 7.695 12.273 ( -4.075 0.000 0.487) 4.104 12.357 ( 0.551 0.000 0.099) 0.560 12.454 ( 1.974 0.000 -5.260) 5.618 12.591 ( -1.154 0.000 -4.371) 4.521 12.880 ( 2.723 0.000 -7.289) 7.781 13.033 ( -0.565 0.000 4.222) 4.259 13.325 ( -2.779 0.000 -3.009) 4.096 13.464 ( 1.928 0.000 -4.722) 5.100 13.517 ( 2.601 0.000 -3.178) 4.106 13.989 ( -4.497 0.000 -4.734) 6.530 14.128 ( -1.852 0.000 -3.677) 4.117 14.167 ( 5.543 0.000 -5.476) 7.792 14.589 ( -4.804 0.000 -2.899) 5.611 14.869 ( -0.030 0.000 4.316) 4.316 15.073 ( -1.507 0.000 1.835) 2.374 15.303 ( -3.383 0.000 3.254) 4.694 15.645 ( 5.829 0.000 22.554) 23.295 15.813 ( -11.219 0.000 18.202) 21.382 16.023 ( 14.255 0.000 18.891) 23.666 16.276 ( -1.497 0.000 4.351) 4.602 16.392 ( -1.776 0.000 20.156) 20.234 16.547 ( 5.858 0.000 5.106) 7.771 16.719 ( 1.235 0.000 13.613) 13.668 17.603 ( -1.487 0.000 -1.253) 1.944 17.976 ( 2.129 0.000 -1.394) 2.544 18.221 ( -0.018 0.000 0.558) 0.559 18.420 ( -1.937 0.000 -2.774) 3.383 18.551 ( 2.516 0.000 0.152) 2.521 18.678 ( 8.805 0.000 1.191) 8.885 19.478 ( 3.001 0.000 -0.160) 3.005 19.907 ( 0.845 0.000 1.841) 2.026 22.810 ( -6.633 0.000 6.601) 9.358 22.937 ( -4.685 0.000 2.609) 5.362 24.488 ( 0.086 0.000 -3.377) 3.379 24.573 ( 4.552 0.000 -4.990) 6.755 26.522 ( 0.531 0.000 -1.101) 1.222 27.061 ( 2.026 0.000 0.630) 2.122 28.856 ( 3.511 0.000 -1.432) 3.791 28.950 ( -1.415 0.000 4.800) 5.004 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -8.793 0.000 8.915) 12.522 1.873 ( -20.380 0.000 4.312) 20.831 2.043 ( -8.998 0.000 9.882) 13.365 2.123 ( -8.437 0.000 10.243) 13.271 2.364 ( -7.889 0.000 4.537) 9.100 2.481 ( -1.112 0.000 14.074) 14.117 2.539 ( -2.660 0.000 9.062) 9.445 2.634 ( 5.578 0.000 5.401) 7.764 2.689 ( 7.857 0.000 17.922) 19.568 2.849 ( 3.056 0.000 -2.293) 3.821 2.922 ( 4.686 0.000 4.287) 6.351 3.116 ( -6.482 0.000 9.397) 11.416 3.184 ( 8.210 0.000 -1.005) 8.272 3.242 ( 1.109 0.000 6.791) 6.881 3.311 ( -0.953 0.000 13.066) 13.101 3.398 ( 6.057 0.000 7.803) 9.878 3.518 ( 5.558 0.000 6.903) 8.862 3.561 ( 11.650 0.000 2.166) 11.849 3.711 ( -15.917 0.000 6.637) 17.245 3.920 ( 10.729 0.000 2.301) 10.973 4.408 ( 9.927 0.000 0.626) 9.946 4.478 ( -4.362 0.000 -1.471) 4.604 4.702 ( -4.419 0.000 0.633) 4.464 4.869 ( -1.056 0.000 4.542) 4.664 5.002 ( -1.123 0.000 5.629) 5.740 5.129 ( -3.180 0.000 6.122) 6.899 5.208 ( 7.473 0.000 1.859) 7.701 5.388 ( 2.431 0.000 0.686) 2.526 5.575 ( 5.529 0.000 2.991) 6.286 5.621 ( -10.606 0.000 -7.167) 12.801 5.819 ( -0.800 0.000 -1.859) 2.024 5.934 ( 0.590 0.000 -2.361) 2.434 5.976 ( 3.080 0.000 -0.282) 3.093 6.111 ( -3.874 0.000 0.108) 3.875 6.257 ( -1.967 0.000 -5.911) 6.229 6.361 ( -5.303 0.000 -2.063) 5.690 6.512 ( -4.495 0.000 -1.272) 4.671 6.887 ( -1.811 0.000 -3.170) 3.651 7.041 ( -0.989 0.000 -2.751) 2.924 7.262 ( 0.216 0.000 5.848) 5.852 7.303 ( 1.288 0.000 -0.994) 1.626 7.491 ( -2.449 0.000 10.015) 10.310 7.590 ( 1.496 0.000 10.473) 10.579 7.672 ( 7.346 0.000 17.764) 19.222 7.811 ( -1.519 0.000 0.555) 1.617 8.135 ( 4.269 0.000 0.636) 4.316 8.372 ( 4.493 0.000 2.096) 4.958 8.566 ( -0.698 0.000 -3.589) 3.656 8.903 ( 1.987 0.000 -2.122) 2.907 9.041 ( 3.653 0.000 -3.386) 4.981 9.187 ( -1.131 0.000 -5.465) 5.581 9.322 ( 2.677 0.000 5.987) 6.558 9.523 ( -1.080 0.000 -4.730) 4.852 9.647 ( -0.417 0.000 -4.721) 4.740 9.757 ( -0.958 0.000 -4.020) 4.133 9.976 ( -5.435 0.000 -2.684) 6.062 10.000 ( 2.548 0.000 -18.166) 18.343 10.099 ( 1.049 0.000 1.932) 2.198 10.220 ( 0.018 0.000 -7.802) 7.802 10.374 ( 0.279 0.000 1.654) 1.678 10.409 ( 3.235 0.000 -0.685) 3.307 10.598 ( 3.724 0.000 17.393) 17.787 10.622 ( -2.579 0.000 8.024) 8.428 10.919 ( -3.392 0.000 13.187) 13.617 11.005 ( 2.986 0.000 8.411) 8.926 11.284 ( 4.331 0.000 8.241) 9.310 11.495 ( 1.809 0.000 5.158) 5.466 11.707 ( -0.652 0.000 3.691) 3.749 12.064 ( -6.171 0.000 -2.806) 6.779 12.076 ( -9.475 0.000 4.444) 10.465 12.397 ( 0.314 0.000 -2.789) 2.806 12.554 ( 5.421 0.000 -5.398) 7.650 12.582 ( 1.408 0.000 -4.665) 4.873 12.927 ( 1.814 0.000 -6.783) 7.021 13.072 ( 4.105 0.000 2.898) 5.025 13.256 ( -3.705 0.000 -1.340) 3.940 13.505 ( 2.765 0.000 -4.744) 5.491 13.567 ( 0.290 0.000 -5.014) 5.022 13.881 ( -3.372 0.000 -0.897) 3.489 14.071 ( -3.512 0.000 -4.680) 5.851 14.306 ( 5.951 0.000 -7.684) 9.719 14.461 ( -7.071 0.000 -3.695) 7.979 14.805 ( -3.878 0.000 0.792) 3.958 15.084 ( 1.637 0.000 1.716) 2.372 15.260 ( -2.178 0.000 3.014) 3.719 15.564 ( -11.027 0.000 22.522) 25.077 15.748 ( 2.554 0.000 14.025) 14.255 16.199 ( -5.140 0.000 -3.825) 6.407 16.300 ( 3.806 0.000 19.899) 20.260 16.388 ( 9.080 0.000 33.283) 34.500 16.635 ( 2.479 0.000 0.353) 2.504 16.798 ( 7.445 0.000 21.611) 22.858 17.607 ( 1.748 0.000 1.970) 2.634 18.038 ( 4.671 0.000 -3.421) 5.790 18.303 ( 7.405 0.000 2.789) 7.913 18.403 ( -0.103 0.000 -2.849) 2.851 18.622 ( 4.594 0.000 -1.245) 4.760 18.915 ( 13.297 0.000 -0.314) 13.301 19.539 ( 3.312 0.000 4.137) 5.300 19.928 ( 1.488 0.000 3.799) 4.080 22.508 ( -21.654 0.000 6.371) 22.572 22.870 ( -3.045 0.000 -0.316) 3.062 24.500 ( 1.245 0.000 -2.231) 2.554 24.696 ( 6.706 0.000 -5.512) 8.680 26.527 ( -0.097 0.000 0.013) 0.098 27.132 ( 4.686 0.000 1.349) 4.876 28.890 ( -0.952 0.000 0.260) 0.987 28.983 ( 5.340 0.000 3.359) 6.309 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( -25.925 0.000 8.954) 27.428 1.500 ( -24.587 0.000 13.989) 28.289 2.003 ( 1.310 0.000 2.475) 2.800 2.051 ( 1.165 0.000 12.447) 12.501 2.230 ( -5.208 0.000 0.566) 5.238 2.357 ( -19.709 0.000 19.212) 27.523 2.513 ( 0.788 0.000 6.915) 6.960 2.587 ( -11.835 0.000 18.491) 21.954 2.666 ( -1.738 0.000 26.339) 26.396 2.848 ( -1.984 0.000 1.673) 2.595 2.944 ( -2.641 0.000 14.790) 15.024 3.063 ( 1.508 0.000 5.244) 5.457 3.198 ( 1.708 0.000 -6.536) 6.756 3.360 ( 8.168 0.000 4.323) 9.242 3.434 ( 8.866 0.000 1.630) 9.015 3.474 ( 4.464 0.000 8.866) 9.927 3.562 ( 6.531 0.000 6.700) 9.357 3.770 ( 10.809 0.000 9.229) 14.212 3.799 ( 10.832 0.000 2.320) 11.078 4.014 ( -2.975 0.000 -2.385) 3.813 4.437 ( 0.202 0.000 4.685) 4.689 4.590 ( 9.713 0.000 2.998) 10.165 4.733 ( 6.645 0.000 -2.107) 6.971 4.929 ( -0.577 0.000 2.804) 2.863 4.980 ( 4.042 0.000 6.773) 7.888 5.096 ( -0.557 0.000 5.104) 5.134 5.278 ( -1.379 0.000 0.160) 1.388 5.293 ( -10.932 0.000 -6.507) 12.722 5.537 ( 2.374 0.000 -2.639) 3.549 5.639 ( 1.608 0.000 -0.382) 1.653 5.714 ( -4.055 0.000 1.620) 4.367 5.941 ( -2.186 0.000 -1.517) 2.660 6.006 ( -5.833 0.000 -2.111) 6.204 6.085 ( 2.313 0.000 -4.697) 5.235 6.201 ( -2.702 0.000 -4.086) 4.899 6.241 ( -4.340 0.000 -0.659) 4.390 6.416 ( -5.185 0.000 -2.589) 5.795 6.850 ( -1.350 0.000 -4.375) 4.578 7.003 ( -2.990 0.000 -3.362) 4.499 7.264 ( 1.851 0.000 12.612) 12.747 7.354 ( 2.336 0.000 0.181) 2.343 7.476 ( 1.688 0.000 7.304) 7.496 7.617 ( 0.902 0.000 12.144) 12.178 7.796 ( 0.501 0.000 -0.982) 1.103 7.877 ( 12.537 0.000 24.356) 27.393 8.195 ( 1.477 0.000 0.262) 1.501 8.426 ( 0.888 0.000 -3.653) 3.760 8.585 ( 2.703 0.000 -5.395) 6.035 8.943 ( 2.032 0.000 1.281) 2.402 9.064 ( -1.297 0.000 -1.076) 1.686 9.152 ( -2.083 0.000 -3.936) 4.453 9.412 ( 1.359 0.000 4.656) 4.850 9.481 ( 0.001 0.000 -9.967) 9.967 9.594 ( -4.617 0.000 -3.003) 5.508 9.739 ( 0.585 0.000 -5.657) 5.687 9.911 ( -0.695 0.000 -8.058) 8.088 10.061 ( 3.613 0.000 -2.061) 4.160 10.144 ( 2.669 0.000 -4.703) 5.408 10.239 ( 1.385 0.000 -11.149) 11.235 10.359 ( -1.859 0.000 4.081) 4.484 10.458 ( 1.766 0.000 -1.543) 2.346 10.573 ( -1.626 0.000 9.143) 9.286 10.695 ( 3.892 0.000 14.721) 15.226 10.863 ( -1.756 0.000 14.850) 14.954 11.053 ( 2.095 0.000 8.150) 8.415 11.365 ( 2.599 0.000 7.673) 8.101 11.505 ( -1.427 0.000 2.700) 3.054 11.693 ( -0.621 0.000 2.066) 2.157 11.856 ( -7.879 0.000 8.211) 11.380 11.990 ( -3.822 0.000 -0.545) 3.861 12.362 ( -1.996 0.000 -4.214) 4.663 12.590 ( -0.604 0.000 -1.264) 1.401 12.697 ( 7.409 0.000 -6.640) 9.949 12.971 ( 2.125 0.000 -8.031) 8.307 13.111 ( -0.887 0.000 6.748) 6.806 13.240 ( 1.948 0.000 -2.620) 3.265 13.507 ( -3.690 0.000 -7.047) 7.954 13.585 ( 5.054 0.000 -8.483) 9.875 13.883 ( 0.274 0.000 -1.193) 1.224 13.989 ( -3.645 0.000 -4.029) 5.433 14.261 ( -7.691 0.000 -1.584) 7.852 14.445 ( 3.447 0.000 -8.474) 9.148 14.765 ( -0.095 0.000 -5.122) 5.123 15.102 ( -2.266 0.000 -0.062) 2.267 15.162 ( -6.184 0.000 -0.037) 6.185 15.389 ( -5.019 0.000 27.378) 27.834 15.773 ( -0.253 0.000 10.772) 10.775 16.074 ( -6.233 0.000 -7.669) 9.883 16.244 ( -4.493 0.000 20.162) 20.656 16.575 ( -0.007 0.000 11.919) 11.919 16.800 ( 18.786 0.000 28.538) 34.166 17.026 ( 14.819 0.000 26.976) 30.778 17.661 ( 3.201 0.000 6.658) 7.388 18.163 ( 6.554 0.000 -6.143) 8.983 18.404 ( 0.694 0.000 -0.501) 0.856 18.495 ( 10.760 0.000 2.982) 11.166 18.751 ( 8.454 0.000 -3.775) 9.258 19.173 ( 11.075 0.000 -2.102) 11.273 19.629 ( 6.076 0.000 10.108) 11.794 19.994 ( 6.205 0.000 8.091) 10.196 21.958 ( -32.242 0.000 6.637) 32.918 22.793 ( -4.581 0.000 -1.644) 4.867 24.532 ( 1.734 0.000 -2.100) 2.723 24.829 ( 6.202 0.000 -6.136) 8.724 26.516 ( -0.976 0.000 1.047) 1.431 27.239 ( 5.769 0.000 3.914) 6.971 28.858 ( -1.879 0.000 1.394) 2.339 29.120 ( 7.478 0.000 1.574) 7.642 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( -24.242 0.000 16.583) 29.372 0.961 ( -26.200 0.000 20.119) 33.033 1.693 ( -33.143 0.000 47.372) 57.815 1.975 ( -2.077 0.000 13.257) 13.418 2.131 ( -1.202 0.000 3.231) 3.447 2.202 ( 4.814 0.000 -0.541) 4.844 2.483 ( -2.231 0.000 15.186) 15.349 2.567 ( 2.667 0.000 13.674) 13.931 2.654 ( -0.108 0.000 19.394) 19.395 2.783 ( -2.119 0.000 4.373) 4.859 2.924 ( 0.746 0.000 10.962) 10.987 3.049 ( -2.834 0.000 3.892) 4.814 3.273 ( 4.591 0.000 -15.600) 16.262 3.474 ( 2.913 0.000 14.045) 14.344 3.546 ( 4.066 0.000 4.461) 6.036 3.645 ( 6.310 0.000 3.206) 7.077 3.726 ( 8.503 0.000 6.980) 11.001 3.837 ( 0.852 0.000 -0.092) 0.857 4.028 ( 11.719 0.000 9.672) 15.195 4.097 ( 9.145 0.000 10.651) 14.039 4.441 ( 0.324 0.000 5.323) 5.333 4.775 ( 2.510 0.000 3.628) 4.411 4.827 ( -1.581 0.000 0.604) 1.692 4.858 ( 4.461 0.000 -0.242) 4.468 5.040 ( -6.719 0.000 -3.864) 7.751 5.088 ( 4.132 0.000 7.418) 8.491 5.193 ( -1.582 0.000 0.734) 1.744 5.253 ( 5.749 0.000 -2.114) 6.126 5.533 ( -4.134 0.000 -3.752) 5.583 5.582 ( -11.162 0.000 0.563) 11.177 5.700 ( 3.624 0.000 -6.413) 7.367 5.827 ( -4.696 0.000 -5.264) 7.055 5.958 ( -1.920 0.000 -2.864) 3.448 6.008 ( -5.674 0.000 -3.263) 6.546 6.133 ( -2.310 0.000 -0.898) 2.479 6.256 ( 2.337 0.000 -1.569) 2.815 6.315 ( -3.996 0.000 -0.853) 4.086 6.842 ( 0.523 0.000 -4.937) 4.965 6.933 ( -3.235 0.000 -2.815) 4.289 7.334 ( 3.637 0.000 4.492) 5.780 7.410 ( 3.051 0.000 5.217) 6.044 7.540 ( 3.500 0.000 2.664) 4.398 7.627 ( 0.950 0.000 10.780) 10.822 7.826 ( 2.034 0.000 -2.400) 3.146 8.131 ( 1.646 0.000 8.942) 9.092 8.236 ( 10.202 0.000 10.831) 14.879 8.464 ( 4.911 0.000 -0.472) 4.934 8.661 ( 4.320 0.000 -7.549) 8.698 8.991 ( -3.751 0.000 1.042) 3.893 9.059 ( 12.480 0.000 12.368) 17.570 9.131 ( 1.630 0.000 0.417) 1.682 9.285 ( -7.849 0.000 -5.405) 9.530 9.515 ( -2.118 0.000 -4.151) 4.660 9.582 ( 3.632 0.000 -6.084) 7.086 9.781 ( 2.495 0.000 -5.269) 5.830 9.923 ( 2.977 0.000 -8.723) 9.217 10.116 ( 0.571 0.000 3.900) 3.941 10.187 ( 1.572 0.000 -2.926) 3.322 10.277 ( 2.325 0.000 -15.764) 15.934 10.314 ( -1.803 0.000 6.333) 6.584 10.490 ( 0.790 0.000 -0.335) 0.858 10.561 ( 1.510 0.000 12.847) 12.935 10.707 ( -1.715 0.000 9.788) 9.937 10.883 ( 2.609 0.000 14.721) 14.950 11.109 ( 3.605 0.000 6.830) 7.723 11.360 ( -2.397 0.000 8.184) 8.527 11.440 ( -4.220 0.000 2.706) 5.013 11.659 ( -3.664 0.000 4.908) 6.125 11.796 ( 2.210 0.000 7.988) 8.288 11.952 ( 1.933 0.000 -1.357) 2.362 12.354 ( 0.184 0.000 -4.413) 4.417 12.556 ( -1.436 0.000 3.043) 3.364 12.823 ( 3.439 0.000 -8.283) 8.968 12.982 ( -1.666 0.000 -7.529) 7.711 13.109 ( -0.004 0.000 1.327) 1.327 13.220 ( -4.827 0.000 -7.358) 8.800 13.464 ( -3.586 0.000 -6.809) 7.696 13.681 ( 1.992 0.000 -8.266) 8.502 13.754 ( -7.409 0.000 -2.977) 7.985 13.978 ( 0.221 0.000 -2.691) 2.700 14.156 ( -1.434 0.000 -0.230) 1.452 14.503 ( 2.339 0.000 -7.895) 8.234 14.721 ( -7.453 0.000 -11.641) 13.822 14.940 ( -4.693 0.000 1.980) 5.094 15.153 ( 0.586 0.000 7.500) 7.523 15.335 ( -1.278 0.000 24.181) 24.215 15.730 ( -3.908 0.000 4.949) 6.306 15.976 ( -3.067 0.000 -1.647) 3.481 16.148 ( -4.834 0.000 19.217) 19.816 16.520 ( -3.994 0.000 3.451) 5.278 17.160 ( 11.614 0.000 19.131) 22.381 17.507 ( 32.134 0.000 32.703) 45.848 17.741 ( 7.241 0.000 17.021) 18.497 18.265 ( 3.374 0.000 -9.786) 10.352 18.438 ( 3.697 0.000 2.276) 4.341 18.721 ( 9.348 0.000 1.967) 9.552 18.959 ( 11.161 0.000 -6.846) 13.093 19.338 ( 4.718 0.000 -3.955) 6.156 19.831 ( 15.672 0.000 16.369) 22.662 20.240 ( 18.257 0.000 12.128) 21.918 21.216 ( -39.617 0.000 9.113) 40.652 22.708 ( -1.104 0.000 5.662) 5.769 24.560 ( 0.810 0.000 -2.820) 2.934 24.943 ( 4.911 0.000 -6.105) 7.835 26.491 ( -1.350 0.000 1.381) 1.931 27.406 ( 14.083 0.000 13.634) 19.601 28.821 ( -1.466 0.000 1.683) 2.232 29.253 ( 3.797 0.000 -2.681) 4.648 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -2.040 22.496 21.693) 31.318 0.996 ( -2.268 24.200 20.884) 32.046 1.610 ( -1.808 31.664 43.404) 53.757 1.776 ( -1.500 -12.924 18.008) 22.217 2.137 ( -1.262 -17.011 4.095) 17.542 2.282 ( 2.703 5.010 5.508) 7.921 2.359 ( -2.795 6.502 7.493) 10.307 2.541 ( -2.480 0.472 18.482) 18.653 2.669 ( 1.302 0.934 12.018) 12.124 2.789 ( -0.096 3.265 13.411) 13.803 3.073 ( -0.553 8.006 -1.551) 8.173 3.163 ( -1.221 -1.779 -6.925) 7.253 3.337 ( 2.803 -3.909 11.692) 12.643 3.365 ( -2.700 1.988 7.193) 7.936 3.543 ( 0.752 -4.159 1.168) 4.384 3.651 ( 0.060 -4.682 0.623) 4.724 3.739 ( 1.418 -6.967 2.609) 7.574 3.886 ( 1.187 0.755 3.919) 4.164 3.990 ( -2.518 -20.913 6.403) 22.015 4.189 ( 1.896 -2.797 14.367) 14.759 4.221 ( -0.282 1.564 12.003) 12.108 4.637 ( -2.425 -14.105 -0.809) 14.335 4.781 ( 1.980 -4.805 -0.351) 5.209 4.871 ( 1.375 -4.023 -4.363) 6.092 5.043 ( 3.868 3.633 1.667) 5.563 5.149 ( -2.348 2.538 2.624) 4.341 5.234 ( -1.184 4.870 2.205) 5.476 5.352 ( 2.581 1.885 -0.078) 3.197 5.439 ( -1.404 3.843 0.876) 4.184 5.511 ( -0.423 1.062 -3.128) 3.330 5.782 ( 0.354 4.300 -4.069) 5.931 5.899 ( 1.287 1.187 -7.255) 7.463 5.913 ( 1.250 1.703 -6.279) 6.625 5.980 ( -1.744 2.337 -0.722) 3.004 6.101 ( -1.138 0.180 0.842) 1.428 6.212 ( 0.557 -3.974 1.356) 4.236 6.553 ( 0.637 14.387 -6.499) 15.800 6.820 ( -0.356 -3.048 -2.206) 3.780 7.023 ( -0.487 10.457 -5.692) 11.916 7.233 ( -0.919 -7.511 10.311) 12.790 7.313 ( -1.795 -4.962 2.748) 5.949 7.531 ( 1.211 -2.530 2.225) 3.580 7.650 ( -1.098 -2.660 -0.513) 2.923 7.844 ( 1.290 -3.980 1.106) 4.328 8.143 ( -3.328 6.755 1.163) 7.620 8.358 ( 0.901 -1.580 2.444) 3.047 8.610 ( -1.236 5.868 -6.475) 8.825 8.716 ( 2.643 -0.632 -8.668) 9.084 8.888 ( -1.900 2.300 -3.083) 4.290 9.141 ( -1.987 1.178 -4.221) 4.812 9.245 ( 0.108 1.970 -4.453) 4.870 9.408 ( 1.132 -5.117 -7.001) 8.745 9.536 ( 0.771 -3.074 -1.754) 3.622 9.619 ( 7.362 -0.946 -0.829) 7.469 9.811 ( -0.581 1.138 -10.895) 10.970 10.012 ( 4.532 -5.217 -4.920) 8.483 10.070 ( -2.099 -1.021 -3.160) 3.929 10.152 ( 0.539 -2.895 -3.962) 4.937 10.289 ( -1.570 -0.377 -1.844) 2.451 10.376 ( 4.186 6.164 5.623) 9.334 10.441 ( -5.499 -7.399 7.384) 11.812 10.658 ( 1.884 1.281 15.259) 15.428 10.692 ( 5.652 -0.236 10.819) 12.209 10.926 ( 7.175 -6.090 11.030) 14.499 11.109 ( -8.507 -3.914 14.685) 17.416 11.200 ( -2.522 -3.280 14.035) 14.632 11.308 ( -1.070 0.283 4.077) 4.224 11.388 ( -6.029 -2.504 11.174) 12.941 11.861 ( -1.232 1.127 -0.092) 1.672 12.000 ( 3.113 -1.832 4.580) 5.833 12.383 ( 0.788 3.806 -6.756) 7.794 12.581 ( 0.756 -1.802 -0.548) 2.029 12.754 ( 2.023 3.586 2.484) 4.808 12.886 ( -4.312 1.038 -5.506) 7.071 13.025 ( 2.147 -1.164 -3.069) 3.922 13.186 ( -0.171 -1.588 -1.765) 2.381 13.562 ( -2.387 7.905 -8.725) 12.013 13.732 ( 4.926 1.346 -5.405) 7.436 13.858 ( -1.624 8.161 -5.319) 9.876 13.980 ( -0.798 0.287 -6.260) 6.318 14.142 ( -0.536 -2.341 -5.637) 6.127 14.284 ( -2.677 -7.192 3.954) 8.633 14.535 ( 2.848 -1.441 0.903) 3.318 14.942 ( -2.384 -12.615 5.345) 13.907 15.206 ( 0.404 8.302 5.821) 10.147 15.512 ( 1.085 -0.554 2.471) 2.755 15.701 ( 1.101 11.872 8.883) 14.868 16.009 ( -5.100 2.036 6.095) 8.203 16.078 ( -1.232 3.504 3.220) 4.915 16.373 ( -2.276 -5.985 1.509) 6.579 17.316 ( -0.310 3.243 17.064) 17.372 17.566 ( 0.074 -8.236 16.587) 18.519 18.230 ( 0.492 5.193 -12.142) 13.215 18.314 ( 1.763 0.300 -7.999) 8.196 18.664 ( 9.549 3.022 2.075) 10.228 18.794 ( -0.612 -0.218 -0.871) 1.086 19.171 ( 3.740 2.164 -6.847) 8.097 19.320 ( -2.887 -2.219 -5.293) 6.425 19.894 ( -41.551 7.909 1.632) 42.328 20.268 ( -26.830 -4.655 -4.665) 27.628 20.871 ( 26.970 1.348 31.928) 41.816 21.623 ( 27.637 -53.990 74.077) 95.740 24.777 ( -0.093 6.726 -11.357) 13.200 24.957 ( -0.245 -2.617 -5.916) 6.474 26.813 ( -2.296 16.935 -10.481) 20.048 27.512 ( 7.455 -20.792 9.178) 23.919 28.986 ( 4.268 5.368 -1.570) 7.035 29.130 ( -8.718 0.369 -3.647) 9.457 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 9.617 17.936 16.989) 26.511 1.137 ( 14.782 17.356 19.629) 30.084 1.801 ( 5.907 -10.571 16.433) 20.413 1.913 ( 20.815 15.438 29.061) 38.938 2.042 ( -1.754 -6.100 8.236) 10.398 2.317 ( 1.381 7.349 6.323) 9.792 2.381 ( 2.872 4.841 10.398) 11.824 2.503 ( -0.912 1.957 15.238) 15.390 2.722 ( 2.567 1.614 12.571) 12.931 2.821 ( 3.528 3.706 9.711) 10.976 3.035 ( -6.463 2.874 -2.508) 7.505 3.069 ( -4.229 5.385 0.124) 6.848 3.272 ( -5.719 4.744 -1.328) 7.548 3.394 ( 2.287 -6.581 10.813) 12.863 3.517 ( -3.548 -6.288 2.922) 7.789 3.604 ( -2.511 -0.853 1.734) 3.168 3.750 ( -8.162 -1.113 4.622) 9.446 3.799 ( 2.354 -7.121 1.915) 7.740 3.956 ( -3.955 -12.326 6.069) 14.297 4.095 ( -9.744 -0.891 13.715) 16.848 4.198 ( -0.501 -6.634 8.491) 10.787 4.525 ( -7.524 -12.034 1.220) 14.245 4.766 ( -3.272 -6.918 -0.702) 7.685 4.895 ( -3.021 -8.399 -1.604) 9.069 5.047 ( 0.281 7.204 1.628) 7.391 5.114 ( 0.735 3.761 1.221) 4.022 5.250 ( 2.698 5.142 0.720) 5.851 5.378 ( -0.946 0.625 0.571) 1.270 5.565 ( 8.698 1.576 -3.673) 9.572 5.601 ( 6.323 0.319 -2.040) 6.652 5.759 ( -2.171 3.112 -3.775) 5.353 5.902 ( -0.509 -0.684 -2.541) 2.680 5.952 ( 2.782 2.294 -3.326) 4.905 6.028 ( 3.632 -0.071 -3.882) 5.316 6.097 ( 3.170 3.472 -2.001) 5.110 6.228 ( 0.944 -3.239 -0.359) 3.393 6.572 ( 1.275 12.363 -5.001) 13.397 6.835 ( 1.408 -3.067 -2.817) 4.396 6.989 ( -2.487 8.549 -4.276) 9.877 7.177 ( -3.721 -5.558 10.611) 12.543 7.280 ( -0.840 -3.155 -0.087) 3.266 7.529 ( -1.621 -4.038 2.408) 4.972 7.632 ( -0.727 0.032 0.751) 1.046 7.850 ( -0.533 -4.431 3.558) 5.707 8.085 ( -2.696 10.738 3.550) 11.626 8.332 ( -3.556 1.408 10.686) 11.350 8.563 ( -2.829 7.685 -5.601) 9.922 8.727 ( -3.469 0.524 -8.140) 8.863 8.870 ( 1.197 -2.032 -0.238) 2.370 9.070 ( -3.889 0.448 -5.710) 6.923 9.247 ( -1.995 -1.444 -4.386) 5.030 9.405 ( -1.459 -5.459 -9.854) 11.359 9.500 ( -2.861 3.895 6.712) 8.271 9.652 ( -2.437 0.749 -4.919) 5.541 9.760 ( -3.219 -1.381 -2.653) 4.394 9.963 ( -5.015 -1.566 -7.725) 9.342 10.029 ( 0.753 -2.915 -3.422) 4.558 10.176 ( 0.627 -2.893 -9.513) 9.963 10.206 ( -3.783 1.333 8.179) 9.109 10.311 ( -1.976 -3.687 3.446) 5.420 10.442 ( 1.271 3.860 5.646) 6.957 10.737 ( 1.809 0.403 15.065) 15.179 10.811 ( 5.226 1.451 9.819) 11.218 10.941 ( -4.463 -0.515 23.698) 24.120 11.135 ( 2.374 -5.781 6.739) 9.191 11.190 ( 1.262 -2.659 2.253) 3.707 11.306 ( 4.792 -0.120 3.343) 5.844 11.392 ( 5.880 -2.048 6.265) 8.833 11.840 ( -1.029 4.443 -0.115) 4.562 11.998 ( -1.989 0.134 4.611) 5.023 12.367 ( -2.806 -2.103 -2.067) 4.070 12.556 ( -0.537 -6.128 -4.200) 7.449 12.757 ( -0.194 0.888 -1.445) 1.707 12.845 ( -0.927 1.526 -4.826) 5.146 13.134 ( 3.046 -0.235 -1.975) 3.638 13.352 ( 10.301 -6.620 -2.262) 12.452 13.509 ( -0.920 9.008 -5.572) 10.632 13.744 ( -2.207 3.389 -11.090) 11.804 13.841 ( 0.711 1.092 -3.836) 4.052 13.924 ( -3.982 -1.511 -6.556) 7.818 14.164 ( 2.639 -0.259 -6.545) 7.062 14.308 ( 4.389 -7.542 0.827) 8.765 14.611 ( 4.439 -2.425 4.854) 7.011 14.900 ( -1.325 -9.738 3.858) 10.557 15.228 ( 1.949 8.192 9.910) 13.005 15.525 ( -0.184 0.646 7.306) 7.337 15.731 ( 0.675 11.891 0.040) 11.910 15.934 ( -1.189 0.909 9.801) 9.915 16.063 ( 0.118 4.723 1.079) 4.847 16.363 ( 1.027 -5.680 2.127) 6.152 17.156 ( -15.989 4.437 20.165) 26.114 17.415 ( -14.536 -7.429 23.228) 28.391 18.021 ( -15.661 13.221 5.161) 21.135 18.337 ( -0.352 -1.689 -9.074) 9.237 18.566 ( -9.501 4.009 5.496) 11.685 18.683 ( -9.490 0.151 4.643) 10.566 19.114 ( -13.613 4.962 -1.193) 14.538 19.234 ( 0.981 7.391 0.415) 7.468 19.296 ( -10.037 -1.854 -5.597) 11.640 19.798 ( -11.521 -8.745 2.675) 14.709 21.572 ( 35.013 3.477 22.267) 41.639 22.364 ( 29.004 -40.550 27.544) 56.958 24.718 ( -5.091 7.590 -9.279) 13.024 24.909 ( -4.153 -2.058 -5.928) 7.525 26.718 ( -5.322 16.172 -4.718) 17.667 27.449 ( -11.106 -17.996 7.126) 22.315 28.910 ( -6.563 6.561 -0.622) 9.301 29.079 ( 0.876 -0.494 -2.020) 2.257 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 19.359 6.606 8.595) 22.188 1.516 ( 20.364 9.630 14.661) 26.877 1.862 ( 0.005 -8.163 5.099) 9.624 2.005 ( 6.229 -10.689 16.368) 20.518 2.319 ( 2.817 3.955 7.577) 8.999 2.391 ( -1.584 1.735 12.598) 12.815 2.501 ( 8.448 9.592 12.084) 17.589 2.567 ( 14.743 13.359 11.709) 23.085 2.747 ( 1.191 7.543 11.897) 14.137 2.901 ( 1.200 1.685 9.751) 9.968 2.944 ( 1.226 1.495 -1.689) 2.567 3.004 ( -1.160 3.247 5.912) 6.844 3.149 ( -4.595 3.043 -0.681) 5.553 3.368 ( -3.936 -3.540 6.587) 8.451 3.438 ( -4.167 -3.908 3.349) 6.621 3.540 ( -1.307 2.421 5.988) 6.590 3.598 ( -7.353 3.896 3.322) 8.960 3.763 ( -9.026 -2.953 7.511) 12.108 3.868 ( -10.387 0.099 7.259) 12.672 3.967 ( 6.358 -7.209 -0.333) 9.617 4.244 ( 4.443 -13.941 5.224) 15.537 4.339 ( -9.176 -11.501 4.306) 15.331 4.607 ( -12.019 -9.837 2.385) 15.714 4.795 ( -3.830 -7.625 -2.030) 8.771 5.083 ( 0.660 8.019 1.045) 8.114 5.151 ( 1.367 3.995 2.289) 4.804 5.298 ( 2.897 2.631 -2.396) 4.589 5.435 ( 5.399 1.079 2.137) 5.906 5.598 ( -4.500 1.091 -1.976) 5.035 5.670 ( 1.013 0.253 -4.600) 4.717 5.763 ( 2.085 3.552 -1.256) 4.306 5.896 ( 2.772 -1.956 -1.201) 3.599 6.042 ( 3.503 1.161 -1.551) 4.004 6.107 ( 2.190 1.095 -3.149) 3.989 6.141 ( 0.896 -1.302 -1.055) 1.900 6.281 ( 4.313 -0.497 -4.257) 6.080 6.598 ( 1.140 9.235 -1.157) 9.376 6.864 ( 1.042 0.567 -5.285) 5.417 6.951 ( -0.053 2.260 -2.758) 3.566 7.123 ( -1.254 -2.746 7.335) 7.932 7.281 ( 0.413 -0.796 -0.831) 1.223 7.498 ( -0.438 -4.803 2.201) 5.302 7.603 ( -2.108 4.725 5.302) 7.408 7.833 ( -1.110 -4.005 6.995) 8.137 7.991 ( -6.850 11.008 14.165) 19.203 8.250 ( -3.658 4.853 9.348) 11.149 8.489 ( -4.747 6.053 -1.136) 7.776 8.610 ( -5.724 1.542 -8.848) 10.650 8.884 ( -1.968 -2.698 -1.156) 3.534 8.998 ( -2.603 -3.773 -2.713) 5.327 9.200 ( -0.221 -2.156 -3.450) 4.074 9.345 ( -2.840 -4.264 -5.781) 7.724 9.510 ( 2.323 2.105 0.582) 3.188 9.591 ( -4.918 -3.674 -2.422) 6.599 9.721 ( 1.063 1.940 -2.990) 3.719 9.914 ( -0.483 0.663 -13.272) 13.298 10.058 ( 0.595 -2.321 -1.858) 3.032 10.143 ( -1.804 0.868 -0.756) 2.139 10.212 ( 1.946 -1.641 -4.133) 4.854 10.324 ( 2.923 -1.302 2.330) 3.958 10.476 ( 2.214 2.629 5.937) 6.860 10.685 ( -5.154 -1.734 11.611) 12.821 10.861 ( 0.216 4.548 11.854) 12.698 10.949 ( 2.656 1.009 20.071) 20.271 11.068 ( -4.998 0.058 8.458) 9.825 11.174 ( -3.088 -4.242 3.081) 6.085 11.460 ( 5.017 3.789 -2.043) 6.610 11.557 ( 9.420 -3.491 1.959) 10.235 11.805 ( -1.161 0.673 4.263) 4.469 12.003 ( 3.605 4.352 -0.529) 5.676 12.281 ( -3.525 -8.286 -2.518) 9.350 12.594 ( 1.572 -10.417 -2.782) 10.896 12.756 ( 0.255 3.367 -3.136) 4.609 12.837 ( -0.962 1.047 -6.232) 6.392 13.127 ( -1.649 4.633 -1.772) 5.227 13.353 ( -3.921 -0.898 -0.340) 4.037 13.567 ( 2.213 0.177 -5.332) 5.776 13.696 ( -4.374 -0.397 -3.372) 5.537 13.764 ( -3.829 1.797 -2.564) 4.947 14.003 ( 7.557 -4.388 -9.403) 12.837 14.236 ( 3.855 1.883 -5.280) 6.803 14.427 ( 7.307 -6.811 -5.631) 11.467 14.693 ( 2.890 -1.242 7.268) 7.920 14.918 ( 3.644 -7.796 2.596) 8.989 15.279 ( 2.585 6.761 14.234) 15.969 15.514 ( -0.174 3.478 9.686) 10.293 15.696 ( -3.532 6.461 2.783) 7.872 15.973 ( 3.365 -2.447 11.678) 12.397 16.105 ( 4.522 6.421 -1.098) 7.930 16.389 ( 0.747 -4.463 3.359) 5.636 16.806 ( -14.230 6.212 20.440) 25.668 17.081 ( -16.536 -5.111 25.428) 30.760 17.824 ( -5.131 10.912 5.951) 13.447 18.277 ( -5.403 -5.595 -3.850) 8.679 18.393 ( -7.906 5.066 2.348) 9.679 18.557 ( -2.777 -0.886 4.980) 5.771 18.823 ( -13.238 3.529 -0.384) 13.706 19.057 ( -13.165 -3.118 -5.450) 14.585 19.315 ( 4.495 6.366 -5.062) 9.292 19.738 ( 1.441 -7.873 -0.347) 8.011 22.203 ( 26.207 3.814 15.481) 30.676 22.750 ( 11.635 -19.670 11.391) 25.535 24.603 ( -5.549 6.484 -6.332) 10.627 24.799 ( -6.388 -2.054 -6.626) 9.430 26.633 ( -2.875 11.888 -1.309) 12.301 27.212 ( -10.421 -10.464 3.257) 15.123 28.834 ( -1.770 5.149 -1.319) 5.602 29.061 ( -2.133 -3.388 1.512) 4.280 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 20.032 -0.165 4.905) 20.624 1.867 ( 8.031 1.396 5.200) 9.669 1.933 ( 11.973 -0.191 10.821) 16.139 2.147 ( 6.803 -7.073 13.872) 16.992 2.331 ( -1.061 -0.024 5.616) 5.715 2.376 ( 0.416 -0.666 12.177) 12.202 2.578 ( 1.918 7.561 12.972) 15.137 2.654 ( -3.334 2.935 9.501) 10.488 2.745 ( -1.504 7.020 10.273) 12.533 2.878 ( -1.305 4.334 -0.267) 4.534 2.922 ( -4.300 3.478 0.990) 5.618 3.087 ( 7.751 0.320 4.219) 8.830 3.210 ( 3.673 1.102 4.762) 6.114 3.324 ( -4.181 -0.520 5.243) 6.726 3.342 ( -2.166 0.314 5.087) 5.538 3.392 ( -9.775 5.407 4.970) 12.227 3.535 ( -8.146 -0.091 6.607) 10.489 3.621 ( -8.298 2.954 7.707) 11.704 3.807 ( 16.242 4.196 8.732) 18.912 3.994 ( -11.538 7.964 0.286) 14.023 4.173 ( 4.488 -18.994 0.548) 19.525 4.320 ( -6.928 -8.461 2.318) 11.178 4.512 ( 9.175 -11.401 4.148) 15.210 4.734 ( -1.560 -10.691 -1.000) 10.851 5.060 ( -2.899 4.658 3.187) 6.345 5.169 ( -0.432 1.798 2.812) 3.366 5.321 ( 0.217 4.700 2.675) 5.413 5.479 ( -2.902 4.759 -1.343) 5.734 5.548 ( -0.123 0.050 -2.927) 2.930 5.681 ( 2.271 -0.260 -5.150) 5.635 5.832 ( 3.391 1.217 -0.176) 3.607 5.943 ( -1.404 1.213 -1.201) 2.210 6.037 ( -1.482 0.041 1.486) 2.099 6.103 ( 1.995 -0.187 -1.389) 2.438 6.220 ( 2.995 -3.266 -3.658) 5.746 6.336 ( 0.623 -2.556 -4.070) 4.846 6.633 ( 2.795 7.725 1.860) 8.423 6.877 ( 0.816 3.990 -5.599) 6.924 6.994 ( 2.993 -3.383 -4.862) 6.637 7.123 ( 0.971 -2.634 0.200) 2.815 7.279 ( -0.467 1.684 4.179) 4.529 7.527 ( 2.814 -3.461 3.965) 5.968 7.554 ( -2.632 6.700 8.958) 11.492 7.783 ( -4.384 -3.223 11.595) 12.809 7.884 ( -1.634 5.706 12.706) 14.024 8.158 ( -6.354 3.065 4.055) 8.137 8.386 ( -4.539 5.541 1.969) 7.429 8.529 ( -2.129 -0.196 -7.586) 7.882 8.819 ( -2.638 -0.367 -2.708) 3.798 8.954 ( -2.528 -4.709 0.453) 5.363 9.216 ( 0.848 -4.468 -6.750) 8.139 9.317 ( 0.052 -1.589 -3.974) 4.280 9.492 ( -3.722 -5.571 1.541) 6.875 9.566 ( 2.630 -0.925 -3.415) 4.408 9.759 ( 1.684 3.421 -3.832) 5.406 9.915 ( -0.025 1.396 -15.892) 15.953 10.040 ( -1.254 -1.607 -8.661) 8.898 10.123 ( -0.551 0.884 8.515) 8.579 10.251 ( 1.764 -0.638 -3.781) 4.220 10.407 ( 4.209 1.866 2.621) 5.298 10.489 ( -2.520 0.844 10.673) 10.999 10.621 ( 0.534 0.608 4.367) 4.441 10.836 ( -2.150 5.281 11.684) 13.001 10.943 ( -6.330 0.979 3.892) 7.495 11.008 ( 2.046 -1.312 16.336) 16.516 11.097 ( -3.247 -4.798 9.307) 10.963 11.478 ( -1.754 4.883 -0.191) 5.192 11.681 ( 2.244 -3.064 3.737) 5.328 11.898 ( 9.529 0.614 0.727) 9.577 12.115 ( 6.117 5.399 -4.517) 9.326 12.246 ( -0.412 -11.231 -2.359) 11.483 12.580 ( -2.859 -7.642 -2.505) 8.535 12.729 ( -3.683 3.261 -4.066) 6.382 12.798 ( -1.225 -2.431 -7.204) 7.701 13.137 ( 1.777 6.444 0.831) 6.736 13.318 ( 0.898 -1.178 0.254) 1.502 13.534 ( -3.646 1.005 -4.234) 5.677 13.581 ( -5.584 -0.862 -5.146) 7.642 13.795 ( 5.010 2.985 -2.362) 6.292 14.090 ( 0.928 -6.226 -5.924) 8.644 14.303 ( 2.660 5.265 -5.830) 8.294 14.581 ( 6.300 -5.329 -5.108) 9.705 14.740 ( 2.880 3.447 5.551) 7.141 15.023 ( 4.946 -7.484 2.619) 9.346 15.331 ( 3.222 4.879 16.572) 17.573 15.544 ( 1.839 0.889 18.572) 18.684 15.618 ( -2.281 4.776 1.810) 5.593 16.005 ( -1.065 -8.972 12.994) 15.826 16.245 ( 8.367 5.345 1.670) 10.068 16.372 ( -2.016 0.257 7.773) 8.034 16.613 ( -5.809 5.429 13.117) 15.339 16.807 ( -9.255 -3.424 19.998) 22.300 17.761 ( -1.603 8.416 3.511) 9.259 18.166 ( -4.889 -0.940 -0.810) 5.044 18.246 ( -6.606 1.733 1.563) 7.006 18.519 ( -1.529 -2.823 1.861) 3.711 18.600 ( -8.193 1.011 -0.382) 8.264 18.772 ( -13.941 -4.161 -3.526) 14.970 19.407 ( 4.464 6.803 -4.876) 9.486 19.781 ( 2.301 -6.595 -0.800) 7.030 22.626 ( 15.215 2.445 10.646) 18.730 22.914 ( 5.333 -7.914 7.825) 12.341 24.510 ( -3.212 3.827 -5.313) 7.293 24.664 ( -6.364 -1.837 -6.555) 9.319 26.596 ( -0.979 8.318 -1.130) 8.451 27.047 ( -5.757 -7.904 0.790) 9.810 28.817 ( -0.089 3.796 -1.278) 4.006 29.012 ( -2.481 -3.217 3.264) 5.212 ======================= Grid point 58 (29/96) ======================= q-point: ( 0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.987 ( 5.622 -1.085 4.683) 7.397 2.059 ( 8.115 -2.115 5.779) 10.185 2.128 ( 5.649 -2.730 6.940) 9.356 2.281 ( 4.691 -4.512 14.513) 15.906 2.313 ( 0.514 -0.786 6.926) 6.989 2.379 ( 0.794 -5.167 6.215) 8.121 2.553 ( -1.215 2.762 19.305) 19.539 2.628 ( -0.812 0.446 19.811) 19.832 2.749 ( -1.772 7.339 5.666) 9.439 2.825 ( -0.722 4.993 1.573) 5.284 2.909 ( 3.143 4.804 -0.994) 5.826 3.084 ( -10.242 8.272 -1.500) 13.250 3.207 ( 0.540 3.025 4.633) 5.559 3.230 ( 1.249 1.735 8.712) 8.970 3.318 ( -0.803 -0.351 3.312) 3.427 3.393 ( -4.769 2.152 0.702) 5.279 3.422 ( 2.899 3.641 1.894) 5.025 3.518 ( 1.916 -0.450 6.181) 6.487 3.710 ( -7.548 6.181 6.062) 11.486 3.877 ( -11.431 -0.104 9.576) 14.912 4.353 ( 10.872 -17.891 -0.569) 20.943 4.491 ( 16.925 1.458 5.441) 17.838 4.562 ( -2.507 -11.059 -2.842) 11.690 4.786 ( 1.494 -5.808 5.649) 8.239 5.000 ( -2.109 0.384 3.969) 4.511 5.068 ( -6.201 -2.863 5.601) 8.833 5.383 ( 1.316 6.565 -1.512) 6.864 5.415 ( -1.161 6.234 -2.387) 6.776 5.526 ( 2.544 5.110 0.092) 5.709 5.696 ( -7.931 3.732 -0.285) 8.770 5.811 ( 2.924 -1.161 -2.955) 4.316 5.930 ( -2.569 0.709 -2.115) 3.402 6.054 ( 3.080 -0.449 0.008) 3.112 6.143 ( 0.208 -3.150 0.794) 3.255 6.239 ( -0.504 -3.359 -4.903) 5.964 6.334 ( 0.095 -4.578 -4.556) 6.459 6.696 ( 2.095 5.704 2.979) 6.768 6.902 ( 1.543 2.459 -4.827) 5.633 7.029 ( 0.299 -2.537 -5.700) 6.246 7.162 ( 2.835 -2.978 -8.138) 9.118 7.286 ( 1.405 3.474 12.756) 13.295 7.497 ( -2.819 2.809 8.883) 9.734 7.582 ( 1.740 -2.813 7.419) 8.124 7.705 ( -2.620 -3.299 6.119) 7.429 7.883 ( -0.351 5.522 12.571) 13.735 8.038 ( -2.497 3.021 6.914) 7.948 8.321 ( -1.894 4.605 1.513) 5.204 8.521 ( 1.254 -3.393 -5.794) 6.830 8.798 ( 0.292 0.530 -1.250) 1.388 8.891 ( -3.185 -5.516 -0.585) 6.396 9.245 ( 2.237 -1.727 -7.426) 7.945 9.316 ( -0.609 -0.160 -2.961) 3.027 9.445 ( -0.948 -4.562 2.316) 5.203 9.607 ( 1.100 -1.610 -5.748) 6.069 9.781 ( 0.576 1.089 -3.244) 3.470 9.903 ( -0.727 -1.004 -17.592) 17.636 10.031 ( 0.326 0.135 -5.077) 5.089 10.114 ( -0.509 -1.034 9.763) 9.831 10.275 ( 0.624 1.272 -3.957) 4.203 10.419 ( -2.540 2.926 5.388) 6.637 10.467 ( 0.625 5.470 4.881) 7.358 10.636 ( -0.876 1.098 6.922) 7.063 10.807 ( -2.368 3.232 3.913) 5.600 10.846 ( 0.368 2.782 6.708) 7.271 11.015 ( -2.055 -5.154 12.651) 13.815 11.083 ( 1.881 -3.416 14.968) 15.468 11.447 ( -0.726 3.549 1.125) 3.793 11.701 ( 0.271 -2.078 4.617) 5.070 12.083 ( 7.164 -1.356 -1.743) 7.497 12.193 ( 0.414 0.503 -5.339) 5.379 12.268 ( 3.252 -6.612 -2.184) 7.685 12.484 ( -5.943 -4.670 -3.855) 8.485 12.667 ( -1.861 3.317 -3.343) 5.064 12.792 ( 0.942 -3.402 -6.820) 7.679 13.154 ( -0.436 6.994 3.111) 7.667 13.355 ( 0.958 -0.683 -1.213) 1.689 13.470 ( -1.791 1.451 -5.809) 6.249 13.508 ( -1.123 0.796 -3.605) 3.859 13.915 ( 6.315 -0.451 -3.863) 7.416 14.060 ( -3.306 -4.751 -4.311) 7.217 14.341 ( 0.980 8.654 -5.654) 10.384 14.635 ( -0.553 -2.913 -3.454) 4.552 14.836 ( 5.414 4.303 4.111) 8.045 15.068 ( -0.346 -3.443 3.582) 4.981 15.430 ( 2.541 0.221 15.412) 15.621 15.463 ( -3.450 -1.352 10.238) 10.888 15.727 ( 8.952 0.357 16.528) 18.800 15.932 ( -4.907 -8.338 14.865) 17.736 16.338 ( -0.914 3.982 9.460) 10.304 16.406 ( 5.764 1.901 11.832) 13.298 16.536 ( -1.359 5.243 8.409) 10.003 16.709 ( -1.499 -1.952 12.839) 13.073 17.737 ( -1.593 7.804 -0.194) 7.967 18.063 ( -3.502 6.928 -1.475) 7.901 18.169 ( -1.863 -6.526 0.916) 6.848 18.453 ( -5.439 -4.815 -1.877) 7.502 18.512 ( -0.996 -1.188 0.128) 1.555 18.567 ( -3.202 -2.435 0.962) 4.137 19.490 ( 3.611 6.575 -2.990) 8.075 19.823 ( 1.754 -5.475 -0.084) 5.750 22.824 ( 4.463 1.384 7.036) 8.446 22.971 ( -0.270 -3.608 6.973) 7.856 24.484 ( 0.730 1.734 -4.833) 5.186 24.561 ( -3.155 -0.949 -5.437) 6.357 26.588 ( 0.165 6.687 -1.393) 6.833 26.974 ( -1.542 -6.951 0.086) 7.121 28.829 ( 1.360 2.663 -0.644) 3.059 28.966 ( -1.888 -2.225 3.672) 4.690 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.967 ( -4.819 0.866 5.180) 7.128 2.133 ( -6.035 -2.492 7.192) 9.714 2.198 ( -4.018 -2.185 7.583) 8.856 2.223 ( -1.724 -3.714 8.871) 9.770 2.348 ( 2.670 -3.761 8.945) 10.064 2.441 ( 2.528 -7.118 7.974) 10.984 2.553 ( -0.060 2.136 22.768) 22.868 2.588 ( 0.227 1.770 14.484) 14.593 2.715 ( 1.058 6.477 4.942) 8.216 2.842 ( -2.452 3.037 2.534) 4.654 2.958 ( 1.517 9.730 2.680) 10.205 3.052 ( 8.617 5.912 -1.161) 10.515 3.215 ( 0.261 1.046 6.350) 6.441 3.254 ( 1.989 -0.163 7.836) 8.086 3.310 ( -1.423 0.425 2.344) 2.775 3.340 ( -5.443 4.477 2.111) 7.357 3.402 ( 3.331 3.732 1.803) 5.317 3.539 ( -1.459 -0.399 4.551) 4.796 3.712 ( 7.670 8.989 5.294) 12.948 3.901 ( 12.728 -1.583 10.770) 16.748 4.349 ( -11.956 -15.733 0.314) 19.763 4.445 ( -9.377 -3.829 1.801) 10.288 4.664 ( -3.688 -7.094 -0.107) 7.997 4.782 ( 0.841 -8.192 7.832) 11.364 5.001 ( 4.954 1.419 4.629) 6.927 5.053 ( 3.795 -0.533 4.646) 6.022 5.358 ( -2.294 6.174 -1.403) 6.734 5.443 ( 0.651 4.486 -2.474) 5.164 5.530 ( -1.412 7.687 -0.915) 7.869 5.680 ( 8.083 3.232 -0.468) 8.718 5.811 ( -5.771 -0.297 -3.159) 6.586 5.906 ( 2.963 -1.277 -2.437) 4.044 6.056 ( -4.387 0.297 0.451) 4.420 6.122 ( -0.839 -2.532 0.960) 2.835 6.223 ( -0.986 -3.466 -4.893) 6.077 6.351 ( 1.016 -5.197 -4.236) 6.782 6.681 ( -3.129 5.732 1.573) 6.717 6.935 ( 1.377 1.303 -4.127) 4.542 7.031 ( -0.193 -1.000 -4.942) 5.046 7.211 ( 1.871 -2.435 -10.139) 10.594 7.317 ( 0.621 2.231 15.418) 15.591 7.467 ( 0.570 -1.909 5.920) 6.247 7.563 ( -2.688 0.136 11.696) 12.002 7.694 ( 1.260 -0.909 2.510) 2.952 7.874 ( 0.433 7.512 14.083) 15.967 8.084 ( 5.127 3.032 6.668) 8.941 8.311 ( 1.139 2.515 1.583) 3.183 8.562 ( 2.094 -3.273 -4.266) 5.771 8.803 ( 0.072 -3.303 -0.686) 3.374 8.866 ( 1.490 -4.699 -1.576) 5.176 9.275 ( -1.150 -0.425 -4.704) 4.861 9.315 ( 2.094 1.328 -3.188) 4.039 9.443 ( 0.478 -2.344 3.643) 4.358 9.604 ( -1.136 -2.649 -7.347) 7.892 9.787 ( 0.271 0.338 -4.644) 4.664 9.900 ( 0.599 -3.522 -16.070) 16.462 10.034 ( -0.820 -1.573 2.773) 3.292 10.109 ( 0.698 0.226 -0.033) 0.734 10.274 ( -1.572 2.197 -2.631) 3.771 10.384 ( -0.850 3.196 0.168) 3.311 10.457 ( -0.332 6.862 4.084) 7.992 10.612 ( -0.819 0.912 8.487) 8.575 10.760 ( -1.594 6.759 6.883) 9.777 10.906 ( 2.737 -0.612 9.102) 9.525 10.972 ( -1.148 -2.266 11.359) 11.640 11.132 ( 2.813 -5.823 12.101) 13.721 11.455 ( 1.450 1.917 1.774) 2.987 11.702 ( -0.118 -2.237 4.939) 5.424 12.102 ( -4.864 -2.520 -2.815) 6.159 12.222 ( 1.276 -3.315 -2.186) 4.171 12.309 ( -1.209 -2.333 -0.379) 2.655 12.394 ( -0.045 -4.709 -6.600) 8.108 12.657 ( 1.049 4.907 -3.988) 6.410 12.835 ( 2.930 -3.071 -5.335) 6.817 13.131 ( -1.091 6.995 1.904) 7.331 13.329 ( -2.464 -0.219 -2.750) 3.698 13.478 ( 0.996 1.112 -4.173) 4.432 13.516 ( 1.624 -0.234 -3.102) 3.509 13.966 ( -4.259 -0.894 -3.356) 5.496 14.048 ( 5.160 -3.262 -4.533) 7.604 14.341 ( -0.953 9.145 -5.420) 10.673 14.583 ( -4.330 -1.101 -4.119) 6.077 14.894 ( -1.386 2.461 5.445) 6.134 15.044 ( -0.823 -2.276 1.873) 3.060 15.311 ( -5.312 0.669 5.969) 8.018 15.562 ( 4.605 -7.259 17.883) 19.842 15.770 ( -4.989 -0.026 18.716) 19.369 15.996 ( 11.435 -3.874 18.479) 22.074 16.310 ( -2.066 3.924 8.339) 9.445 16.450 ( -0.200 2.152 17.511) 17.644 16.582 ( 4.075 3.149 5.517) 7.547 16.714 ( 1.843 -0.871 13.033) 13.192 17.692 ( -1.643 7.658 -1.750) 8.025 18.056 ( -0.441 4.534 -2.541) 5.216 18.142 ( 2.714 -4.438 0.397) 5.217 18.391 ( -0.483 -2.924 -2.299) 3.750 18.536 ( 3.004 -0.864 0.619) 3.186 18.627 ( 8.163 -4.059 1.492) 9.238 19.553 ( 2.564 6.068 -0.100) 6.588 19.852 ( 1.180 -4.708 1.363) 5.041 22.808 ( -7.206 0.099 6.415) 9.649 22.897 ( -5.784 -3.042 3.576) 7.450 24.510 ( 1.214 1.691 -3.600) 4.158 24.571 ( 4.345 -0.385 -4.702) 6.414 26.600 ( 0.977 6.633 -0.974) 6.775 26.980 ( 2.010 -6.760 0.229) 7.056 28.872 ( 2.669 1.316 -0.356) 2.997 28.938 ( -0.729 -1.032 3.991) 4.186 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( -17.873 -0.387 6.051) 18.873 1.881 ( -8.076 0.717 6.300) 10.268 2.060 ( -6.323 0.351 12.355) 13.883 2.106 ( -10.226 -2.721 13.762) 17.360 2.389 ( -1.556 -0.863 6.314) 6.560 2.461 ( -0.231 -3.152 11.466) 11.894 2.613 ( 0.595 6.877 5.873) 9.063 2.658 ( 8.227 0.435 13.637) 15.932 2.732 ( -0.267 7.323 14.398) 16.156 2.845 ( 4.044 2.363 0.223) 4.689 3.002 ( 2.746 4.946 1.709) 5.909 3.117 ( -4.625 0.599 6.279) 7.821 3.209 ( 1.813 1.290 1.642) 2.765 3.265 ( -4.018 -0.770 9.259) 10.123 3.321 ( 4.106 0.048 5.403) 6.786 3.391 ( 7.564 1.318 5.099) 9.217 3.484 ( 9.948 0.775 5.094) 11.203 3.645 ( 9.312 5.313 7.218) 12.924 3.801 ( -18.004 6.033 8.252) 20.704 4.009 ( 7.835 4.601 -0.276) 9.090 4.193 ( -0.448 -14.109 2.689) 14.370 4.310 ( 3.964 -9.057 3.057) 10.348 4.508 ( -10.739 -10.748 4.367) 15.808 4.797 ( 2.470 -11.426 1.699) 11.813 5.075 ( 3.348 4.962 4.874) 7.720 5.203 ( 3.688 2.027 1.468) 4.457 5.256 ( -1.480 6.429 2.585) 7.085 5.462 ( -0.849 2.087 -4.024) 4.612 5.597 ( 1.421 1.533 -4.855) 5.285 5.637 ( -3.217 0.608 -2.993) 4.435 5.839 ( -0.302 3.015 -0.236) 3.040 5.925 ( 0.806 -1.193 -1.902) 2.385 6.000 ( 0.302 2.623 1.013) 2.828 6.083 ( -1.958 -1.600 -0.308) 2.548 6.189 ( -2.577 -3.421 -2.253) 4.840 6.346 ( -1.843 -3.016 -3.825) 5.208 6.611 ( -2.999 7.958 -0.979) 8.561 6.948 ( -0.153 1.106 -3.300) 3.484 7.003 ( -2.097 0.264 -5.353) 5.755 7.238 ( -0.112 -1.163 0.365) 1.224 7.321 ( 1.075 -0.313 2.739) 2.959 7.469 ( -1.532 -3.269 7.128) 7.990 7.568 ( 3.430 1.990 12.206) 12.834 7.719 ( 0.785 0.023 6.077) 6.128 7.925 ( 5.348 10.788 15.741) 19.818 8.185 ( 3.875 4.024 1.134) 5.700 8.366 ( 3.556 -0.151 1.090) 3.722 8.589 ( 0.880 0.972 -4.499) 4.686 8.839 ( 3.565 -5.689 -0.529) 6.735 8.931 ( 4.354 -5.476 -1.309) 7.117 9.222 ( -3.675 -0.939 -1.585) 4.111 9.353 ( 1.078 1.341 -3.430) 3.837 9.464 ( 1.389 0.340 4.507) 4.729 9.587 ( 0.022 -4.735 -8.125) 9.404 9.796 ( 0.389 0.894 -5.314) 5.403 9.902 ( -1.771 -4.536 -5.488) 7.337 10.006 ( -0.544 0.473 -9.238) 9.266 10.134 ( 1.035 0.087 1.402) 1.745 10.224 ( -1.558 1.712 -7.620) 7.964 10.363 ( -1.563 1.233 0.322) 2.016 10.492 ( 2.979 4.890 1.625) 5.952 10.599 ( -0.458 0.286 10.191) 10.205 10.732 ( -1.407 6.611 11.365) 13.223 10.910 ( -1.268 0.392 12.558) 12.628 10.998 ( 2.479 -0.969 8.263) 8.681 11.206 ( 4.343 -6.263 8.236) 11.222 11.503 ( 3.029 1.241 1.473) 3.589 11.695 ( -0.547 -2.969 5.382) 6.171 11.947 ( -9.887 -1.910 0.679) 10.093 12.159 ( -5.336 1.193 -1.631) 5.706 12.290 ( -0.810 -4.786 1.038) 4.964 12.446 ( 3.365 -7.604 -6.821) 10.755 12.713 ( 3.877 6.475 -4.803) 8.945 12.884 ( 1.491 -1.627 -4.055) 4.617 13.149 ( 3.357 4.538 1.316) 5.796 13.267 ( -3.449 0.489 -0.800) 3.574 13.504 ( 2.280 0.004 -5.305) 5.774 13.539 ( -0.341 -1.934 -5.717) 6.045 13.889 ( -2.406 2.331 -1.157) 3.545 14.118 ( 0.735 -1.989 -5.745) 6.124 14.308 ( -2.261 3.824 -4.689) 6.459 14.476 ( -5.125 0.331 -4.987) 7.159 14.792 ( -6.879 0.265 3.720) 7.825 15.037 ( -0.567 -5.286 2.523) 5.884 15.246 ( -1.823 1.773 6.668) 7.137 15.591 ( -2.380 -7.193 7.051) 10.350 15.703 ( -0.478 6.865 24.562) 25.507 16.193 ( 3.201 -7.187 16.325) 18.122 16.268 ( -0.785 4.140 5.774) 7.148 16.464 ( 3.147 0.472 15.952) 16.266 16.657 ( 4.531 4.001 9.037) 10.872 16.804 ( 7.530 -0.149 19.989) 21.361 17.704 ( 2.747 8.447 1.760) 9.055 18.058 ( 2.751 -0.968 -3.076) 4.239 18.275 ( 7.755 0.320 0.913) 7.816 18.399 ( 0.924 -0.996 -2.009) 2.426 18.633 ( 6.843 1.494 -0.657) 7.035 18.861 ( 13.657 -4.882 -0.238) 14.506 19.602 ( 2.604 5.262 3.998) 7.103 19.877 ( 1.488 -4.416 3.856) 6.049 22.515 ( -20.669 1.111 5.970) 21.543 22.757 ( -9.131 -8.307 1.322) 12.415 24.555 ( 3.330 4.051 -2.975) 6.029 24.687 ( 6.391 -1.013 -5.114) 8.247 26.627 ( 1.719 8.212 -0.058) 8.390 27.050 ( 4.669 -6.930 0.930) 8.408 28.903 ( -0.064 1.160 0.888) 1.462 28.971 ( 4.352 -1.078 2.976) 5.381 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( -19.752 6.053 9.359) 22.680 1.630 ( -18.339 7.361 16.466) 25.722 1.948 ( -1.633 -7.413 7.805) 10.888 1.978 ( -4.102 -5.811 15.368) 16.934 2.318 ( -5.901 4.408 4.872) 8.831 2.425 ( -4.659 2.976 12.155) 13.353 2.573 ( -4.759 9.738 5.523) 12.165 2.688 ( -10.777 8.315 16.736) 21.573 2.714 ( 0.004 4.222 18.883) 19.350 2.886 ( -2.236 4.223 8.073) 9.382 3.009 ( -2.506 5.455 9.614) 11.334 3.074 ( 2.991 0.813 3.079) 4.369 3.187 ( 0.270 -0.152 -2.827) 2.844 3.287 ( 8.848 -3.273 8.391) 12.626 3.447 ( 3.766 -2.351 1.893) 4.826 3.476 ( 0.994 -1.593 2.632) 3.233 3.592 ( 6.270 0.855 7.529) 9.835 3.738 ( 10.079 0.895 3.766) 10.797 3.828 ( 5.585 -0.217 7.098) 9.035 4.001 ( -0.616 -3.815 1.495) 4.144 4.207 ( -7.384 -14.542 5.629) 17.253 4.394 ( 12.112 -9.299 4.117) 15.815 4.545 ( 8.642 -9.214 2.556) 12.888 4.835 ( 1.025 -7.575 0.702) 7.676 5.113 ( -0.506 6.650 2.061) 6.981 5.184 ( 0.331 5.733 2.586) 6.298 5.288 ( -6.182 0.544 -2.746) 6.786 5.352 ( -1.629 1.638 -2.969) 3.762 5.625 ( 2.409 1.924 1.226) 3.318 5.662 ( 1.733 0.935 -6.374) 6.671 5.758 ( -4.172 4.875 -0.504) 6.436 5.918 ( -3.051 -3.517 -3.144) 5.618 5.983 ( -2.946 2.088 -0.317) 3.625 6.076 ( -0.613 -0.784 -0.620) 1.172 6.155 ( 0.753 -1.270 -0.469) 1.549 6.274 ( -4.983 -0.383 -3.937) 6.362 6.566 ( -1.526 10.855 -3.180) 11.413 6.917 ( -2.782 -1.882 -2.647) 4.276 6.982 ( 0.403 5.692 -6.148) 8.388 7.217 ( -0.904 -1.227 9.237) 9.362 7.341 ( -0.039 -2.242 -0.046) 2.243 7.463 ( 1.539 -3.527 2.010) 4.341 7.633 ( 2.264 -0.174 9.811) 10.071 7.744 ( 2.075 0.098 4.930) 5.350 8.098 ( 10.641 11.598 20.660) 25.973 8.236 ( 1.348 5.250 1.601) 5.652 8.433 ( 3.561 1.089 -4.686) 5.986 8.616 ( 1.976 2.450 -5.873) 6.663 8.919 ( 3.205 -3.601 -0.271) 4.828 9.013 ( 3.023 -1.818 -1.987) 4.049 9.144 ( -3.006 -0.681 0.751) 3.172 9.386 ( 2.823 -2.680 -5.245) 6.531 9.483 ( 0.019 1.625 5.277) 5.522 9.577 ( -2.111 -2.847 -7.804) 8.572 9.790 ( -0.669 3.260 -7.381) 8.097 9.837 ( -2.118 -4.216 -3.574) 5.919 10.044 ( 3.347 -1.108 -6.923) 7.769 10.144 ( -0.120 -3.057 0.610) 3.119 10.233 ( 2.013 1.541 -10.447) 10.750 10.331 ( -1.361 0.223 0.056) 1.380 10.522 ( 0.034 2.837 2.667) 3.894 10.607 ( 0.384 1.824 9.006) 9.197 10.715 ( 0.153 2.119 12.338) 12.519 10.866 ( -2.665 -0.480 14.935) 15.178 11.059 ( 3.205 1.094 7.828) 8.529 11.287 ( 2.781 -5.402 7.338) 9.527 11.541 ( -0.980 0.669 0.970) 1.532 11.688 ( -3.273 -8.727 6.140) 11.161 11.752 ( -3.742 6.074 2.902) 7.702 12.038 ( -6.558 -0.248 1.504) 6.733 12.281 ( 0.725 -2.551 -1.595) 3.095 12.517 ( 3.674 -9.816 -5.190) 11.695 12.750 ( -1.094 7.328 -2.637) 7.865 12.922 ( 2.523 -0.643 -4.360) 5.079 13.151 ( -3.474 1.845 2.685) 4.762 13.309 ( 6.881 -1.973 -0.857) 7.210 13.488 ( -2.886 2.524 -9.355) 10.110 13.578 ( 3.995 -0.522 -7.168) 8.223 13.875 ( 0.163 2.363 -0.518) 2.425 14.077 ( -3.619 2.180 -6.829) 8.030 14.230 ( -4.997 -1.354 -3.053) 6.010 14.416 ( -1.152 -2.805 -5.651) 6.413 14.645 ( -7.476 -2.594 4.053) 8.890 15.020 ( -1.065 -9.450 5.338) 10.905 15.212 ( -1.430 5.811 2.250) 6.393 15.532 ( -2.389 0.957 3.038) 3.981 15.706 ( -0.174 4.629 22.831) 23.296 16.156 ( -3.146 0.722 5.671) 6.525 16.227 ( -4.170 0.810 7.527) 8.643 16.502 ( -1.340 -6.431 5.404) 8.506 16.886 ( 17.234 5.541 23.979) 30.045 17.028 ( 14.587 -0.419 25.614) 29.479 17.794 ( 6.211 11.309 6.173) 14.303 18.165 ( 6.523 -0.966 -5.752) 8.751 18.394 ( 2.288 -0.376 -0.457) 2.363 18.463 ( 7.775 -2.575 2.731) 8.633 18.817 ( 10.862 5.772 -3.218) 12.714 19.133 ( 11.924 -3.981 -2.683) 12.854 19.679 ( 5.724 4.293 10.439) 12.655 19.939 ( 5.800 -4.711 8.836) 11.572 21.981 ( -31.886 2.638 6.605) 32.670 22.487 ( -18.697 -20.227 2.969) 27.705 24.637 ( 4.537 6.452 -4.330) 8.998 24.814 ( 5.858 -1.500 -5.957) 8.488 26.677 ( 3.434 11.901 -0.109) 12.387 27.159 ( 5.839 -6.857 2.657) 9.390 28.899 ( -0.064 3.402 1.506) 3.721 29.082 ( 6.069 -3.148 1.719) 7.050 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -11.790 17.587 16.703) 26.968 1.235 ( -18.300 16.711 19.977) 31.831 1.831 ( -8.101 -7.002 18.341) 21.238 1.968 ( -20.847 13.963 31.054) 39.924 2.056 ( 4.246 -11.134 6.965) 13.802 2.293 ( -3.699 10.399 3.406) 11.551 2.444 ( -4.745 2.727 13.187) 14.278 2.582 ( -1.783 4.174 12.722) 13.508 2.694 ( -2.588 1.478 15.295) 15.583 2.816 ( -2.623 3.538 11.954) 12.739 3.059 ( 3.416 6.842 1.853) 7.869 3.136 ( 2.102 4.252 -0.241) 4.749 3.244 ( 5.570 0.165 -3.353) 6.504 3.403 ( -0.629 -6.425 12.922) 14.445 3.493 ( 3.831 -2.953 2.898) 5.638 3.579 ( 5.344 -5.469 -0.005) 7.646 3.705 ( 3.904 -5.979 4.559) 8.472 3.796 ( 1.778 -4.477 2.477) 5.417 3.978 ( 7.083 -6.638 7.649) 12.358 4.109 ( 6.249 -3.199 12.358) 14.213 4.153 ( 2.187 -2.745 7.558) 8.333 4.586 ( 6.498 -14.790 2.200) 16.303 4.708 ( 6.263 -5.762 -0.356) 8.517 4.842 ( 0.288 -5.053 -0.988) 5.156 5.051 ( -4.850 5.264 -0.687) 7.191 5.151 ( -0.126 2.140 0.831) 2.299 5.244 ( 0.441 4.550 1.814) 4.918 5.338 ( 0.068 1.893 -0.482) 1.955 5.576 ( -8.127 2.522 -1.087) 8.578 5.619 ( -6.323 2.312 -2.748) 7.272 5.755 ( 1.902 2.460 -4.687) 5.625 5.853 ( -0.250 1.462 -4.801) 5.025 5.942 ( -1.047 0.894 -2.706) 3.036 6.033 ( -2.662 0.977 0.531) 2.885 6.144 ( -3.747 1.115 -2.054) 4.416 6.203 ( 0.093 -3.782 -0.154) 3.786 6.548 ( -0.232 13.848 -5.665) 14.964 6.855 ( -2.814 -3.127 -2.366) 4.826 7.008 ( 1.646 9.786 -6.834) 12.049 7.221 ( 1.127 -4.833 11.090) 12.150 7.334 ( -0.428 -4.208 3.312) 5.372 7.502 ( 1.647 -3.261 -0.400) 3.675 7.660 ( 0.370 -1.717 4.470) 4.802 7.799 ( 2.892 -1.335 2.390) 3.983 8.203 ( -1.710 2.100 1.828) 3.267 8.304 ( 4.727 3.709 8.869) 10.713 8.558 ( 7.369 7.496 -4.496) 11.433 8.663 ( 2.378 0.505 -7.207) 7.606 8.929 ( -1.801 0.662 -4.102) 4.529 9.123 ( 8.235 3.368 3.120) 9.428 9.137 ( 4.617 0.133 4.488) 6.440 9.402 ( -4.643 2.502 -4.352) 6.838 9.453 ( 1.860 -2.846 -2.505) 4.223 9.560 ( 0.705 0.341 -4.279) 4.350 9.812 ( -0.025 -2.693 -5.626) 6.238 9.848 ( 6.375 -1.208 -6.084) 8.894 10.087 ( 0.133 -2.226 0.371) 2.261 10.147 ( 0.749 -3.413 -1.335) 3.741 10.282 ( 2.250 1.127 -10.550) 10.846 10.311 ( -0.084 0.733 -1.464) 1.640 10.516 ( -1.645 1.365 4.777) 5.233 10.606 ( 1.222 2.092 10.677) 10.948 10.698 ( -2.517 0.549 12.204) 12.473 10.855 ( 1.821 -4.134 15.705) 16.342 11.117 ( 2.353 0.935 8.842) 9.198 11.305 ( -0.921 -4.115 7.903) 8.958 11.421 ( -9.736 -1.796 4.649) 10.937 11.539 ( -7.556 -4.723 8.943) 12.624 11.848 ( 6.309 2.760 2.556) 7.345 11.927 ( -2.273 -1.026 2.041) 3.223 12.326 ( 3.261 0.517 -4.403) 5.503 12.580 ( 1.331 -5.908 -3.163) 6.833 12.715 ( -0.342 4.558 0.431) 4.591 12.950 ( -0.271 -1.958 -3.629) 4.133 13.071 ( -4.619 0.685 -1.107) 4.799 13.315 ( -6.842 -7.156 -6.113) 11.635 13.539 ( 5.666 9.580 -5.897) 12.596 13.639 ( 2.360 -0.126 -5.506) 5.992 13.862 ( -0.475 6.480 -3.283) 7.279 14.018 ( -2.493 2.766 -6.211) 7.242 14.155 ( -1.430 -1.270 -3.143) 3.679 14.379 ( -4.019 -11.327 -3.441) 12.502 14.520 ( -2.878 0.871 3.368) 4.515 14.989 ( -2.082 -12.105 5.803) 13.584 15.200 ( 0.161 8.010 2.094) 8.281 15.503 ( -0.473 1.624 0.655) 1.813 15.697 ( -0.483 7.471 17.435) 18.974 16.101 ( -2.547 2.625 6.454) 7.418 16.127 ( -4.917 1.648 3.953) 6.520 16.442 ( -3.828 -6.403 2.273) 7.799 17.202 ( 11.079 3.028 18.080) 21.419 17.394 ( 17.361 -5.725 24.968) 30.944 18.003 ( 15.852 15.214 5.853) 22.738 18.271 ( 3.408 0.144 -10.108) 10.668 18.447 ( 5.176 1.362 3.233) 6.253 18.673 ( 10.856 -4.458 3.182) 12.159 19.037 ( 9.457 6.362 -6.548) 13.145 19.306 ( 4.626 -2.954 -5.104) 7.496 19.891 ( 16.751 4.958 17.236) 24.541 20.181 ( 18.732 -5.141 13.885) 23.877 21.234 ( -40.285 2.170 10.840) 41.775 21.937 ( -35.313 -39.633 24.305) 58.382 24.729 ( 4.111 7.417 -7.982) 11.646 24.916 ( 3.936 -2.158 -6.279) 7.719 26.772 ( 5.232 16.096 -5.338) 17.747 27.298 ( 8.856 -8.324 7.954) 14.526 28.913 ( 1.911 6.453 0.647) 6.761 29.187 ( 2.947 -4.864 -0.760) 5.738 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( -1.833 -11.054 17.344) 20.648 1.382 ( -1.833 11.054 17.344) 20.648 1.590 ( -1.602 -19.393 17.076) 25.889 1.590 ( -1.602 19.393 17.076) 25.889 2.344 ( 0.896 -11.150 17.216) 20.531 2.344 ( 0.896 11.150 17.216) 20.531 2.449 ( -1.889 -9.530 12.864) 16.120 2.449 ( -1.889 9.530 12.864) 16.120 2.865 ( -0.874 -18.319 13.075) 22.523 2.865 ( -0.874 18.319 13.075) 22.523 2.958 ( -0.171 -11.301 5.200) 12.442 2.958 ( -0.171 11.301 5.200) 12.442 3.336 ( -1.256 -12.689 -3.263) 13.162 3.336 ( -1.256 12.689 -3.263) 13.162 3.532 ( 1.805 -4.259 -0.081) 4.627 3.532 ( 1.805 4.259 -0.081) 4.627 3.722 ( 2.078 -5.631 7.412) 9.537 3.722 ( 2.078 5.631 7.412) 9.537 4.062 ( -2.287 -9.516 8.020) 12.653 4.062 ( -2.287 9.516 8.020) 12.653 4.323 ( -0.295 -9.807 4.547) 10.813 4.323 ( -0.295 9.807 4.547) 10.813 4.777 ( 1.368 -3.292 -3.415) 4.937 4.777 ( 1.368 3.292 -3.415) 4.937 5.124 ( 0.441 -3.033 1.080) 3.249 5.124 ( 0.441 3.033 1.080) 3.249 5.339 ( 0.547 -2.880 -0.442) 2.965 5.339 ( 0.547 2.880 -0.442) 2.965 5.508 ( -0.980 -1.520 -1.938) 2.650 5.508 ( -0.980 1.520 -1.938) 2.650 5.895 ( 0.746 -3.624 -3.804) 5.306 5.895 ( 0.746 3.624 -3.804) 5.306 5.952 ( -0.499 -2.024 -2.288) 3.096 5.952 ( -0.499 2.024 -2.288) 3.096 6.143 ( 0.026 -2.569 1.787) 3.130 6.143 ( 0.026 2.569 1.787) 3.130 6.743 ( -0.179 -4.169 -2.451) 4.840 6.743 ( -0.179 4.169 -2.451) 4.840 7.175 ( -1.396 -1.598 3.216) 3.853 7.175 ( -1.396 1.598 3.216) 3.853 7.353 ( 0.081 -11.080 -3.135) 11.515 7.353 ( 0.081 11.080 -3.135) 11.515 7.706 ( 0.124 -6.376 4.005) 7.530 7.706 ( 0.124 6.376 4.005) 7.530 8.276 ( -0.036 -5.142 4.291) 6.697 8.276 ( -0.036 5.142 4.291) 6.697 8.705 ( 0.852 -2.142 -9.100) 9.388 8.705 ( 0.852 2.142 -9.100) 9.388 9.050 ( -2.413 -9.356 -4.892) 10.830 9.050 ( -2.413 9.356 -4.892) 10.830 9.293 ( 0.120 -4.923 -7.539) 9.005 9.293 ( 0.120 4.923 -7.539) 9.005 9.550 ( 2.263 -4.083 -0.271) 4.676 9.550 ( 2.263 4.083 -0.271) 4.676 9.890 ( 2.465 -5.455 -5.899) 8.405 9.890 ( 2.465 5.455 -5.899) 8.405 10.091 ( -0.374 -2.429 -6.146) 6.619 10.091 ( -0.374 2.429 -6.146) 6.619 10.299 ( -3.169 -2.511 2.713) 4.869 10.299 ( -3.169 2.511 2.713) 4.869 10.569 ( 2.734 -7.224 11.779) 14.086 10.569 ( 2.734 7.224 11.779) 14.086 10.764 ( 3.069 -5.041 16.774) 17.782 10.764 ( 3.069 5.041 16.774) 17.782 11.144 ( -3.364 -2.659 9.438) 10.366 11.144 ( -3.364 2.659 9.438) 10.366 11.339 ( -2.717 -2.156 6.008) 6.937 11.339 ( -2.717 2.156 6.008) 6.937 11.923 ( 1.562 -4.040 1.447) 4.567 11.923 ( 1.562 4.040 1.447) 4.567 12.493 ( -0.842 -5.621 -4.060) 6.985 12.493 ( -0.842 5.621 -4.060) 6.985 12.859 ( 0.199 -3.866 -0.093) 3.873 12.859 ( 0.199 3.866 -0.093) 3.873 13.084 ( 0.848 -5.864 -2.849) 6.574 13.084 ( 0.848 5.864 -2.849) 6.574 13.702 ( 1.458 -4.092 -5.236) 6.804 13.702 ( 1.458 4.092 -5.236) 6.804 13.979 ( -2.825 -2.404 -6.331) 7.338 13.979 ( -2.825 2.404 -6.331) 7.338 14.153 ( -0.074 -5.580 -4.194) 6.981 14.153 ( -0.074 5.580 -4.194) 6.981 14.640 ( -0.264 -11.228 5.745) 12.615 14.640 ( -0.264 11.228 5.745) 12.615 15.382 ( 0.917 -7.579 6.925) 10.307 15.382 ( 0.917 7.579 6.925) 10.307 15.940 ( -1.038 -7.128 9.850) 12.203 15.940 ( -1.038 7.128 9.850) 12.203 16.216 ( -2.123 -7.232 -2.919) 8.083 16.216 ( -2.123 7.232 -2.919) 8.083 17.413 ( -0.183 -5.444 17.839) 18.652 17.413 ( -0.183 5.444 17.839) 18.652 18.303 ( 0.361 -1.604 -11.151) 11.272 18.303 ( 0.361 1.604 -11.151) 11.272 18.748 ( 4.929 -3.671 0.807) 6.199 18.748 ( 4.929 3.671 0.807) 6.199 19.245 ( 0.237 -3.978 -5.960) 7.169 19.245 ( 0.237 3.978 -5.960) 7.169 20.101 ( -32.911 -9.472 0.424) 34.249 20.101 ( -32.911 9.472 0.424) 34.249 20.983 ( 27.424 -11.361 46.799) 55.419 20.983 ( 27.424 11.361 46.799) 55.419 24.887 ( -0.100 -3.810 -8.082) 8.936 24.887 ( -0.100 3.810 -8.082) 8.936 27.143 ( 0.136 -14.098 -1.602) 14.190 27.143 ( 0.136 14.098 -1.602) 14.190 29.085 ( -1.042 -3.660 -1.452) 4.073 29.085 ( -1.042 3.660 -1.452) 4.073 ======================= Grid point 65 (35/96) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( 6.408 -14.090 14.114) 20.947 1.445 ( 6.408 14.090 14.114) 20.947 1.564 ( 1.941 -16.118 16.813) 23.371 1.564 ( 1.941 16.118 16.813) 23.371 2.373 ( 0.788 -4.440 13.162) 13.913 2.373 ( 0.788 4.440 13.162) 13.913 2.554 ( 9.844 -10.558 17.344) 22.565 2.554 ( 9.844 10.558 17.344) 22.565 2.898 ( 2.753 -15.444 3.419) 16.056 2.898 ( 2.753 15.444 3.419) 16.056 2.993 ( 4.498 -13.927 7.702) 16.538 2.993 ( 4.498 13.927 7.702) 16.538 3.269 ( -4.026 -10.424 1.681) 11.300 3.269 ( -4.026 10.424 1.681) 11.300 3.510 ( -4.017 -8.372 -2.713) 9.674 3.510 ( -4.017 8.372 -2.713) 9.674 3.678 ( -4.937 -2.094 7.578) 9.284 3.678 ( -4.937 2.094 7.578) 9.284 3.968 ( -5.599 -7.522 8.665) 12.767 3.968 ( -5.599 7.522 8.665) 12.767 4.271 ( -4.638 -9.150 4.471) 11.190 4.271 ( -4.638 9.150 4.471) 11.190 4.742 ( -4.979 -4.345 -1.864) 6.866 4.742 ( -4.979 4.345 -1.864) 6.866 5.142 ( 1.894 -1.237 0.241) 2.275 5.142 ( 1.894 1.237 0.241) 2.275 5.344 ( 1.212 -3.299 0.161) 3.518 5.344 ( 1.212 3.299 0.161) 3.518 5.598 ( 5.212 -0.865 -4.221) 6.763 5.598 ( 5.212 0.865 -4.221) 6.763 5.843 ( -2.271 -4.107 -0.712) 4.747 5.843 ( -2.271 4.107 -0.712) 4.747 6.014 ( 3.492 -2.029 -2.724) 4.872 6.014 ( 3.492 2.029 -2.724) 4.872 6.164 ( 2.410 -2.803 -0.328) 3.711 6.164 ( 2.410 2.803 -0.328) 3.711 6.745 ( 0.396 -4.611 -1.378) 4.829 6.745 ( 0.396 4.611 -1.378) 4.829 7.139 ( -2.069 -1.408 0.956) 2.679 7.139 ( -2.069 1.408 0.956) 2.679 7.334 ( -1.386 -10.518 -3.278) 11.104 7.334 ( -1.386 10.518 -3.278) 11.104 7.714 ( 0.365 -6.233 5.860) 8.563 7.714 ( 0.365 6.233 5.860) 8.563 8.275 ( -0.429 -5.971 6.054) 8.514 8.275 ( -0.429 5.971 6.054) 8.514 8.703 ( -1.405 -3.286 -8.088) 8.842 8.703 ( -1.405 3.286 -8.088) 8.842 8.975 ( -4.579 -8.112 -1.200) 9.392 8.975 ( -4.579 8.112 -1.200) 9.392 9.271 ( -2.102 -4.305 -11.110) 12.099 9.271 ( -2.102 4.305 -11.110) 12.099 9.586 ( -0.871 -3.712 0.586) 3.857 9.586 ( -0.871 3.712 0.586) 3.857 9.848 ( -3.236 -7.319 1.341) 8.114 9.848 ( -3.236 7.319 1.341) 8.114 10.081 ( 0.142 -4.911 -12.537) 13.465 10.081 ( 0.142 4.911 -12.537) 13.465 10.224 ( -1.960 -1.704 5.832) 6.384 10.224 ( -1.960 1.704 5.832) 6.384 10.632 ( 0.211 -9.067 11.166) 14.385 10.632 ( 0.211 9.067 11.166) 14.385 10.863 ( 5.555 -3.246 17.304) 18.462 10.863 ( 5.555 3.246 17.304) 18.462 11.124 ( 0.986 -3.054 4.344) 5.401 11.124 ( 0.986 3.054 4.344) 5.401 11.348 ( 4.217 -2.529 4.785) 6.861 11.348 ( 4.217 2.529 4.785) 6.861 11.941 ( -0.362 -4.510 1.376) 4.729 11.941 ( -0.362 4.510 1.376) 4.729 12.405 ( -5.633 -5.005 -2.608) 7.974 12.405 ( -5.633 5.005 -2.608) 7.974 12.838 ( -0.835 -3.177 -3.842) 5.055 12.838 ( -0.835 3.177 -3.842) 5.055 13.195 ( 6.309 -6.192 -0.206) 8.842 13.195 ( 6.309 6.192 -0.206) 8.842 13.692 ( -2.367 -6.244 -3.135) 7.377 13.692 ( -2.367 6.244 -3.135) 7.377 13.915 ( -3.209 -1.363 -10.790) 11.339 13.915 ( -3.209 1.363 -10.790) 11.339 14.181 ( 4.046 -3.387 -3.128) 6.134 14.181 ( 4.046 3.387 -3.128) 6.134 14.669 ( 2.717 -8.031 5.825) 10.286 14.669 ( 2.717 8.031 5.825) 10.286 15.411 ( 1.676 -7.657 10.526) 13.124 15.411 ( 1.676 7.657 10.526) 13.124 15.911 ( -1.990 -3.849 5.222) 6.785 15.911 ( -1.990 3.849 5.222) 6.785 16.208 ( 1.401 -7.493 -1.387) 7.748 16.208 ( 1.401 7.493 -1.387) 7.748 17.269 ( -13.533 -5.672 20.069) 24.861 17.269 ( -13.533 5.672 20.069) 24.861 18.244 ( -6.511 -6.723 -7.506) 11.998 18.244 ( -6.511 6.723 -7.506) 11.998 18.655 ( -9.881 -2.917 6.103) 11.975 18.655 ( -9.881 2.917 6.103) 11.975 19.210 ( -7.933 -4.047 -6.032) 10.756 19.210 ( -7.933 4.047 -6.032) 10.756 19.525 ( -11.261 -14.444 4.724) 18.915 19.525 ( -11.261 14.444 4.724) 18.915 21.756 ( 37.251 -15.081 26.981) 48.405 21.756 ( 37.251 15.081 26.981) 48.405 24.841 ( -4.233 -4.033 -7.851) 9.789 24.841 ( -4.233 4.033 -7.851) 9.789 27.073 ( -6.272 -15.753 -0.950) 16.982 27.073 ( -6.272 15.753 -0.950) 16.982 29.028 ( -3.782 -3.970 -0.901) 5.556 29.028 ( -3.782 3.970 -0.901) 5.556 ======================= Grid point 67 (36/96) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( 8.583 -14.820 8.213) 18.993 1.579 ( 8.583 14.820 8.213) 18.993 1.749 ( 13.074 -10.929 15.911) 23.313 1.749 ( 13.074 10.929 15.911) 23.313 2.372 ( -1.051 -2.146 12.294) 12.524 2.372 ( -1.051 2.146 12.294) 12.524 2.714 ( 3.536 -2.271 15.180) 15.751 2.714 ( 3.536 2.271 15.180) 15.751 2.894 ( -2.451 -2.504 -1.564) 3.837 2.894 ( -2.451 2.504 -1.564) 3.837 3.088 ( 1.978 -7.252 6.994) 10.267 3.088 ( 1.978 7.252 6.994) 10.267 3.256 ( 0.794 -9.320 1.525) 9.477 3.256 ( 0.794 9.320 1.525) 9.477 3.436 ( -0.885 -12.180 2.307) 12.428 3.436 ( -0.885 12.180 2.307) 12.428 3.659 ( 6.270 -9.472 7.015) 13.350 3.659 ( 6.270 9.472 7.015) 13.350 3.824 ( -8.258 -4.537 9.333) 13.262 3.824 ( -8.258 4.537 9.333) 13.262 4.155 ( -5.737 -5.972 3.710) 9.074 4.155 ( -5.737 5.972 3.710) 9.074 4.599 ( -8.241 -7.556 -1.672) 11.305 4.599 ( -8.241 7.556 -1.672) 11.305 5.191 ( 1.555 -1.209 -0.569) 2.051 5.191 ( 1.555 1.209 -0.569) 2.051 5.381 ( 1.905 -4.533 1.412) 5.116 5.381 ( 1.905 4.533 1.412) 5.116 5.636 ( 0.018 -2.213 -4.310) 4.845 5.636 ( 0.018 2.213 -4.310) 4.845 5.841 ( 1.495 -3.116 -1.417) 3.735 5.841 ( 1.495 3.116 -1.417) 3.735 6.074 ( 2.261 -2.364 -0.922) 3.399 6.074 ( 2.261 2.364 -0.922) 3.399 6.221 ( 2.231 -4.951 -1.628) 5.669 6.221 ( 2.231 4.951 -1.628) 5.669 6.764 ( 1.567 -6.288 -0.967) 6.552 6.764 ( 1.567 6.288 -0.967) 6.552 7.089 ( -2.666 -3.208 -3.822) 5.657 7.089 ( -2.666 3.208 -3.822) 5.657 7.330 ( 1.421 -7.207 0.096) 7.347 7.330 ( 1.421 7.207 0.096) 7.347 7.711 ( -0.729 -5.488 8.433) 10.088 7.711 ( -0.729 5.488 8.433) 10.088 8.230 ( -4.654 -6.994 8.887) 12.229 8.230 ( -4.654 6.994 8.887) 12.229 8.625 ( -6.080 -2.717 -5.591) 8.696 8.625 ( -6.080 2.717 -5.591) 8.696 8.896 ( -2.610 -3.942 1.183) 4.874 8.896 ( -2.610 3.942 1.183) 4.874 9.212 ( -2.749 -4.884 -7.596) 9.440 9.212 ( -2.749 4.884 -7.596) 9.440 9.525 ( -2.670 -1.535 0.241) 3.089 9.525 ( -2.670 1.535 0.241) 3.089 9.853 ( 2.032 -6.786 -1.682) 7.281 9.853 ( 2.032 6.786 -1.682) 7.281 10.078 ( -0.975 -3.625 -10.056) 10.734 10.078 ( -0.975 3.625 -10.056) 10.734 10.245 ( 3.803 -3.585 1.899) 5.560 10.245 ( 3.803 3.585 1.899) 5.560 10.604 ( -1.831 -5.660 9.917) 11.564 10.604 ( -1.831 5.660 9.917) 11.564 10.937 ( 1.660 -2.391 16.069) 16.331 10.937 ( 1.660 2.391 16.069) 16.331 11.101 ( -3.640 -3.213 4.874) 6.880 11.101 ( -3.640 3.213 4.874) 6.880 11.506 ( 8.554 -1.840 1.304) 8.847 11.506 ( 8.554 1.840 1.304) 8.847 11.909 ( -1.173 -8.459 0.361) 8.547 11.909 ( -1.173 8.459 0.361) 8.547 12.342 ( -0.322 -10.293 -1.827) 10.459 12.342 ( -0.322 10.293 -1.827) 10.459 12.825 ( -1.359 -2.234 -5.778) 6.342 12.825 ( -1.359 2.234 -5.778) 6.342 13.253 ( 0.026 -6.069 0.468) 6.087 13.253 ( 0.026 6.069 0.468) 6.087 13.630 ( -3.223 -3.675 -3.541) 6.036 13.630 ( -3.223 3.675 -3.541) 6.036 13.884 ( 0.488 -6.238 -7.210) 9.546 13.884 ( 0.488 6.238 -7.210) 9.546 14.307 ( 7.434 -4.062 -5.338) 10.014 14.307 ( 7.434 4.062 -5.338) 10.014 14.744 ( 4.669 -6.033 5.848) 9.612 14.744 ( 4.669 6.033 5.848) 9.612 15.446 ( 1.726 -6.696 13.972) 15.589 15.446 ( 1.726 6.696 13.972) 15.589 15.856 ( -3.461 -6.833 3.831) 8.564 15.856 ( -3.461 6.833 3.831) 8.564 16.264 ( 3.746 -6.638 1.189) 7.714 16.264 ( 3.746 6.638 1.189) 7.714 16.950 ( -15.071 -6.263 20.756) 26.404 16.950 ( -15.071 6.263 20.756) 26.404 18.089 ( -6.795 -10.906 0.429) 12.856 18.089 ( -6.795 10.906 0.429) 12.856 18.505 ( -5.199 -3.928 3.556) 7.423 18.505 ( -5.199 3.928 3.556) 7.423 18.945 ( -14.649 -6.358 -2.922) 16.234 18.945 ( -14.649 6.358 -2.922) 16.234 19.515 ( 3.660 -10.691 -2.531) 11.580 19.515 ( 3.660 10.691 -2.531) 11.580 22.374 ( 23.444 -12.231 15.457) 30.629 22.374 ( 23.444 12.231 15.457) 30.629 24.727 ( -6.464 -4.377 -7.169) 10.598 24.727 ( -6.464 4.377 -7.169) 10.598 26.932 ( -6.645 -13.689 -0.391) 15.222 26.932 ( -6.645 13.689 -0.391) 15.222 28.959 ( -2.701 -5.458 0.436) 6.105 28.959 ( -2.701 5.458 0.436) 6.105 ======================= Grid point 69 (37/96) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 12.180 -5.695 4.396) 14.145 1.804 ( 12.180 5.695 4.396) 14.145 1.994 ( 9.747 -5.734 12.222) 16.651 1.994 ( 9.747 5.734 12.222) 16.651 2.337 ( -1.843 -1.321 9.813) 10.071 2.337 ( -1.843 1.321 9.813) 10.071 2.677 ( -4.084 -1.761 19.835) 20.327 2.677 ( -4.084 1.761 19.835) 20.327 2.903 ( 1.046 -2.988 -0.980) 3.314 2.903 ( 1.046 2.988 -0.980) 3.314 3.048 ( -2.673 -6.801 2.804) 7.827 3.048 ( -2.673 6.801 2.804) 7.827 3.289 ( 0.380 -4.634 6.467) 7.965 3.289 ( 0.380 4.634 6.467) 7.965 3.438 ( 0.431 -8.230 0.411) 8.252 3.438 ( 0.431 8.230 0.411) 8.252 3.592 ( -6.093 -9.759 5.069) 12.572 3.592 ( -6.093 9.759 5.069) 12.572 3.829 ( -2.936 -7.078 8.470) 11.422 3.829 ( -2.936 7.078 8.470) 11.422 4.214 ( 14.374 -9.232 3.558) 17.450 4.214 ( 14.374 9.232 3.558) 17.450 4.429 ( -6.701 -12.374 -0.248) 14.075 4.429 ( -6.701 12.374 -0.248) 14.075 5.146 ( -5.551 -2.867 2.731) 6.818 5.146 ( -5.551 2.867 2.731) 6.818 5.458 ( 5.707 -5.719 -0.563) 8.099 5.458 ( 5.707 5.719 -0.563) 8.099 5.615 ( -2.351 -4.850 -6.822) 8.695 5.615 ( -2.351 4.850 -6.822) 8.695 5.896 ( 3.232 -3.921 0.418) 5.099 5.896 ( 3.232 3.921 0.418) 5.099 6.086 ( -1.136 -3.964 -0.547) 4.159 6.086 ( -1.136 3.964 -0.547) 4.159 6.239 ( -0.282 -5.309 -1.547) 5.537 6.239 ( -0.282 5.309 -1.547) 5.537 6.806 ( 2.316 -7.445 -1.637) 7.966 6.806 ( 2.316 7.445 -1.637) 7.966 7.051 ( -0.603 -4.795 -5.983) 7.691 7.051 ( -0.603 4.795 -5.983) 7.691 7.379 ( 2.712 -7.074 4.396) 8.759 7.379 ( 2.712 7.074 4.396) 8.759 7.681 ( -2.488 -4.788 9.365) 10.808 7.681 ( -2.488 4.788 9.365) 10.808 8.100 ( -6.559 -8.547 11.384) 15.674 8.100 ( -6.559 8.547 11.384) 15.674 8.505 ( -4.892 -3.260 -5.024) 7.733 8.505 ( -4.892 3.260 -5.024) 7.733 8.852 ( -2.145 -2.977 1.147) 3.844 8.852 ( -2.145 2.977 1.147) 3.844 9.194 ( 1.017 -5.460 -3.746) 6.700 9.194 ( 1.017 5.460 -3.746) 6.700 9.500 ( -0.203 -4.030 -2.180) 4.586 9.500 ( -0.203 4.030 -2.180) 4.586 9.876 ( -0.273 -5.110 -9.603) 10.881 9.876 ( -0.273 5.110 -9.603) 10.881 10.058 ( -0.470 -3.413 0.229) 3.453 10.058 ( -0.470 3.413 0.229) 3.453 10.337 ( 4.107 -5.430 -0.454) 6.823 10.337 ( 4.107 5.430 -0.454) 6.823 10.582 ( -0.100 -4.063 7.418) 8.458 10.582 ( -0.100 4.063 7.418) 8.458 10.927 ( -3.283 -3.545 9.311) 10.490 10.927 ( -3.283 3.545 9.311) 10.490 11.022 ( -2.294 -2.915 10.174) 10.829 11.022 ( -2.294 2.915 10.174) 10.829 11.598 ( 0.655 -4.877 2.348) 5.452 11.598 ( 0.655 4.877 2.348) 5.452 11.963 ( 5.857 -7.697 -2.136) 9.905 11.963 ( 5.857 7.697 -2.136) 9.905 12.356 ( 0.710 -10.931 -2.241) 11.181 12.356 ( 0.710 10.931 -2.241) 11.181 12.770 ( -3.233 -0.903 -5.965) 6.845 12.770 ( -3.233 0.903 -5.965) 6.845 13.266 ( 1.809 -4.159 0.565) 4.571 13.266 ( 1.809 4.159 0.565) 4.571 13.559 ( -3.631 -1.246 -4.432) 5.863 13.559 ( -3.631 1.246 -4.432) 5.863 13.916 ( 2.002 -7.577 -4.243) 8.912 13.916 ( 2.002 7.577 -4.243) 8.912 14.447 ( 5.637 -6.510 -5.931) 10.457 14.447 ( 5.637 6.510 -5.931) 10.457 14.856 ( 5.945 -6.808 5.677) 10.673 14.856 ( 5.945 6.808 5.677) 10.673 15.475 ( 0.456 -5.975 15.954) 17.042 15.475 ( 0.456 5.975 15.954) 17.042 15.781 ( -3.159 -9.436 6.815) 12.061 15.781 ( -3.159 9.436 6.815) 12.061 16.346 ( 4.017 -3.040 5.389) 7.377 16.346 ( 4.017 3.040 5.389) 7.377 16.722 ( -7.275 -4.115 15.977) 18.031 16.722 ( -7.275 4.115 15.977) 18.031 17.992 ( -2.833 -10.603 2.038) 11.162 17.992 ( -2.833 10.603 2.038) 11.162 18.403 ( -5.616 -7.469 -0.352) 9.351 18.403 ( -5.616 7.469 -0.352) 9.351 18.663 ( -11.759 -4.545 -0.845) 12.635 18.663 ( -11.759 4.545 -0.845) 12.635 19.595 ( 3.833 -9.187 -3.087) 10.422 19.595 ( 3.833 9.187 -3.087) 10.422 22.732 ( 12.238 -7.072 10.344) 17.515 22.732 ( 12.238 7.072 10.344) 17.515 24.600 ( -5.403 -3.735 -6.393) 9.166 24.600 ( -5.403 3.735 -6.393) 9.166 26.825 ( -3.728 -11.069 -0.634) 11.697 26.825 ( -3.728 11.069 -0.634) 11.697 28.918 ( -1.401 -4.776 1.261) 5.134 28.918 ( -1.401 4.776 1.261) 5.134 ======================= Grid point 71 (38/96) ======================= q-point: ( 0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( 4.955 -2.343 2.563) 6.051 1.994 ( 4.955 2.343 2.563) 6.051 2.157 ( 7.293 -5.037 8.877) 12.545 2.157 ( 7.293 5.037 8.877) 12.545 2.315 ( -0.980 -1.137 10.570) 10.676 2.315 ( -0.980 1.137 10.570) 10.676 2.606 ( -3.007 -1.885 23.101) 23.372 2.606 ( -3.007 1.885 23.101) 23.372 2.862 ( -2.657 -2.061 0.760) 3.447 2.862 ( -2.657 2.061 0.760) 3.447 3.075 ( 2.480 -7.143 2.164) 7.865 3.075 ( 2.480 7.143 2.164) 7.865 3.262 ( -1.803 -1.097 7.148) 7.453 3.262 ( -1.803 1.097 7.148) 7.453 3.363 ( -2.040 -3.847 0.636) 4.401 3.363 ( -2.040 3.847 0.636) 4.401 3.546 ( -4.846 -3.731 5.303) 8.095 3.546 ( -4.846 3.731 5.303) 8.095 3.857 ( 9.418 -17.617 3.756) 20.327 3.857 ( 9.418 17.617 3.756) 20.327 4.172 ( -10.236 -17.756 1.145) 20.527 4.172 ( -10.236 17.756 1.145) 20.527 4.637 ( 14.215 -7.222 5.215) 16.776 4.637 ( 14.215 7.222 5.215) 16.776 5.021 ( -5.439 -1.314 4.311) 7.063 5.021 ( -5.439 1.314 4.311) 7.063 5.500 ( -2.677 -1.943 -7.698) 8.378 5.500 ( -2.677 1.943 -7.698) 8.378 5.631 ( 4.964 -5.757 -1.744) 7.799 5.631 ( 4.964 5.757 -1.744) 7.799 5.898 ( -3.712 -4.660 0.663) 5.995 5.898 ( -3.712 4.660 0.663) 5.995 6.078 ( 1.305 -2.741 -0.598) 3.094 6.078 ( 1.305 2.741 -0.598) 3.094 6.222 ( -1.067 -3.541 -1.757) 4.094 6.222 ( -1.067 3.541 -1.757) 4.094 6.841 ( 0.787 -6.603 -2.409) 7.073 6.841 ( 0.787 6.603 -2.409) 7.073 7.068 ( 1.986 -4.916 -6.340) 8.265 7.068 ( 1.986 4.916 -6.340) 8.265 7.416 ( 0.419 -6.939 10.068) 12.235 7.416 ( 0.419 6.939 10.068) 12.235 7.620 ( -2.377 -4.040 6.269) 7.828 7.620 ( -2.377 4.040 6.269) 7.828 8.028 ( -0.316 -4.982 13.707) 14.587 8.028 ( -0.316 4.982 13.707) 14.587 8.431 ( -2.242 -4.482 -5.838) 7.693 8.431 ( -2.242 4.482 -5.838) 7.693 8.811 ( -1.676 -0.848 0.363) 1.913 8.811 ( -1.676 0.848 0.363) 1.913 9.232 ( 2.159 -4.632 -1.193) 5.248 9.232 ( 2.159 4.632 -1.193) 5.248 9.506 ( 0.690 -6.523 -2.583) 7.049 9.506 ( 0.690 6.523 -2.583) 7.049 9.848 ( -1.830 -3.723 -12.899) 13.550 9.848 ( -1.830 3.723 -12.899) 13.550 10.056 ( -0.011 -2.428 4.391) 5.018 10.056 ( -0.011 2.428 4.391) 5.018 10.390 ( 1.107 -5.099 0.231) 5.223 10.390 ( 1.107 5.099 0.231) 5.223 10.591 ( 0.245 -5.070 3.944) 6.428 10.591 ( 0.245 5.070 3.944) 6.428 10.854 ( -2.095 -2.452 6.830) 7.554 10.854 ( -2.095 2.452 6.830) 7.554 11.008 ( -0.110 -3.246 12.716) 13.124 11.008 ( -0.110 3.246 12.716) 13.124 11.587 ( -0.949 -7.702 2.304) 8.095 11.587 ( -0.949 7.702 2.304) 8.095 12.076 ( 4.212 -3.244 -1.487) 5.520 12.076 ( 4.212 3.244 -1.487) 5.520 12.348 ( -1.454 -6.656 -4.427) 8.125 12.348 ( -1.454 6.656 -4.427) 8.125 12.732 ( -0.119 -2.390 -4.943) 5.492 12.732 ( -0.119 2.390 -4.943) 5.492 13.299 ( 0.435 -4.880 -0.043) 4.900 13.299 ( 0.435 4.880 -0.043) 4.900 13.504 ( -1.173 -1.269 -3.792) 4.167 13.504 ( -1.173 1.269 -3.792) 4.167 13.953 ( 1.579 -3.953 -3.784) 5.696 13.953 ( 1.579 3.953 -3.784) 5.696 14.522 ( 1.620 -6.902 -5.776) 9.145 14.522 ( 1.620 6.902 -5.776) 9.145 14.962 ( 3.600 -5.867 5.253) 8.659 14.962 ( 3.600 5.867 5.253) 8.659 15.441 ( -3.522 -1.716 13.269) 13.835 15.441 ( -3.522 1.716 13.269) 13.835 15.773 ( 2.681 -4.915 14.175) 15.241 15.773 ( 2.681 4.915 14.175) 15.241 16.412 ( 1.956 -1.841 11.106) 11.427 16.412 ( 1.956 1.841 11.106) 11.427 16.641 ( -1.019 -3.991 10.417) 11.201 16.641 ( -1.019 3.991 10.417) 11.201 17.956 ( -1.641 -10.513 -0.491) 10.651 17.956 ( -1.641 10.513 -0.491) 10.651 18.275 ( -4.958 -9.708 -1.837) 11.054 18.275 ( -4.958 9.708 -1.837) 11.054 18.520 ( -2.383 -1.538 1.259) 3.103 18.520 ( -2.383 1.538 1.259) 3.103 19.664 ( 2.903 -8.126 -1.816) 8.818 19.664 ( 2.903 8.126 -1.816) 8.818 22.882 ( 2.431 -3.713 7.625) 8.822 22.882 ( 2.431 3.713 7.625) 8.822 24.528 ( -1.324 -1.926 -5.267) 5.762 24.528 ( -1.324 1.926 -5.267) 5.762 26.780 ( -0.784 -9.546 -0.839) 9.615 26.780 ( -0.784 9.546 -0.839) 9.615 28.901 ( -0.294 -3.380 1.696) 3.793 28.901 ( -0.294 3.380 1.696) 3.793 ======================= Grid point 73 (39/96) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -2.014 -4.566 5.386) 7.342 2.028 ( -2.014 4.566 5.386) 7.342 2.190 ( -6.323 -1.461 7.772) 10.125 2.190 ( -6.323 1.461 7.772) 10.125 2.320 ( 3.424 -2.827 7.785) 8.963 2.320 ( 3.424 2.827 7.785) 8.963 2.586 ( 1.778 -1.105 23.847) 23.939 2.586 ( 1.778 1.105 23.847) 23.939 2.848 ( 1.098 -3.072 1.798) 3.725 2.848 ( 1.098 3.072 1.798) 3.725 3.125 ( 2.604 -2.714 0.211) 3.767 3.125 ( 2.604 2.714 0.211) 3.767 3.222 ( -0.744 -1.051 7.247) 7.360 3.222 ( -0.744 1.051 7.247) 7.360 3.335 ( -2.579 -2.064 3.925) 5.130 3.335 ( -2.579 2.064 3.925) 5.130 3.554 ( 5.724 -3.788 3.515) 7.711 3.554 ( 5.724 3.788 3.515) 7.711 3.897 ( -7.091 -14.366 5.105) 16.814 3.897 ( -7.091 14.366 5.105) 16.814 4.165 ( 10.801 -17.419 1.311) 20.538 4.165 ( 10.801 17.419 1.311) 20.538 4.649 ( -12.811 -4.733 5.628) 14.772 4.649 ( -12.811 4.733 5.628) 14.772 5.034 ( 6.240 -1.317 4.884) 8.033 5.034 ( 6.240 1.317 4.884) 8.033 5.479 ( 0.662 -2.890 -7.501) 8.065 5.479 ( 0.662 2.890 -7.501) 8.065 5.658 ( -3.489 -3.930 -2.638) 5.880 5.658 ( -3.489 3.930 -2.638) 5.880 5.860 ( 2.126 -3.253 -0.334) 3.901 5.860 ( 2.126 3.253 -0.334) 3.901 6.087 ( -1.317 -1.479 0.609) 2.072 6.087 ( -1.317 1.479 0.609) 2.072 6.213 ( 0.530 -4.921 -2.175) 5.407 6.213 ( 0.530 4.921 -2.175) 5.407 6.835 ( -1.057 -7.380 -2.899) 7.999 6.835 ( -1.057 7.380 -2.899) 7.999 7.112 ( 1.955 -5.735 -6.418) 8.826 7.112 ( 1.955 5.735 -6.418) 8.826 7.398 ( -1.549 -4.201 11.508) 12.349 7.398 ( -1.549 4.201 11.508) 12.349 7.619 ( 1.767 -4.268 5.416) 7.119 7.619 ( 1.767 4.268 5.416) 7.119 8.064 ( 3.431 -6.198 14.646) 16.269 8.064 ( 3.431 6.198 14.646) 16.269 8.423 ( 1.513 -7.440 -5.553) 9.406 8.423 ( 1.513 7.440 -5.553) 9.406 8.789 ( -0.322 -2.638 -0.291) 2.674 8.789 ( -0.322 2.638 -0.291) 2.674 9.266 ( 0.865 -4.279 -0.162) 4.369 9.266 ( 0.865 4.279 -0.162) 4.369 9.521 ( 0.713 -6.227 -2.839) 6.881 9.521 ( 0.713 6.227 -2.839) 6.881 9.817 ( -0.957 -3.102 -9.771) 10.296 9.817 ( -0.957 3.102 -9.771) 10.296 10.054 ( -0.100 -2.840 0.906) 2.983 10.054 ( -0.100 2.840 0.906) 2.983 10.386 ( -1.408 -3.781 -0.653) 4.087 10.386 ( -1.408 3.781 -0.653) 4.087 10.581 ( -0.693 -3.704 3.924) 5.440 10.581 ( -0.693 3.704 3.924) 5.440 10.858 ( 1.388 -2.769 8.903) 9.426 10.858 ( 1.388 2.769 8.903) 9.426 11.010 ( 0.740 -4.590 10.591) 11.566 11.010 ( 0.740 4.590 10.591) 11.566 11.573 ( -0.350 -7.812 1.950) 8.059 11.573 ( -0.350 7.812 1.950) 8.059 12.114 ( -0.815 -4.272 0.561) 4.385 12.114 ( -0.815 4.272 0.561) 4.385 12.313 ( -1.354 -2.130 -5.737) 6.267 12.313 ( -1.354 2.130 -5.737) 6.267 12.759 ( 2.636 -3.893 -4.088) 6.231 12.759 ( 2.636 3.893 -4.088) 6.231 13.277 ( -1.901 -4.911 -1.237) 5.410 13.277 ( -1.901 4.911 -1.237) 5.410 13.504 ( 0.351 -0.927 -3.180) 3.331 13.504 ( 0.351 0.927 -3.180) 3.331 13.980 ( 1.147 -2.251 -3.278) 4.139 13.980 ( 1.147 2.251 -3.278) 4.139 14.512 ( -2.478 -5.552 -5.684) 8.323 14.512 ( -2.478 5.552 -5.684) 8.323 14.973 ( -2.731 -3.967 4.477) 6.576 14.973 ( -2.731 3.967 4.477) 6.576 15.383 ( -1.389 -6.645 11.023) 12.946 15.383 ( -1.389 6.645 11.023) 12.946 15.862 ( 5.098 -6.633 18.680) 20.468 15.862 ( 5.098 6.633 18.680) 20.468 16.419 ( -0.955 -4.262 11.864) 12.643 16.419 ( -0.955 4.262 11.864) 12.643 16.666 ( 2.913 -3.416 10.532) 11.448 16.666 ( 2.913 3.416 10.532) 11.448 17.909 ( -1.851 -10.497 -2.249) 10.894 17.909 ( -1.851 10.497 -2.249) 10.894 18.270 ( 3.448 -7.905 -1.586) 8.768 18.270 ( 3.448 7.905 -1.586) 8.768 18.544 ( 4.820 -2.185 1.502) 5.501 18.544 ( 4.820 2.185 1.502) 5.501 19.712 ( 1.856 -7.355 0.434) 7.598 19.712 ( 1.856 7.355 0.434) 7.598 22.832 ( -7.293 -2.227 5.396) 9.341 22.832 ( -7.293 2.227 5.396) 9.341 24.549 ( 3.204 -1.543 -4.122) 5.444 24.549 ( 3.204 1.543 -4.122) 5.444 26.790 ( 1.707 -9.403 -0.504) 9.570 26.790 ( 1.707 9.403 -0.504) 9.570 28.907 ( 0.896 -1.649 1.945) 2.703 28.907 ( 0.896 1.649 1.945) 2.703 ======================= Grid point 75 (40/96) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -12.554 -3.451 7.179) 14.868 1.858 ( -12.554 3.451 7.179) 14.868 2.056 ( -7.486 -0.675 13.493) 15.446 2.056 ( -7.486 0.675 13.493) 15.446 2.384 ( 2.323 -1.899 5.224) 6.024 2.384 ( 2.323 1.899 5.224) 6.024 2.669 ( 5.259 -0.348 22.822) 23.423 2.669 ( 5.259 0.348 22.822) 23.423 2.890 ( 3.061 -3.061 -2.272) 4.889 2.890 ( 3.061 3.061 -2.272) 4.889 3.130 ( -0.194 -4.233 6.769) 7.986 3.130 ( -0.194 4.233 6.769) 7.986 3.255 ( -0.927 -5.949 3.997) 7.226 3.255 ( -0.927 5.949 3.997) 7.226 3.314 ( 1.345 -5.027 2.258) 5.672 3.314 ( 1.345 5.027 2.258) 5.672 3.643 ( 5.429 -10.656 3.252) 12.393 3.643 ( 5.429 10.656 3.252) 12.393 3.865 ( 0.971 -3.332 9.043) 9.686 3.865 ( 0.971 3.332 9.043) 9.686 4.209 ( -12.886 -5.638 4.619) 14.804 4.209 ( -12.886 5.638 4.619) 14.804 4.468 ( 5.605 -13.911 1.672) 15.091 4.468 ( 5.605 13.911 1.672) 15.091 5.172 ( 6.467 -3.331 3.511) 8.078 5.172 ( 6.467 3.331 3.511) 8.078 5.420 ( -6.369 -5.780 -2.743) 9.028 5.420 ( -6.369 5.780 -2.743) 9.028 5.626 ( 0.977 -2.196 -5.985) 6.449 5.626 ( 0.977 2.196 -5.985) 6.449 5.894 ( -0.710 -1.963 -1.278) 2.447 5.894 ( -0.710 1.963 -1.278) 2.447 6.052 ( -1.067 -1.930 1.386) 2.604 6.052 ( -1.067 1.930 1.386) 2.604 6.227 ( 0.282 -6.455 -2.353) 6.876 6.227 ( 0.282 6.455 -2.353) 6.876 6.811 ( -1.211 -8.857 -2.611) 9.313 6.811 ( -1.211 8.857 -2.611) 9.313 7.142 ( 1.219 -7.136 -6.254) 9.567 7.142 ( 1.219 7.136 -6.254) 9.567 7.367 ( -1.693 -4.640 8.113) 9.498 7.367 ( -1.693 4.640 8.113) 9.498 7.660 ( 1.837 -4.547 7.605) 9.049 7.660 ( 1.837 4.547 7.605) 9.049 8.165 ( 5.920 -7.672 11.848) 15.306 8.165 ( 5.920 7.672 11.848) 15.306 8.484 ( 4.303 -10.086 -3.702) 11.574 8.484 ( 4.303 10.086 -3.702) 11.574 8.809 ( 2.623 -4.598 -0.215) 5.298 8.809 ( 2.623 4.598 -0.215) 5.298 9.262 ( -1.160 -5.934 -1.271) 6.179 9.262 ( -1.160 5.934 -1.271) 6.179 9.535 ( 0.638 -2.751 -2.081) 3.508 9.535 ( 0.638 2.751 -2.081) 3.508 9.809 ( -0.056 -2.391 -5.231) 5.752 9.809 ( -0.056 2.391 -5.231) 5.752 10.052 ( -0.174 -3.738 -4.750) 6.047 10.052 ( -0.174 3.738 -4.750) 6.047 10.341 ( -2.439 -4.232 -2.205) 5.358 10.341 ( -2.439 4.232 -2.205) 5.358 10.580 ( 0.474 -2.549 6.474) 6.974 10.580 ( 0.474 2.549 6.474) 6.974 10.854 ( -2.151 -5.419 11.082) 12.521 10.854 ( -2.151 5.419 11.082) 12.521 11.065 ( 4.465 -6.240 6.927) 10.337 11.065 ( 4.465 6.240 6.927) 10.337 11.571 ( -0.038 -5.273 2.064) 5.663 11.571 ( -0.038 5.273 2.064) 5.663 12.047 ( -5.122 -8.285 2.037) 9.951 12.047 ( -5.122 8.285 2.037) 9.951 12.299 ( -0.108 -4.274 -4.125) 5.941 12.299 ( -0.108 4.274 -4.125) 5.941 12.831 ( 4.085 -3.877 -3.910) 6.856 12.831 ( 4.085 3.877 -3.910) 6.856 13.242 ( -1.489 -3.137 0.161) 3.476 13.242 ( -1.489 3.137 0.161) 3.476 13.508 ( 0.638 -0.586 -6.069) 6.131 13.508 ( 0.638 0.586 -6.069) 6.131 13.993 ( 0.000 -6.395 -2.696) 6.940 13.993 ( 0.000 6.395 -2.696) 6.940 14.428 ( -5.483 -4.606 -5.127) 8.807 14.428 ( -5.483 4.606 -5.127) 8.807 14.879 ( -5.554 -7.042 4.867) 10.204 14.879 ( -5.554 7.042 4.867) 10.204 15.377 ( 0.190 -9.034 8.034) 12.091 15.377 ( 0.190 9.034 8.034) 12.091 15.953 ( 3.132 -12.565 18.704) 22.749 15.953 ( 3.132 12.565 18.704) 22.749 16.390 ( -1.841 -5.319 7.073) 9.039 16.390 ( -1.841 5.319 7.073) 9.039 16.763 ( 7.268 -3.733 16.245) 18.184 16.763 ( 7.268 3.733 16.245) 18.184 17.926 ( 3.801 -9.500 -0.120) 10.233 17.926 ( 3.801 9.500 -0.120) 10.233 18.346 ( 3.308 -3.749 -1.805) 5.315 18.346 ( 3.308 3.749 -1.805) 5.315 18.720 ( 11.971 -6.335 -0.038) 13.544 18.720 ( 11.971 6.335 -0.038) 13.544 19.745 ( 1.723 -6.803 3.914) 8.035 19.745 ( 1.723 6.803 3.914) 8.035 22.586 ( -17.029 -5.688 4.207) 18.440 22.586 ( -17.029 5.688 4.207) 18.440 24.642 ( 5.445 -3.134 -4.166) 7.538 24.642 ( 5.445 3.134 -4.166) 7.538 26.848 ( 4.009 -10.391 0.207) 11.139 26.848 ( 4.009 10.391 0.207) 11.139 28.938 ( 2.107 -1.728 2.047) 3.408 28.938 ( 2.107 1.728 2.047) 3.408 ======================= Grid point 77 (41/96) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( -9.147 -11.352 10.166) 17.773 1.624 ( -9.147 11.352 10.166) 17.774 1.849 ( -12.121 -4.905 18.229) 22.434 1.849 ( -12.121 4.905 18.229) 22.434 2.401 ( -0.783 -3.094 8.181) 8.781 2.401 ( -0.783 3.094 8.181) 8.781 2.728 ( -1.473 -1.614 17.992) 18.125 2.728 ( -1.473 1.614 17.992) 18.125 2.958 ( 1.716 -6.468 -1.898) 6.956 2.958 ( 1.716 6.468 -1.898) 6.956 3.139 ( 0.599 -7.409 12.185) 14.273 3.139 ( 0.599 7.409 12.185) 14.273 3.200 ( -1.087 -8.377 -0.431) 8.458 3.200 ( -1.087 8.377 -0.431) 8.458 3.378 ( 2.795 -9.424 2.390) 10.116 3.378 ( 2.795 9.424 2.390) 10.116 3.638 ( -10.878 -10.522 7.289) 16.798 3.638 ( -10.878 10.522 7.289) 16.798 3.858 ( 9.746 -6.520 7.284) 13.804 3.858 ( 9.746 6.520 7.284) 13.804 4.160 ( 5.491 -9.287 5.806) 12.252 4.160 ( 5.491 9.287 5.806) 12.252 4.608 ( 5.923 -10.458 -1.109) 12.070 4.608 ( 5.923 10.458 -1.109) 12.070 5.220 ( -3.294 -2.487 -0.655) 4.179 5.220 ( -3.294 2.487 -0.655) 4.179 5.339 ( -0.264 -2.636 -0.095) 2.651 5.339 ( -0.264 2.636 -0.095) 2.651 5.650 ( 1.513 -1.131 -3.100) 3.630 5.650 ( 1.513 1.131 -3.100) 3.630 5.842 ( -3.323 -3.356 -2.505) 5.346 5.842 ( -3.323 3.356 -2.505) 5.346 6.039 ( -0.756 -2.470 0.730) 2.685 6.039 ( -0.756 2.470 0.730) 2.685 6.211 ( -1.998 -4.831 -2.235) 5.686 6.211 ( -1.998 4.831 -2.235) 5.686 6.784 ( -1.453 -8.073 -2.097) 8.466 6.784 ( -1.453 8.073 -2.097) 8.466 7.170 ( 1.493 -6.589 -4.525) 8.131 7.170 ( 1.493 6.589 -4.525) 8.131 7.333 ( -1.179 -4.822 3.947) 6.342 7.333 ( -1.179 4.822 3.947) 6.342 7.692 ( 1.248 -4.242 7.758) 8.930 7.692 ( 1.248 4.242 7.758) 8.930 8.261 ( 2.610 -4.697 7.375) 9.125 8.261 ( 2.610 4.697 7.375) 9.125 8.589 ( 5.427 -7.874 -4.860) 10.727 8.589 ( 5.427 7.874 -4.860) 10.727 8.909 ( 7.256 -5.289 1.197) 9.059 8.909 ( 7.256 5.289 1.197) 9.059 9.234 ( -0.916 -8.263 -3.050) 8.856 9.234 ( -0.916 8.263 -3.050) 8.856 9.542 ( -0.036 -1.858 -0.226) 1.872 9.542 ( -0.036 1.858 -0.226) 1.872 9.798 ( -1.270 -1.442 -3.786) 4.245 9.798 ( -1.270 1.442 -3.786) 4.245 10.054 ( 0.784 -2.854 -6.282) 6.944 10.054 ( 0.784 2.854 -6.282) 6.944 10.310 ( -0.445 -2.959 -3.730) 4.782 10.310 ( -0.445 2.959 -3.730) 4.782 10.588 ( 0.066 -3.012 8.040) 8.586 10.588 ( 0.066 3.012 8.040) 8.586 10.796 ( -3.049 -4.461 12.025) 13.183 10.796 ( -3.049 4.461 12.025) 13.183 11.153 ( 3.310 -6.447 6.755) 9.907 11.153 ( 3.310 6.447 6.755) 9.907 11.555 ( -2.365 -2.567 2.409) 4.240 11.555 ( -2.365 2.567 2.409) 4.240 11.941 ( -4.292 -7.940 4.011) 9.877 11.941 ( -4.292 7.940 4.011) 9.877 12.319 ( 2.639 -5.861 -3.108) 7.140 12.319 ( 2.639 5.861 -3.108) 7.140 12.891 ( 0.806 -3.791 -3.215) 5.035 12.891 ( 0.806 3.791 -3.215) 5.035 13.208 ( -1.993 -3.878 -0.013) 4.360 13.208 ( -1.993 3.878 -0.013) 4.360 13.554 ( 3.982 -1.961 -7.292) 8.537 13.554 ( 3.982 1.961 -7.292) 8.537 13.991 ( 0.453 -6.612 -4.076) 7.781 13.991 ( 0.453 6.612 -4.076) 7.781 14.298 ( -7.005 -5.698 -3.650) 9.739 14.298 ( -7.005 5.698 -3.650) 9.739 14.771 ( -4.866 -10.902 5.622) 13.196 14.771 ( -4.866 10.902 5.622) 13.196 15.379 ( -0.115 -8.608 4.792) 9.852 15.379 ( -0.115 8.608 4.792) 9.852 15.979 ( -0.318 -12.859 16.517) 20.934 15.979 ( -0.318 12.859 16.517) 20.934 16.344 ( -2.767 -6.711 1.430) 7.399 16.344 ( -2.767 6.711 1.430) 7.399 16.986 ( 14.364 -3.274 21.569) 26.120 16.986 ( 14.364 3.274 21.569) 26.120 18.057 ( 8.689 -9.380 0.067) 12.786 18.057 ( 8.689 9.380 0.067) 12.786 18.408 ( 3.341 -1.772 0.332) 3.797 18.408 ( 3.341 1.772 0.332) 3.797 18.988 ( 13.121 -8.350 -2.992) 15.838 18.988 ( 13.121 8.350 -2.992) 15.838 19.806 ( 5.273 -6.483 10.166) 13.159 19.806 ( 5.273 6.483 10.166) 13.159 22.120 ( -29.553 -10.953 6.026) 32.088 22.120 ( -29.553 10.953 6.026) 32.088 24.755 ( 5.421 -3.885 -5.567) 8.688 24.755 ( 5.421 3.885 -5.567) 8.688 26.950 ( 5.937 -11.382 0.426) 12.844 26.950 ( 5.937 11.382 0.426) 12.844 28.992 ( 3.220 -4.511 1.716) 5.802 28.992 ( 3.220 4.511 1.716) 5.802 ======================= Grid point 79 (42/96) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -6.082 -10.005 14.273) 18.461 1.487 ( -6.082 10.005 14.273) 18.461 1.637 ( -6.167 -7.309 19.204) 21.453 1.637 ( -6.167 7.309 19.204) 21.453 2.365 ( -2.149 -6.341 10.972) 12.853 2.365 ( -2.149 6.341 10.972) 12.853 2.599 ( -10.012 -8.748 17.682) 22.123 2.599 ( -10.012 8.748 17.682) 22.123 2.926 ( -3.563 -11.832 6.789) 14.099 2.926 ( -3.563 11.832 6.789) 14.099 3.012 ( -7.011 -10.448 9.998) 16.071 3.012 ( -7.011 10.448 9.998) 16.071 3.300 ( 5.349 -11.126 -2.657) 12.628 3.300 ( 5.349 11.126 -2.657) 12.628 3.442 ( 5.592 -4.105 1.703) 7.143 3.442 ( 5.592 4.105 1.703) 7.143 3.627 ( 5.321 -4.506 5.099) 8.638 3.627 ( 5.321 4.506 5.099) 8.638 4.025 ( 5.386 -4.890 9.072) 11.628 4.025 ( 5.386 4.890 9.072) 11.628 4.277 ( 4.769 -10.884 5.362) 13.037 4.277 ( 4.769 10.884 5.362) 13.037 4.711 ( 4.454 -4.941 -3.333) 7.441 4.711 ( 4.454 4.941 -3.333) 7.441 5.140 ( -2.862 -2.485 0.109) 3.792 5.140 ( -2.862 2.485 0.109) 3.792 5.332 ( -0.377 -2.257 -0.493) 2.341 5.332 ( -0.377 2.257 -0.493) 2.341 5.623 ( -6.143 -1.548 -3.126) 7.065 5.623 ( -6.143 1.548 -3.126) 7.065 5.825 ( 3.066 -3.174 -2.018) 4.853 5.825 ( 3.066 3.174 -2.018) 4.853 6.011 ( -2.447 -3.059 -0.609) 3.964 6.011 ( -2.447 3.059 -0.609) 3.964 6.161 ( -2.079 -1.122 -0.642) 2.448 6.161 ( -2.079 1.122 -0.642) 2.448 6.756 ( -1.131 -5.684 -2.333) 6.247 6.756 ( -1.131 5.684 -2.333) 6.247 7.189 ( 0.132 -1.886 0.619) 1.990 7.189 ( 0.132 1.886 0.619) 1.990 7.335 ( 1.139 -8.876 -0.980) 9.002 7.335 ( 1.139 8.876 -0.980) 9.002 7.707 ( 0.125 -5.239 5.553) 7.636 7.707 ( 0.125 5.239 5.553) 7.636 8.279 ( -0.127 -3.869 4.666) 6.063 8.279 ( -0.127 3.869 4.666) 6.063 8.672 ( 2.606 -1.618 -8.037) 8.602 8.672 ( 2.606 1.618 -8.037) 8.602 9.048 ( 3.814 -7.179 -3.855) 8.997 9.048 ( 3.814 7.179 -3.855) 8.997 9.254 ( 2.948 -8.458 -2.094) 9.199 9.254 ( 2.948 8.458 -2.094) 9.199 9.535 ( -0.415 -4.985 0.056) 5.002 9.535 ( -0.415 4.985 0.056) 5.002 9.798 ( 3.051 -4.402 -4.548) 7.026 9.798 ( 3.051 4.402 -4.548) 7.026 10.080 ( 1.272 -2.198 -3.157) 4.052 10.080 ( 1.272 2.198 -3.157) 4.052 10.312 ( 0.309 -1.063 -5.702) 5.809 10.312 ( 0.309 1.063 -5.702) 5.809 10.582 ( -1.099 -4.017 10.304) 11.114 10.582 ( -1.099 4.017 10.304) 11.114 10.744 ( -1.447 -3.430 14.541) 15.010 10.744 ( -1.447 3.430 14.541) 15.010 11.188 ( -0.061 -5.189 8.713) 10.141 11.188 ( -0.061 5.189 8.713) 10.141 11.453 ( -7.056 -3.587 5.280) 9.515 11.453 ( -7.056 3.587 5.280) 9.515 11.901 ( 0.083 -1.794 2.686) 3.231 11.901 ( 0.083 1.794 2.686) 3.231 12.418 ( 6.359 -6.873 -3.170) 9.885 12.418 ( 6.359 6.873 -3.170) 9.885 12.866 ( -1.952 -5.892 -1.484) 6.382 12.866 ( -1.952 5.892 -1.484) 6.382 13.149 ( -4.150 -6.233 -2.756) 7.979 13.149 ( -4.150 6.233 -2.756) 7.979 13.643 ( 4.046 -0.986 -5.044) 6.541 13.643 ( 4.046 0.986 -5.044) 6.541 14.017 ( 0.638 -5.366 -5.764) 7.901 14.017 ( 0.638 5.366 -5.764) 7.901 14.173 ( -3.810 -6.536 -3.731) 8.435 14.173 ( -3.810 6.536 -3.731) 8.435 14.684 ( -3.611 -12.556 5.915) 14.341 14.684 ( -3.611 12.556 5.915) 14.341 15.375 ( -0.093 -7.821 4.405) 8.977 15.375 ( -0.093 7.821 4.405) 8.977 15.961 ( -1.148 -10.449 13.661) 17.237 15.961 ( -1.148 10.449 13.661) 17.237 16.278 ( -3.485 -7.343 -1.782) 8.321 16.278 ( -3.485 7.343 -1.782) 8.321 17.283 ( 12.242 -4.251 19.880) 23.731 17.283 ( 12.242 4.251 19.880) 23.731 18.236 ( 6.817 -4.666 -8.706) 12.002 18.236 ( 6.817 4.666 -8.706) 12.002 18.535 ( 10.687 -6.561 5.778) 13.807 18.535 ( 10.687 6.561 5.778) 13.807 19.197 ( 6.161 -6.739 -6.285) 11.084 19.197 ( 6.161 6.739 -6.285) 11.084 20.033 ( 18.391 -7.232 17.037) 26.092 20.033 ( 18.391 7.232 17.037) 26.092 21.374 ( -42.301 -12.689 17.513) 47.509 21.374 ( -42.301 12.689 17.513) 47.509 24.849 ( 3.558 -3.913 -7.255) 8.978 24.849 ( 3.558 3.913 -7.255) 8.978 27.075 ( 5.649 -11.431 -0.616) 12.765 27.075 ( 5.649 11.431 -0.616) 12.765 29.060 ( 2.981 -6.311 0.274) 6.985 29.060 ( 2.981 6.311 0.274) 6.985 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -1.673 0.000 23.877) 23.935 1.233 ( -1.668 0.000 31.854) 31.897 1.927 ( 0.425 0.000 -9.709) 9.719 2.155 ( -0.309 0.000 3.836) 3.848 2.370 ( -2.862 0.000 47.055) 47.142 2.408 ( 1.271 0.000 8.664) 8.757 2.611 ( -2.551 0.000 7.966) 8.364 2.781 ( 1.619 0.000 -5.466) 5.700 2.812 ( 1.973 0.000 -3.259) 3.809 2.924 ( 0.012 0.000 6.313) 6.313 3.025 ( -8.791 0.000 11.165) 14.211 3.100 ( 3.241 0.000 2.150) 3.889 3.286 ( -1.693 0.000 19.204) 19.278 3.629 ( 0.186 0.000 -3.284) 3.289 3.696 ( 1.341 0.000 -3.656) 3.894 3.942 ( -0.829 0.000 26.233) 26.246 4.065 ( 0.846 0.000 24.573) 24.588 4.149 ( -1.058 0.000 26.257) 26.278 4.438 ( -0.516 0.000 11.861) 11.872 4.493 ( 0.592 0.000 14.580) 14.592 4.519 ( 1.135 0.000 5.115) 5.239 4.717 ( 1.854 0.000 -10.114) 10.282 4.853 ( -0.861 0.000 3.775) 3.872 4.959 ( 2.080 0.000 -0.228) 2.093 4.996 ( 4.489 0.000 0.887) 4.576 5.114 ( -5.570 0.000 2.396) 6.063 5.240 ( -4.075 0.000 2.538) 4.800 5.301 ( -4.208 0.000 -0.995) 4.324 5.373 ( 4.804 0.000 -3.198) 5.771 5.447 ( 3.378 0.000 -2.368) 4.126 5.558 ( -0.567 0.000 -12.542) 12.555 5.630 ( 4.661 0.000 -11.087) 12.027 5.778 ( -3.211 0.000 -8.724) 9.296 5.840 ( -1.319 0.000 -4.839) 5.015 6.086 ( -0.704 0.000 -6.522) 6.560 6.236 ( -0.143 0.000 -2.816) 2.819 6.332 ( 1.342 0.000 3.381) 3.637 6.759 ( 0.191 0.000 -5.239) 5.243 6.869 ( -0.156 0.000 1.287) 1.297 7.283 ( -2.451 0.000 -8.884) 9.216 7.501 ( 0.133 0.000 3.880) 3.882 7.613 ( 1.043 0.000 0.794) 1.310 7.803 ( 0.844 0.000 5.840) 5.900 7.832 ( -3.086 0.000 4.006) 5.057 8.065 ( -2.938 0.000 1.048) 3.120 8.241 ( 4.305 0.000 -8.272) 9.325 8.443 ( -0.709 0.000 -13.122) 13.141 8.583 ( 1.300 0.000 0.390) 1.358 8.935 ( -2.777 0.000 -1.171) 3.014 9.061 ( -2.471 0.000 1.190) 2.743 9.150 ( 3.596 0.000 -3.258) 4.852 9.298 ( -4.164 0.000 -10.143) 10.964 9.431 ( -0.501 0.000 -6.772) 6.790 9.442 ( 3.031 0.000 -10.224) 10.664 9.698 ( 1.199 0.000 -8.432) 8.517 9.897 ( 2.429 0.000 -13.273) 13.493 10.016 ( -5.024 0.000 -3.607) 6.185 10.114 ( 0.419 0.000 -3.872) 3.894 10.247 ( 2.854 0.000 -0.788) 2.961 10.467 ( 0.780 0.000 8.381) 8.418 10.685 ( 2.660 0.000 -2.631) 3.741 10.766 ( 11.446 0.000 6.828) 13.328 10.892 ( -7.753 0.000 1.294) 7.860 10.991 ( 2.679 0.000 18.223) 18.419 11.310 ( 4.373 0.000 9.577) 10.528 11.368 ( -7.085 0.000 3.637) 7.964 11.530 ( 3.558 0.000 4.717) 5.908 11.669 ( -8.818 0.000 6.034) 10.685 11.925 ( 2.945 0.000 5.511) 6.249 12.166 ( 4.247 0.000 10.732) 11.541 12.349 ( -2.424 0.000 3.449) 4.215 12.611 ( -3.033 0.000 -0.632) 3.098 12.720 ( -3.633 0.000 -9.449) 10.123 12.778 ( 8.128 0.000 2.503) 8.505 12.979 ( -1.691 0.000 -9.192) 9.346 13.080 ( -1.593 0.000 -1.918) 2.493 13.313 ( -1.843 0.000 -5.044) 5.370 13.513 ( -2.579 0.000 -5.884) 6.424 13.740 ( 2.713 0.000 -2.021) 3.383 13.912 ( -0.475 0.000 -2.799) 2.839 14.027 ( -1.363 0.000 -6.500) 6.642 14.322 ( 1.320 0.000 -8.675) 8.775 14.762 ( 3.973 0.000 7.316) 8.325 14.968 ( 2.787 0.000 0.038) 2.788 15.259 ( -6.016 0.000 8.343) 10.286 15.541 ( 0.319 0.000 2.536) 2.556 15.895 ( 0.538 0.000 4.068) 4.103 16.147 ( -0.159 0.000 27.934) 27.935 16.321 ( -6.988 0.000 6.556) 9.582 16.654 ( -0.995 0.000 23.414) 23.435 17.657 ( 0.815 0.000 20.477) 20.493 17.837 ( -4.280 0.000 2.257) 4.838 18.020 ( 5.444 0.000 -6.584) 8.543 18.259 ( 1.146 0.000 4.525) 4.668 18.671 ( 6.028 0.000 1.359) 6.179 18.748 ( -5.277 0.000 -2.653) 5.906 18.969 ( 7.038 0.000 -10.041) 12.262 19.207 ( -2.096 0.000 -10.770) 10.972 19.823 ( -21.106 0.000 0.795) 21.121 20.222 ( -14.434 0.000 -3.688) 14.898 21.549 ( 14.840 0.000 42.242) 44.773 23.102 ( 7.667 0.000 4.713) 9.000 24.454 ( -1.225 0.000 -7.922) 8.016 24.853 ( 0.644 0.000 -8.639) 8.663 26.486 ( -0.837 0.000 0.697) 1.089 27.892 ( 7.680 0.000 -4.516) 8.909 28.903 ( 3.314 0.000 2.692) 4.270 29.030 ( -9.491 0.000 -2.686) 9.864 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 14.866 0.000 18.739) 23.920 1.330 ( 10.670 0.000 27.536) 29.531 1.967 ( 2.972 0.000 -7.182) 7.772 2.159 ( -0.452 0.000 1.977) 2.028 2.308 ( -4.397 0.000 6.730) 8.039 2.522 ( 12.931 0.000 41.013) 43.003 2.620 ( 0.012 0.000 7.182) 7.182 2.775 ( -4.826 0.000 3.579) 6.008 2.813 ( -2.457 0.000 -6.672) 7.110 2.873 ( -1.229 0.000 3.617) 3.820 2.979 ( 6.529 0.000 8.935) 11.067 3.160 ( -0.724 0.000 10.745) 10.769 3.235 ( 0.371 0.000 15.647) 15.652 3.562 ( -7.169 0.000 -4.242) 8.330 3.720 ( 3.368 0.000 0.900) 3.487 3.858 ( -7.847 0.000 18.703) 20.283 4.000 ( -7.764 0.000 26.516) 27.630 4.065 ( -4.204 0.000 25.198) 25.546 4.235 ( -15.100 0.000 8.606) 17.380 4.338 ( -9.344 0.000 15.537) 18.130 4.636 ( 1.829 0.000 7.931) 8.139 4.787 ( 3.214 0.000 -9.478) 10.009 4.807 ( -2.275 0.000 3.705) 4.348 4.952 ( -5.141 0.000 -0.525) 5.168 4.975 ( -2.299 0.000 6.631) 7.018 5.073 ( 0.481 0.000 -2.019) 2.075 5.183 ( -1.598 0.000 1.140) 1.963 5.298 ( 0.134 0.000 -2.142) 2.146 5.481 ( 10.773 0.000 -5.952) 12.308 5.561 ( 0.559 0.000 -7.814) 7.833 5.609 ( 4.681 0.000 -2.513) 5.313 5.750 ( 6.528 0.000 -8.446) 10.674 5.819 ( 9.161 0.000 -8.409) 12.435 5.866 ( 2.899 0.000 -5.938) 6.608 6.053 ( -1.582 0.000 -2.972) 3.367 6.217 ( -1.491 0.000 -3.474) 3.780 6.387 ( 3.732 0.000 2.037) 4.252 6.751 ( -0.626 0.000 -4.182) 4.229 6.883 ( 1.298 0.000 0.168) 1.309 7.203 ( -4.444 0.000 -8.515) 9.605 7.489 ( -0.824 0.000 2.774) 2.894 7.609 ( -1.224 0.000 2.387) 2.683 7.689 ( -7.163 0.000 7.320) 10.242 7.868 ( 1.965 0.000 -3.147) 3.710 8.073 ( 2.973 0.000 7.979) 8.515 8.323 ( 3.176 0.000 -6.682) 7.399 8.393 ( -3.451 0.000 -7.746) 8.480 8.596 ( -2.320 0.000 -0.049) 2.321 8.876 ( -1.729 0.000 -4.988) 5.279 9.052 ( 1.100 0.000 2.080) 2.353 9.194 ( -0.566 0.000 -9.093) 9.111 9.271 ( 1.839 0.000 -5.665) 5.956 9.358 ( -2.988 0.000 -8.249) 8.773 9.518 ( 2.101 0.000 -6.022) 6.378 9.710 ( -0.862 0.000 -8.778) 8.820 9.822 ( -9.859 0.000 -1.211) 9.933 9.956 ( 1.166 0.000 -9.883) 9.951 10.128 ( 1.242 0.000 -3.577) 3.786 10.247 ( -1.312 0.000 -0.004) 1.312 10.454 ( -5.454 0.000 7.224) 9.052 10.557 ( -2.186 0.000 3.420) 4.059 10.883 ( 2.976 0.000 2.628) 3.970 11.035 ( 0.116 0.000 10.192) 10.193 11.083 ( 11.412 0.000 6.202) 12.989 11.241 ( -1.903 0.000 3.450) 3.940 11.421 ( 0.930 0.000 9.991) 10.034 11.497 ( -0.882 0.000 14.879) 14.905 11.583 ( -1.709 0.000 3.285) 3.703 11.916 ( -2.249 0.000 11.412) 11.632 12.152 ( -5.302 0.000 12.380) 13.468 12.332 ( 2.488 0.000 -6.468) 6.930 12.538 ( -1.322 0.000 -1.367) 1.901 12.683 ( -1.505 0.000 -4.325) 4.579 12.824 ( -3.467 0.000 -6.999) 7.811 12.978 ( -0.421 0.000 -6.883) 6.896 13.260 ( 0.962 0.000 -5.599) 5.682 13.332 ( 17.264 0.000 -9.783) 19.843 13.489 ( 1.765 0.000 -2.552) 3.103 13.743 ( -2.509 0.000 -3.393) 4.220 13.896 ( -0.249 0.000 -3.345) 3.354 14.038 ( 1.673 0.000 -5.104) 5.371 14.338 ( -0.010 0.000 -8.565) 8.565 14.891 ( 8.661 0.000 4.399) 9.714 15.050 ( 2.200 0.000 4.036) 4.596 15.120 ( -4.277 0.000 6.646) 7.903 15.519 ( -1.823 0.000 3.800) 4.214 15.901 ( -1.093 0.000 3.142) 3.327 16.155 ( 0.758 0.000 21.544) 21.558 16.239 ( 0.162 0.000 15.976) 15.976 16.669 ( 2.100 0.000 23.278) 23.372 17.503 ( -15.781 0.000 18.946) 24.657 17.752 ( -1.766 0.000 6.746) 6.973 18.148 ( -5.066 0.000 -7.315) 8.898 18.187 ( 0.555 0.000 12.458) 12.470 18.536 ( -13.459 0.000 -0.504) 13.469 18.708 ( -2.267 0.000 -1.488) 2.712 18.995 ( -5.416 0.000 -7.267) 9.063 19.150 ( -4.926 0.000 -10.900) 11.962 19.307 ( -17.791 0.000 15.171) 23.381 19.967 ( -8.767 0.000 5.104) 10.145 22.020 ( 26.295 0.000 29.545) 39.552 23.163 ( -0.951 0.000 1.141) 1.485 24.426 ( -1.477 0.000 -8.325) 8.455 24.805 ( -4.988 0.000 -7.982) 9.412 26.477 ( -0.047 0.000 0.628) 0.630 27.773 ( -16.578 0.000 -2.734) 16.802 28.801 ( -5.416 0.000 1.082) 5.523 29.071 ( 5.557 0.000 0.774) 5.610 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 21.075 0.000 11.809) 24.158 1.646 ( 19.240 0.000 19.083) 27.099 1.986 ( -1.357 0.000 3.513) 3.766 2.172 ( 4.788 0.000 -1.618) 5.054 2.319 ( 4.102 0.000 0.731) 4.167 2.525 ( -7.713 0.000 5.840) 9.675 2.658 ( -2.827 0.000 4.406) 5.235 2.724 ( 0.155 0.000 9.328) 9.330 2.783 ( 2.019 0.000 -2.329) 3.083 2.918 ( 0.856 0.000 -1.263) 1.526 3.067 ( -3.953 0.000 12.288) 12.908 3.206 ( 8.781 0.000 16.465) 18.660 3.328 ( 4.420 0.000 18.356) 18.880 3.497 ( 7.537 0.000 7.109) 10.361 3.603 ( -11.412 0.000 4.840) 12.396 3.778 ( -3.306 0.000 10.192) 10.715 3.860 ( -4.962 0.000 25.305) 25.787 3.926 ( -12.596 0.000 10.205) 16.211 4.002 ( -3.841 0.000 18.111) 18.513 4.107 ( -11.442 0.000 20.514) 23.489 4.600 ( -4.827 0.000 3.677) 6.068 4.659 ( -8.887 0.000 7.181) 11.425 4.811 ( -6.156 0.000 -1.787) 6.410 4.859 ( -5.255 0.000 0.075) 5.256 4.967 ( 5.346 0.000 -1.748) 5.624 5.104 ( 4.062 0.000 -4.350) 5.952 5.200 ( 4.716 0.000 2.466) 5.322 5.406 ( 8.137 0.000 0.812) 8.178 5.491 ( -4.911 0.000 -5.328) 7.246 5.640 ( 1.363 0.000 -4.567) 4.766 5.685 ( 3.282 0.000 -3.938) 5.127 5.867 ( 4.841 0.000 -3.450) 5.944 5.960 ( 4.581 0.000 -4.721) 6.578 6.016 ( 8.216 0.000 -3.616) 8.976 6.067 ( 2.654 0.000 -5.684) 6.273 6.178 ( -1.266 0.000 -5.170) 5.322 6.476 ( 4.860 0.000 1.711) 5.153 6.745 ( 0.075 0.000 -1.971) 1.972 6.917 ( 1.923 0.000 -2.838) 3.428 7.127 ( -2.724 0.000 -7.791) 8.253 7.490 ( -0.094 0.000 4.536) 4.537 7.533 ( -4.110 0.000 6.934) 8.060 7.610 ( -0.380 0.000 2.619) 2.647 7.886 ( 0.023 0.000 -3.375) 3.375 8.127 ( 0.337 0.000 5.473) 5.484 8.318 ( -2.635 0.000 -0.477) 2.678 8.367 ( -0.006 0.000 0.347) 0.347 8.462 ( -7.877 0.000 -1.425) 8.005 8.849 ( -2.601 0.000 -6.729) 7.214 9.063 ( -0.585 0.000 -0.208) 0.621 9.194 ( -0.440 0.000 -9.753) 9.763 9.264 ( -4.152 0.000 1.432) 4.392 9.362 ( 5.421 0.000 -7.088) 8.924 9.539 ( 1.068 0.000 -3.344) 3.510 9.638 ( -5.643 0.000 -9.009) 10.630 9.686 ( -1.188 0.000 -2.464) 2.736 9.947 ( -3.555 0.000 -5.105) 6.221 10.199 ( 4.354 0.000 -0.345) 4.368 10.235 ( 1.548 0.000 -1.162) 1.936 10.367 ( -1.580 0.000 1.169) 1.965 10.586 ( 2.642 0.000 8.046) 8.468 10.864 ( -4.851 0.000 7.164) 8.652 11.041 ( 2.405 0.000 4.670) 5.253 11.164 ( -4.341 0.000 5.591) 7.079 11.292 ( 4.780 0.000 7.460) 8.860 11.354 ( -1.666 0.000 15.949) 16.036 11.513 ( -2.598 0.000 13.863) 14.104 11.650 ( 9.751 0.000 5.643) 11.266 11.918 ( 1.850 0.000 3.333) 3.811 11.990 ( -8.264 0.000 9.810) 12.827 12.365 ( -0.418 0.000 -7.358) 7.370 12.558 ( 1.993 0.000 -5.705) 6.043 12.646 ( -2.382 0.000 -5.766) 6.238 12.759 ( -3.265 0.000 -5.586) 6.470 12.981 ( 1.657 0.000 -2.729) 3.193 13.229 ( 0.432 0.000 -6.226) 6.241 13.508 ( 0.911 0.000 -6.023) 6.092 13.653 ( 2.012 0.000 0.353) 2.043 13.660 ( -2.256 0.000 -6.631) 7.004 13.963 ( 7.955 0.000 -3.438) 8.667 14.068 ( 1.271 0.000 -7.521) 7.627 14.348 ( 2.513 0.000 -10.831) 11.119 14.943 ( -6.174 0.000 9.549) 11.371 15.090 ( 8.417 0.000 2.619) 8.815 15.202 ( 7.437 0.000 0.343) 7.445 15.544 ( 5.552 0.000 6.941) 8.888 15.839 ( -4.108 0.000 1.773) 4.474 16.194 ( 3.023 0.000 14.227) 14.545 16.307 ( 5.272 0.000 22.174) 22.792 16.719 ( 2.164 0.000 25.232) 25.324 17.162 ( -15.331 0.000 23.048) 27.681 17.675 ( -9.901 0.000 20.670) 22.919 17.842 ( -12.976 0.000 9.112) 15.856 18.274 ( -4.003 0.000 -1.441) 4.254 18.291 ( -4.218 0.000 -3.501) 5.482 18.631 ( -4.403 0.000 0.111) 4.405 18.805 ( -10.632 0.000 0.465) 10.642 18.951 ( -10.513 0.000 -7.368) 12.838 19.205 ( 0.407 0.000 2.706) 2.737 19.881 ( -0.805 0.000 5.004) 5.069 22.520 ( 21.678 0.000 21.940) 30.844 23.130 ( -1.026 0.000 4.015) 4.144 24.391 ( -1.911 0.000 -7.653) 7.888 24.671 ( -7.625 0.000 -8.991) 11.789 26.477 ( -0.106 0.000 -0.175) 0.204 27.415 ( -15.740 0.000 2.071) 15.876 28.749 ( -0.713 0.000 0.794) 1.067 29.129 ( 0.371 0.000 0.686) 0.780 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.961 ( 20.469 0.000 8.193) 22.048 2.007 ( 5.772 0.000 6.594) 8.763 2.051 ( 18.252 0.000 13.661) 22.798 2.306 ( 5.001 0.000 0.816) 5.067 2.427 ( 3.679 0.000 -0.099) 3.681 2.432 ( 3.388 0.000 2.984) 4.515 2.577 ( -4.435 0.000 4.145) 6.070 2.707 ( -0.475 0.000 -5.305) 5.326 2.817 ( -0.612 0.000 6.833) 6.861 2.852 ( -0.839 0.000 -1.918) 2.094 3.026 ( -4.633 0.000 10.056) 11.071 3.141 ( -11.492 0.000 -1.491) 11.588 3.266 ( -6.613 0.000 5.606) 8.670 3.530 ( 4.409 0.000 10.674) 11.549 3.565 ( -12.765 0.000 -3.639) 13.273 3.700 ( -8.261 0.000 19.049) 20.763 3.794 ( -7.804 0.000 22.161) 23.495 3.807 ( -0.893 0.000 33.050) 33.062 3.924 ( -1.601 0.000 18.987) 19.055 4.063 ( 17.301 0.000 20.484) 26.812 4.405 ( -9.793 0.000 -1.118) 9.856 4.550 ( -1.694 0.000 6.484) 6.702 4.714 ( -2.925 0.000 -0.152) 2.929 4.840 ( 3.134 0.000 2.346) 3.915 5.056 ( 4.136 0.000 1.713) 4.477 5.205 ( 4.365 0.000 1.468) 4.605 5.316 ( 3.366 0.000 1.664) 3.754 5.388 ( -4.582 0.000 -2.797) 5.368 5.538 ( 4.846 0.000 -4.447) 6.577 5.594 ( -3.200 0.000 -3.544) 4.775 5.775 ( 3.707 0.000 -5.735) 6.828 5.872 ( -5.812 0.000 -0.321) 5.820 5.976 ( -0.424 0.000 -5.443) 5.459 6.122 ( 4.382 0.000 -1.063) 4.509 6.151 ( 4.052 0.000 -4.216) 5.848 6.210 ( 2.245 0.000 -8.053) 8.360 6.587 ( 6.179 0.000 1.573) 6.376 6.760 ( 1.847 0.000 -0.602) 1.943 6.944 ( 0.223 0.000 -5.492) 5.497 7.094 ( -0.942 0.000 -5.101) 5.187 7.409 ( -3.175 0.000 6.481) 7.216 7.585 ( 4.169 0.000 2.276) 4.750 7.633 ( 2.553 0.000 7.402) 7.830 7.878 ( -0.768 0.000 -3.351) 3.438 8.053 ( -5.651 0.000 1.667) 5.892 8.224 ( -8.428 0.000 -1.184) 8.511 8.315 ( 0.082 0.000 12.874) 12.874 8.453 ( 3.778 0.000 -4.507) 5.881 8.756 ( -5.606 0.000 -4.703) 7.317 9.051 ( -0.319 0.000 -1.095) 1.140 9.140 ( -6.654 0.000 -4.418) 7.988 9.190 ( 0.955 0.000 -6.344) 6.416 9.463 ( 1.753 0.000 -8.955) 9.125 9.548 ( -0.995 0.000 -6.104) 6.185 9.644 ( 5.580 0.000 -4.623) 7.247 9.684 ( 1.799 0.000 1.541) 2.369 9.839 ( -5.891 0.000 -6.150) 8.516 10.219 ( 0.524 0.000 0.964) 1.097 10.307 ( -0.312 0.000 -2.534) 2.553 10.354 ( 0.643 0.000 1.330) 1.477 10.650 ( 3.355 0.000 4.129) 5.320 10.795 ( -0.695 0.000 10.191) 10.215 11.011 ( -8.200 0.000 11.319) 13.977 11.062 ( -1.018 0.000 10.988) 11.035 11.316 ( -2.131 0.000 12.106) 12.292 11.394 ( 3.988 0.000 14.138) 14.689 11.507 ( 1.721 0.000 12.068) 12.190 11.832 ( 3.807 0.000 2.745) 4.694 11.873 ( 1.536 0.000 4.361) 4.624 11.992 ( 4.523 0.000 -1.196) 4.679 12.339 ( -1.773 0.000 -7.094) 7.312 12.541 ( -3.172 0.000 -7.592) 8.228 12.612 ( -1.951 0.000 -5.276) 5.625 12.683 ( -2.816 0.000 -7.119) 7.656 13.055 ( 5.066 0.000 -0.369) 5.079 13.287 ( 3.883 0.000 -4.393) 5.863 13.428 ( -6.724 0.000 -3.943) 7.795 13.512 ( -8.102 0.000 -3.736) 8.922 13.752 ( 6.212 0.000 0.542) 6.236 14.054 ( -0.318 0.000 -6.494) 6.502 14.103 ( 1.694 0.000 -5.659) 5.907 14.464 ( 6.922 0.000 -12.812) 14.562 14.859 ( -1.293 0.000 8.878) 8.972 15.172 ( 1.717 0.000 3.216) 3.646 15.428 ( 11.677 0.000 -0.079) 11.677 15.653 ( -0.232 0.000 8.915) 8.918 15.825 ( 7.329 0.000 5.124) 8.943 16.267 ( 3.490 0.000 4.468) 5.670 16.430 ( 6.434 0.000 24.301) 25.139 16.735 ( -1.358 0.000 29.258) 29.290 16.937 ( -6.157 0.000 26.235) 26.948 17.350 ( -16.158 0.000 27.595) 31.978 17.725 ( -3.319 0.000 2.716) 4.288 18.076 ( -8.449 0.000 -2.310) 8.759 18.302 ( -0.807 0.000 -1.415) 1.629 18.531 ( -5.634 0.000 -2.982) 6.374 18.628 ( -6.112 0.000 2.806) 6.725 18.742 ( -9.519 0.000 -4.017) 10.332 19.250 ( 3.766 0.000 -1.536) 4.067 19.892 ( 1.278 0.000 3.397) 3.630 22.868 ( 11.761 0.000 17.472) 21.061 23.146 ( 2.489 0.000 7.591) 7.989 24.354 ( -1.386 0.000 -6.736) 6.877 24.520 ( -6.491 0.000 -10.219) 12.107 26.471 ( -0.369 0.000 -1.534) 1.578 27.170 ( -8.507 0.000 0.984) 8.564 28.753 ( 0.974 0.000 0.764) 1.238 29.107 ( -2.041 0.000 1.799) 2.721 ======================= Grid point 94 (47/96) ======================= q-point: ( 0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( 7.645 0.000 8.423) 11.375 2.262 ( -4.033 0.000 5.042) 6.456 2.330 ( 12.247 0.000 4.305) 12.982 2.380 ( 10.985 0.000 6.994) 13.023 2.498 ( -1.337 0.000 4.019) 4.235 2.525 ( 4.110 0.000 0.808) 4.188 2.600 ( 8.594 0.000 5.707) 10.317 2.739 ( 2.104 0.000 2.351) 3.155 2.819 ( -3.078 0.000 2.872) 4.210 2.852 ( -6.534 0.000 0.428) 6.548 2.876 ( -4.980 0.000 -3.949) 6.356 2.906 ( -1.798 0.000 2.548) 3.119 3.208 ( 1.964 0.000 0.837) 2.135 3.346 ( -5.770 0.000 -1.297) 5.914 3.440 ( -9.885 0.000 5.883) 11.504 3.505 ( -12.285 0.000 5.544) 13.478 3.744 ( 2.419 0.000 36.387) 36.467 3.802 ( -2.976 0.000 33.249) 33.382 3.892 ( 7.863 0.000 18.077) 19.713 4.115 ( -10.197 0.000 8.845) 13.498 4.571 ( 1.745 0.000 0.374) 1.785 4.605 ( 17.740 0.000 11.995) 21.415 4.690 ( 1.357 0.000 3.216) 3.491 4.892 ( 0.426 0.000 3.840) 3.864 5.143 ( 3.226 0.000 4.637) 5.649 5.237 ( -3.991 0.000 5.960) 7.173 5.316 ( 1.946 0.000 0.746) 2.084 5.338 ( 0.508 0.000 -3.670) 3.705 5.511 ( -2.756 0.000 -0.563) 2.813 5.604 ( -10.917 0.000 -1.975) 11.094 5.700 ( 6.583 0.000 -9.600) 11.640 5.826 ( -4.201 0.000 -5.114) 6.618 6.031 ( 5.391 0.000 -3.178) 6.258 6.142 ( -2.184 0.000 -4.204) 4.738 6.209 ( -0.187 0.000 -1.529) 1.540 6.241 ( 2.307 0.000 -7.363) 7.716 6.706 ( 4.157 0.000 1.411) 4.390 6.827 ( 4.289 0.000 -0.281) 4.299 6.914 ( -2.649 0.000 -6.208) 6.750 7.070 ( -1.424 0.000 -4.674) 4.886 7.406 ( 2.507 0.000 4.509) 5.159 7.645 ( 1.956 0.000 -0.805) 2.116 7.678 ( 0.528 0.000 11.822) 11.834 7.819 ( -4.663 0.000 2.137) 5.130 8.006 ( -0.160 0.000 0.778) 0.794 8.087 ( -2.799 0.000 2.025) 3.455 8.323 ( 0.356 0.000 4.613) 4.627 8.545 ( 4.336 0.000 -0.396) 4.354 8.671 ( -1.805 0.000 -5.615) 5.898 8.998 ( -5.121 0.000 -1.167) 5.252 9.070 ( 0.883 0.000 -8.044) 8.092 9.238 ( 3.327 0.000 -3.983) 5.190 9.478 ( 1.204 0.000 -11.759) 11.820 9.539 ( -0.365 0.000 -4.529) 4.544 9.673 ( -5.312 0.000 0.708) 5.359 9.683 ( 0.680 0.000 -0.910) 1.136 9.853 ( 6.283 0.000 -5.305) 8.224 10.208 ( -4.028 0.000 -4.195) 5.816 10.237 ( -2.714 0.000 -4.457) 5.218 10.373 ( 0.780 0.000 5.348) 5.404 10.686 ( -1.411 0.000 5.146) 5.336 10.783 ( -1.839 0.000 1.991) 2.710 10.928 ( 1.078 0.000 25.693) 25.715 11.032 ( -0.565 0.000 14.452) 14.463 11.269 ( -2.566 0.000 10.674) 10.978 11.431 ( 0.123 0.000 15.023) 15.023 11.574 ( 3.997 0.000 11.646) 12.313 11.829 ( 0.016 0.000 5.400) 5.400 11.974 ( 3.243 0.000 -3.929) 5.094 12.110 ( 6.672 0.000 -4.124) 7.844 12.297 ( -1.945 0.000 -6.395) 6.684 12.474 ( -3.566 0.000 -8.228) 8.967 12.546 ( -2.877 0.000 -1.010) 3.049 12.668 ( 0.681 0.000 -9.956) 9.980 13.151 ( 2.931 0.000 2.752) 4.021 13.284 ( -3.968 0.000 -7.634) 8.603 13.327 ( -3.255 0.000 -3.596) 4.850 13.427 ( 1.713 0.000 -1.961) 2.604 13.883 ( 5.778 0.000 -0.752) 5.826 14.012 ( -2.613 0.000 -8.826) 9.204 14.107 ( -1.192 0.000 -3.702) 3.889 14.533 ( -0.379 0.000 -10.307) 10.314 14.909 ( 5.159 0.000 8.341) 9.807 15.192 ( -0.309 0.000 4.744) 4.754 15.450 ( -7.357 0.000 -2.185) 7.674 15.748 ( 9.204 0.000 10.735) 14.140 16.049 ( 11.940 0.000 5.668) 13.217 16.290 ( -2.203 0.000 0.630) 2.291 16.546 ( 3.565 0.000 28.434) 28.656 16.706 ( 0.850 0.000 28.866) 28.879 16.897 ( 0.670 0.000 29.259) 29.267 17.109 ( -7.058 0.000 23.070) 24.125 17.647 ( -4.115 0.000 1.080) 4.255 17.964 ( -2.563 0.000 -0.763) 2.674 18.262 ( -2.842 0.000 -0.724) 2.933 18.414 ( -4.942 0.000 -5.942) 7.728 18.555 ( -1.190 0.000 2.354) 2.638 18.615 ( -1.875 0.000 -0.398) 1.917 19.344 ( 5.086 0.000 -3.166) 5.991 19.922 ( 1.527 0.000 2.914) 3.290 23.004 ( 2.614 0.000 13.839) 14.084 23.183 ( -1.002 0.000 11.171) 11.216 24.350 ( 1.269 0.000 -7.005) 7.119 24.429 ( -2.076 0.000 -9.291) 9.520 26.468 ( 0.233 0.000 -2.718) 2.728 27.060 ( -2.550 0.000 -0.593) 2.618 28.786 ( 2.251 0.000 0.454) 2.296 29.062 ( -2.115 0.000 2.680) 3.413 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -5.645 0.000 8.822) 10.473 2.295 ( -11.597 0.000 5.584) 12.871 2.385 ( 6.840 0.000 4.051) 7.950 2.419 ( -9.132 0.000 1.733) 9.295 2.494 ( 4.050 0.000 0.725) 4.114 2.575 ( -3.488 0.000 5.933) 6.882 2.628 ( -11.270 0.000 1.345) 11.350 2.740 ( 3.521 0.000 4.327) 5.578 2.747 ( -3.326 0.000 3.613) 4.911 2.805 ( 5.785 0.000 1.945) 6.103 2.901 ( 9.512 0.000 -2.803) 9.916 2.975 ( 2.213 0.000 0.959) 2.412 3.225 ( -0.948 0.000 -0.445) 1.047 3.299 ( 2.238 0.000 -1.676) 2.796 3.421 ( 10.075 0.000 6.798) 12.154 3.531 ( 13.452 0.000 6.578) 14.974 3.750 ( -2.124 0.000 28.227) 28.307 3.794 ( 2.372 0.000 39.370) 39.441 3.876 ( -6.407 0.000 20.466) 21.445 4.147 ( 9.156 0.000 7.800) 12.028 4.572 ( -1.419 0.000 2.695) 3.046 4.587 ( -15.143 0.000 11.609) 19.081 4.695 ( -1.873 0.000 -1.086) 2.165 5.026 ( 7.462 0.000 8.165) 11.061 5.099 ( -6.641 0.000 4.033) 7.769 5.195 ( 2.157 0.000 6.283) 6.643 5.303 ( -3.228 0.000 0.602) 3.283 5.374 ( -0.625 0.000 -2.633) 2.706 5.483 ( 4.404 0.000 -1.898) 4.796 5.586 ( 8.283 0.000 -2.575) 8.674 5.657 ( -10.064 0.000 -9.943) 14.147 5.855 ( 6.023 0.000 -4.205) 7.346 6.045 ( -6.203 0.000 -1.318) 6.341 6.127 ( 2.633 0.000 -5.566) 6.157 6.176 ( -2.347 0.000 -1.011) 2.556 6.279 ( 0.886 0.000 -7.368) 7.421 6.681 ( -6.299 0.000 3.487) 7.200 6.876 ( 0.250 0.000 -5.261) 5.267 6.916 ( 1.398 0.000 -2.346) 2.731 7.056 ( 1.694 0.000 -7.030) 7.231 7.460 ( 0.957 0.000 2.120) 2.327 7.641 ( -2.731 0.000 8.388) 8.822 7.689 ( 2.975 0.000 3.259) 4.412 7.765 ( -0.484 0.000 2.389) 2.438 7.981 ( -0.033 0.000 6.165) 6.165 8.112 ( 1.896 0.000 1.397) 2.355 8.334 ( 0.956 0.000 0.829) 1.265 8.574 ( -2.631 0.000 -2.192) 3.425 8.697 ( 4.511 0.000 -7.691) 8.917 8.951 ( 1.118 0.000 -2.338) 2.591 9.120 ( 4.053 0.000 -4.937) 6.387 9.307 ( 2.970 0.000 -2.121) 3.649 9.511 ( -2.204 0.000 -0.882) 2.374 9.520 ( 0.212 0.000 -15.707) 15.709 9.568 ( -1.321 0.000 0.861) 1.577 9.744 ( 4.848 0.000 2.152) 5.305 9.924 ( -0.447 0.000 -7.172) 7.186 10.112 ( -4.554 0.000 -7.268) 8.577 10.175 ( -2.669 0.000 -3.080) 4.076 10.405 ( 2.226 0.000 6.264) 6.648 10.586 ( -6.334 0.000 7.220) 9.604 10.783 ( 0.815 0.000 6.392) 6.444 10.943 ( 0.201 0.000 20.260) 20.261 11.082 ( 4.350 0.000 14.373) 15.017 11.203 ( -4.164 0.000 9.290) 10.181 11.439 ( 1.091 0.000 14.230) 14.271 11.629 ( 0.845 0.000 10.109) 10.145 11.827 ( -0.654 0.000 6.489) 6.522 11.994 ( -0.507 0.000 -5.772) 5.794 12.223 ( 2.769 0.000 -4.383) 5.184 12.296 ( 2.305 0.000 -4.806) 5.330 12.409 ( -1.146 0.000 -4.816) 4.951 12.504 ( -1.844 0.000 -1.921) 2.663 12.703 ( 2.587 0.000 -10.659) 10.969 13.113 ( -4.437 0.000 2.024) 4.876 13.240 ( 0.008 0.000 -3.402) 3.402 13.357 ( 4.369 0.000 -6.883) 8.152 13.473 ( 1.927 0.000 -1.189) 2.264 13.906 ( -3.139 0.000 -3.389) 4.619 14.032 ( 2.730 0.000 -5.417) 6.066 14.062 ( -1.438 0.000 -5.655) 5.835 14.475 ( -4.866 0.000 -8.216) 9.549 14.980 ( -1.339 0.000 6.484) 6.620 15.138 ( -2.447 0.000 4.964) 5.534 15.340 ( -2.763 0.000 0.665) 2.842 15.858 ( 0.388 0.000 4.694) 4.710 16.200 ( -4.960 0.000 8.920) 10.206 16.232 ( 3.394 0.000 1.033) 3.548 16.606 ( 4.737 0.000 29.447) 29.825 16.755 ( 2.029 0.000 24.034) 24.119 16.941 ( 3.519 0.000 32.151) 32.343 17.069 ( 2.971 0.000 20.045) 20.264 17.603 ( 0.823 0.000 2.068) 2.225 17.938 ( -0.475 0.000 -2.275) 2.324 18.239 ( 2.062 0.000 0.345) 2.090 18.361 ( -0.449 0.000 -3.353) 3.383 18.552 ( 0.468 0.000 -0.297) 0.554 18.680 ( 7.649 0.000 -0.803) 7.691 19.449 ( 5.299 0.000 -2.956) 6.067 19.955 ( 1.816 0.000 3.076) 3.572 23.008 ( -2.337 0.000 13.453) 13.655 23.060 ( -10.708 0.000 11.249) 15.530 24.388 ( 1.795 0.000 -7.157) 7.379 24.448 ( 3.994 0.000 -7.913) 8.864 26.483 ( 1.118 0.000 -2.952) 3.157 27.060 ( 2.502 0.000 -0.823) 2.634 28.840 ( 2.801 0.000 -0.494) 2.845 29.031 ( -0.673 0.000 3.495) 3.559 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( -18.080 0.000 5.833) 18.998 2.021 ( -3.708 0.000 10.343) 10.987 2.211 ( -15.289 0.000 7.427) 16.998 2.273 ( -8.084 0.000 4.716) 9.359 2.370 ( -9.407 0.000 -1.770) 9.572 2.536 ( 0.908 0.000 -1.127) 1.447 2.641 ( -0.666 0.000 -3.071) 3.143 2.687 ( 3.686 0.000 1.988) 4.188 2.790 ( 3.224 0.000 0.885) 3.344 2.956 ( 1.984 0.000 1.220) 2.329 3.011 ( 9.500 0.000 5.203) 10.832 3.172 ( 11.614 0.000 0.350) 11.619 3.273 ( 4.461 0.000 7.352) 8.600 3.483 ( 12.083 0.000 -1.624) 12.192 3.550 ( -0.850 0.000 7.065) 7.116 3.739 ( 8.458 0.000 23.876) 25.330 3.777 ( 2.257 0.000 24.128) 24.234 3.831 ( 2.424 0.000 30.616) 30.711 3.931 ( 5.736 0.000 17.095) 18.032 4.061 ( -16.933 0.000 20.715) 26.755 4.385 ( 3.846 0.000 -1.382) 4.087 4.569 ( 2.332 0.000 7.751) 8.094 4.683 ( -0.339 0.000 -1.743) 1.776 4.953 ( -2.341 0.000 4.447) 5.025 5.103 ( -0.708 0.000 3.854) 3.918 5.233 ( -0.737 0.000 4.575) 4.634 5.297 ( 3.198 0.000 6.382) 7.139 5.345 ( -7.571 0.000 -8.397) 11.306 5.445 ( -4.423 0.000 -8.436) 9.525 5.590 ( 3.431 0.000 -3.622) 4.989 5.746 ( 3.085 0.000 -5.838) 6.603 5.918 ( -0.867 0.000 0.784) 1.169 5.960 ( 1.491 0.000 -1.824) 2.356 6.096 ( -5.170 0.000 -3.045) 6.000 6.148 ( -0.998 0.000 -3.862) 3.988 6.257 ( -3.396 0.000 -7.736) 8.449 6.535 ( -6.722 0.000 3.296) 7.486 6.827 ( -3.769 0.000 -3.141) 4.907 6.935 ( 0.458 0.000 -5.518) 5.537 7.142 ( 5.315 0.000 -6.560) 8.443 7.439 ( -1.575 0.000 4.237) 4.520 7.579 ( -3.321 0.000 2.733) 4.301 7.766 ( 0.829 0.000 -1.473) 1.691 7.787 ( 4.551 0.000 8.158) 9.342 8.042 ( 6.606 0.000 9.963) 11.954 8.143 ( 1.519 0.000 -0.191) 1.531 8.347 ( -0.184 0.000 -2.984) 2.989 8.488 ( -4.152 0.000 -5.726) 7.073 8.813 ( 6.095 0.000 -4.885) 7.811 9.008 ( 3.409 0.000 -4.197) 5.407 9.225 ( 5.612 0.000 -1.692) 5.862 9.319 ( -3.090 0.000 2.889) 4.230 9.431 ( -1.841 0.000 -3.945) 4.353 9.536 ( 1.065 0.000 -10.411) 10.465 9.607 ( 2.804 0.000 -2.574) 3.806 9.814 ( -8.179 0.000 -2.497) 8.551 9.882 ( 6.356 0.000 -0.958) 6.428 10.025 ( -2.463 0.000 -7.370) 7.770 10.173 ( 1.359 0.000 -4.472) 4.674 10.449 ( 1.794 0.000 5.884) 6.152 10.469 ( -4.757 0.000 5.696) 7.421 10.788 ( -0.595 0.000 7.964) 7.986 10.965 ( 1.766 0.000 15.960) 16.058 11.113 ( -3.426 0.000 8.253) 8.936 11.172 ( 3.772 0.000 11.604) 12.202 11.471 ( 1.681 0.000 12.718) 12.829 11.606 ( -2.766 0.000 4.726) 5.476 11.793 ( -2.463 0.000 4.554) 5.177 12.003 ( 1.853 0.000 0.240) 1.868 12.174 ( -6.534 0.000 3.315) 7.327 12.349 ( 0.854 0.000 -2.577) 2.715 12.452 ( 3.148 0.000 -8.926) 9.465 12.493 ( 2.701 0.000 -0.596) 2.766 12.755 ( 2.196 0.000 -10.757) 10.979 13.077 ( 2.131 0.000 -3.497) 4.095 13.243 ( -0.573 0.000 0.319) 0.656 13.425 ( 1.716 0.000 -4.109) 4.453 13.491 ( -1.418 0.000 -2.229) 2.642 13.847 ( -1.146 0.000 -0.893) 1.453 13.969 ( -3.945 0.000 -5.928) 7.121 14.149 ( 5.313 0.000 -8.562) 10.076 14.340 ( -8.212 0.000 -8.236) 11.630 14.864 ( -6.404 0.000 5.262) 8.289 15.156 ( 1.772 0.000 5.705) 5.974 15.277 ( -4.360 0.000 -0.003) 4.360 15.785 ( -5.787 0.000 1.046) 5.880 16.094 ( -6.992 0.000 -0.799) 7.037 16.210 ( -2.045 0.000 20.199) 20.302 16.662 ( -1.561 0.000 7.802) 7.957 16.814 ( 2.147 0.000 29.973) 30.050 17.070 ( 10.952 0.000 33.359) 35.111 17.219 ( 10.998 0.000 20.955) 23.665 17.682 ( 6.407 0.000 6.154) 8.884 17.969 ( 4.028 0.000 -3.708) 5.475 18.320 ( 3.845 0.000 -3.818) 5.418 18.402 ( 5.401 0.000 4.112) 6.788 18.575 ( 1.925 0.000 -3.028) 3.588 18.882 ( 11.230 0.000 -3.088) 11.647 19.565 ( 6.397 0.000 -1.911) 6.677 20.005 ( 3.479 0.000 3.740) 5.109 22.724 ( -20.626 0.000 15.983) 26.094 22.961 ( -3.289 0.000 10.528) 11.030 24.426 ( 1.904 0.000 -5.812) 6.116 24.553 ( 5.767 0.000 -9.149) 10.815 26.507 ( 1.044 0.000 -2.167) 2.406 27.157 ( 6.830 0.000 1.040) 6.909 28.882 ( 0.919 0.000 -0.899) 1.286 29.049 ( 2.662 0.000 2.935) 3.963 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -20.173 0.000 11.669) 23.305 1.777 ( -20.654 0.000 15.742) 25.969 2.047 ( 0.419 0.000 2.928) 2.958 2.123 ( -5.782 0.000 -3.912) 6.981 2.299 ( -0.039 0.000 3.724) 3.724 2.585 ( 4.047 0.000 4.934) 6.382 2.634 ( 0.660 0.000 3.036) 3.107 2.730 ( 0.911 0.000 -4.873) 4.957 2.829 ( -0.245 0.000 3.484) 3.492 3.018 ( -2.289 0.000 2.173) 3.156 3.119 ( 6.119 0.000 2.606) 6.651 3.311 ( 0.106 0.000 19.926) 19.926 3.369 ( -0.754 0.000 10.528) 10.555 3.424 ( -18.267 0.000 18.123) 25.732 3.613 ( 8.621 0.000 6.737) 10.941 3.759 ( 12.624 0.000 13.909) 18.783 3.818 ( -1.302 0.000 1.058) 1.678 3.898 ( 7.631 0.000 24.493) 25.654 4.024 ( 4.944 0.000 28.296) 28.725 4.114 ( 11.816 0.000 17.152) 20.828 4.549 ( 5.932 0.000 5.523) 8.105 4.666 ( 8.619 0.000 1.468) 8.743 4.720 ( 5.526 0.000 3.177) 6.374 4.975 ( 0.987 0.000 2.579) 2.762 5.070 ( -10.383 0.000 -5.410) 11.708 5.096 ( -1.776 0.000 -5.244) 5.537 5.212 ( -1.235 0.000 4.951) 5.103 5.321 ( -1.931 0.000 4.095) 4.527 5.459 ( 1.705 0.000 -6.737) 6.950 5.586 ( -3.308 0.000 -4.886) 5.901 5.705 ( -3.397 0.000 -2.961) 4.506 5.906 ( -6.594 0.000 -3.038) 7.260 5.959 ( -6.201 0.000 -3.218) 6.986 5.990 ( 1.616 0.000 -4.739) 5.007 6.113 ( -4.812 0.000 -5.997) 7.690 6.178 ( -0.317 0.000 -5.352) 5.361 6.422 ( -4.672 0.000 3.509) 5.843 6.766 ( -1.889 0.000 -3.700) 4.154 6.924 ( -1.446 0.000 -3.814) 4.079 7.237 ( 3.673 0.000 -7.689) 8.521 7.434 ( 1.397 0.000 5.129) 5.316 7.530 ( -0.731 0.000 0.275) 0.781 7.781 ( 1.047 0.000 1.667) 1.969 7.858 ( 1.837 0.000 10.211) 10.374 8.153 ( 1.000 0.000 -3.619) 3.755 8.230 ( 5.542 0.000 4.312) 7.022 8.329 ( 1.175 0.000 -6.519) 6.624 8.449 ( 1.027 0.000 -4.935) 5.041 8.941 ( 6.591 0.000 -2.170) 6.939 9.059 ( 1.563 0.000 -1.052) 1.884 9.218 ( -5.097 0.000 -0.122) 5.099 9.281 ( -2.319 0.000 -6.514) 6.915 9.429 ( 1.111 0.000 -0.786) 1.361 9.571 ( -1.197 0.000 -6.103) 6.220 9.625 ( -1.475 0.000 1.061) 1.818 9.670 ( 0.970 0.000 -6.218) 6.293 9.959 ( 1.383 0.000 -9.581) 9.680 10.066 ( 4.711 0.000 1.196) 4.860 10.201 ( 0.855 0.000 -4.298) 4.382 10.407 ( -0.654 0.000 -0.682) 0.944 10.478 ( 1.064 0.000 8.169) 8.238 10.761 ( -1.798 0.000 8.224) 8.418 10.980 ( -0.981 0.000 10.318) 10.365 11.093 ( 1.363 0.000 8.675) 8.782 11.228 ( 1.428 0.000 12.932) 13.010 11.491 ( -1.364 0.000 4.765) 4.956 11.548 ( -1.354 0.000 3.637) 3.880 11.764 ( 0.661 0.000 5.241) 5.282 12.002 ( -5.915 0.000 4.841) 7.643 12.043 ( -2.847 0.000 8.552) 9.013 12.309 ( -1.413 0.000 -1.520) 2.075 12.549 ( 2.308 0.000 -2.741) 3.583 12.573 ( 7.017 0.000 -6.321) 9.445 12.798 ( 2.185 0.000 -9.744) 9.986 13.161 ( 2.069 0.000 -6.472) 6.795 13.206 ( -2.628 0.000 0.560) 2.687 13.423 ( -0.701 0.000 -2.356) 2.458 13.434 ( -1.111 0.000 -3.552) 3.721 13.832 ( -4.078 0.000 -3.294) 5.242 13.930 ( 1.593 0.000 -2.093) 2.631 14.160 ( -8.396 0.000 -9.248) 12.491 14.248 ( 4.034 0.000 -10.372) 11.129 14.769 ( -3.130 0.000 5.483) 6.314 15.105 ( -7.678 0.000 1.367) 7.799 15.238 ( 2.404 0.000 4.882) 5.442 15.667 ( -5.614 0.000 0.201) 5.617 15.952 ( -5.263 0.000 -3.457) 6.297 16.184 ( -1.143 0.000 27.919) 27.943 16.592 ( -4.765 0.000 4.656) 6.662 16.790 ( -3.514 0.000 27.738) 27.960 17.338 ( 13.102 0.000 24.718) 27.976 17.489 ( 14.041 0.000 16.757) 21.862 17.861 ( 11.584 0.000 12.600) 17.116 18.061 ( 3.040 0.000 -3.219) 4.427 18.389 ( 3.974 0.000 -1.486) 4.242 18.561 ( 9.203 0.000 2.117) 9.443 18.644 ( 5.289 0.000 -5.648) 7.738 19.097 ( 8.922 0.000 -5.842) 10.665 19.719 ( 8.841 0.000 -1.190) 8.921 20.122 ( 8.563 0.000 3.992) 9.448 22.227 ( -27.810 0.000 21.726) 35.290 22.903 ( -1.749 0.000 12.094) 12.220 24.459 ( 1.245 0.000 -5.908) 6.038 24.673 ( 5.924 0.000 -9.699) 11.365 26.518 ( -0.018 0.000 -0.917) 0.917 27.334 ( 10.624 0.000 4.990) 11.738 28.878 ( -1.002 0.000 0.485) 1.114 29.126 ( 4.077 0.000 -0.793) 4.154 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -15.860 0.000 18.956) 24.716 1.402 ( -14.565 0.000 25.677) 29.520 1.960 ( -3.900 0.000 -8.231) 9.108 2.161 ( 1.811 0.000 1.432) 2.309 2.318 ( 3.930 0.000 5.741) 6.958 2.541 ( -10.072 0.000 29.889) 31.541 2.698 ( -0.046 0.000 5.536) 5.536 2.743 ( 2.833 0.000 -1.802) 3.357 2.765 ( -2.262 0.000 4.908) 5.404 2.964 ( -4.416 0.000 5.896) 7.366 3.058 ( -1.799 0.000 9.288) 9.460 3.198 ( -7.407 0.000 10.842) 13.130 3.276 ( 2.171 0.000 14.496) 14.658 3.536 ( 10.682 0.000 -2.127) 10.892 3.674 ( -3.531 0.000 -1.780) 3.955 3.882 ( 7.015 0.000 17.699) 19.039 3.971 ( 8.166 0.000 23.839) 25.198 4.090 ( 5.644 0.000 26.878) 27.464 4.192 ( 14.830 0.000 13.505) 20.058 4.355 ( 9.979 0.000 15.580) 18.502 4.592 ( -0.688 0.000 8.782) 8.809 4.766 ( -3.913 0.000 -11.713) 12.350 4.860 ( 6.303 0.000 3.686) 7.302 4.875 ( -1.844 0.000 2.955) 3.483 4.961 ( -0.991 0.000 0.069) 0.994 5.187 ( 0.505 0.000 -0.016) 0.505 5.216 ( 6.692 0.000 1.385) 6.833 5.266 ( -1.069 0.000 6.053) 6.147 5.450 ( -4.928 0.000 -6.232) 7.945 5.515 ( -3.680 0.000 -11.243) 11.830 5.583 ( -6.227 0.000 -3.769) 7.279 5.704 ( -10.071 0.000 -5.833) 11.638 5.862 ( -4.142 0.000 -6.979) 8.116 5.921 ( -6.276 0.000 -5.929) 8.634 6.076 ( 1.268 0.000 -7.341) 7.449 6.213 ( 2.051 0.000 -2.688) 3.381 6.346 ( -2.559 0.000 3.946) 4.703 6.750 ( 0.200 0.000 -4.093) 4.097 6.889 ( -1.614 0.000 -1.288) 2.065 7.289 ( 1.489 0.000 -7.786) 7.927 7.479 ( 2.017 0.000 2.131) 2.935 7.560 ( 3.244 0.000 1.851) 3.735 7.792 ( -0.301 0.000 3.237) 3.251 7.871 ( -0.232 0.000 11.372) 11.374 8.169 ( -3.460 0.000 -2.630) 4.346 8.178 ( -0.695 0.000 -8.852) 8.879 8.419 ( 2.786 0.000 -13.918) 14.194 8.536 ( 4.935 0.000 2.683) 5.617 8.987 ( -2.610 0.000 -0.659) 2.692 9.095 ( 0.645 0.000 0.298) 0.711 9.166 ( -5.484 0.000 -5.983) 8.116 9.251 ( 9.725 0.000 -3.790) 10.437 9.397 ( -4.759 0.000 -7.424) 8.818 9.490 ( -2.108 0.000 -2.765) 3.477 9.683 ( 0.551 0.000 -9.689) 9.705 9.769 ( 9.136 0.000 -0.344) 9.142 10.019 ( 4.512 0.000 -8.837) 9.922 10.114 ( -0.158 0.000 -3.326) 3.330 10.191 ( -0.464 0.000 0.138) 0.484 10.447 ( 2.404 0.000 1.886) 3.056 10.513 ( 4.156 0.000 7.338) 8.433 10.731 ( -0.776 0.000 6.053) 6.103 10.954 ( -0.709 0.000 9.155) 9.182 11.082 ( -5.059 0.000 7.155) 8.763 11.249 ( 1.360 0.000 12.251) 12.327 11.458 ( 1.142 0.000 0.886) 1.446 11.503 ( -4.878 0.000 5.065) 7.032 11.813 ( -0.115 0.000 8.013) 8.014 11.889 ( -3.924 0.000 2.965) 4.918 12.015 ( 4.921 0.000 10.602) 11.689 12.342 ( 2.832 0.000 2.171) 3.568 12.578 ( 1.492 0.000 -1.586) 2.178 12.696 ( 3.901 0.000 -4.323) 5.823 12.822 ( -0.929 0.000 -8.700) 8.749 13.063 ( -7.139 0.000 -8.344) 10.982 13.161 ( -3.506 0.000 1.734) 3.911 13.382 ( -4.039 0.000 -5.655) 6.950 13.516 ( 4.913 0.000 -5.877) 7.660 13.713 ( -3.926 0.000 -1.950) 4.384 13.936 ( -1.871 0.000 -2.303) 2.967 14.060 ( -1.532 0.000 -7.395) 7.552 14.300 ( 1.231 0.000 -10.413) 10.485 14.729 ( -0.616 0.000 6.653) 6.682 14.971 ( -3.681 0.000 1.413) 3.943 15.300 ( 2.143 0.000 7.513) 7.813 15.564 ( -3.799 0.000 -0.274) 3.809 15.896 ( -0.808 0.000 1.171) 1.423 16.161 ( -1.140 0.000 28.382) 28.405 16.471 ( -7.085 0.000 4.470) 8.377 16.708 ( -4.016 0.000 25.513) 25.827 17.562 ( 8.084 0.000 20.837) 22.350 17.735 ( 10.145 0.000 4.623) 11.149 18.049 ( -3.423 0.000 -0.505) 3.460 18.129 ( 11.609 0.000 7.431) 13.784 18.505 ( 7.863 0.000 4.163) 8.897 18.744 ( 5.872 0.000 0.825) 5.929 18.782 ( 9.113 0.000 -11.768) 14.884 19.213 ( 2.299 0.000 -8.968) 9.258 19.909 ( 7.748 0.000 -3.824) 8.640 20.321 ( 7.481 0.000 -2.900) 8.023 21.659 ( -23.997 0.000 36.029) 43.289 22.934 ( 5.709 0.000 13.475) 14.635 24.470 ( -0.190 0.000 -6.961) 6.964 24.788 ( 5.093 0.000 -9.263) 10.571 26.507 ( -1.002 0.000 0.116) 1.009 27.601 ( 15.767 0.000 6.463) 17.040 28.861 ( -0.001 0.000 2.136) 2.136 29.167 ( -1.527 0.000 -5.314) 5.529 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -2.088 23.033 18.763) 29.782 1.402 ( -1.531 14.097 26.234) 29.821 2.030 ( -1.151 -3.135 7.381) 8.102 2.156 ( 0.811 8.357 -2.857) 8.869 2.337 ( 1.846 -12.842 7.764) 15.119 2.457 ( -1.520 2.496 3.491) 4.553 2.539 ( -3.306 11.292 42.978) 44.559 2.786 ( 0.758 -0.075 -0.382) 0.852 2.840 ( 0.673 2.262 -3.211) 3.985 2.959 ( -3.103 4.697 1.975) 5.966 3.050 ( 0.078 0.334 11.771) 11.776 3.131 ( -1.165 1.106 4.242) 4.536 3.473 ( -0.100 13.496 12.355) 18.298 3.530 ( 0.186 -8.985 -1.997) 9.206 3.674 ( 1.016 0.979 2.034) 2.475 3.879 ( 0.121 -9.727 21.719) 23.798 3.977 ( -0.306 -9.830 29.061) 30.680 4.111 ( -0.112 -4.485 22.337) 22.783 4.148 ( -2.182 -13.661 11.665) 18.096 4.436 ( 2.153 -3.245 12.287) 12.890 4.475 ( -0.794 -1.373 11.987) 12.092 4.614 ( -1.296 -10.374 -2.216) 10.686 4.708 ( 2.397 -4.016 -8.944) 10.093 4.791 ( 0.868 -9.962 -0.426) 10.009 5.059 ( 2.773 3.374 0.482) 4.394 5.163 ( -1.016 -0.102 -1.634) 1.927 5.269 ( -1.031 2.724 1.006) 3.082 5.370 ( 1.540 0.936 1.514) 2.354 5.417 ( -4.423 3.503 -3.941) 6.882 5.464 ( 0.607 0.954 -1.609) 1.966 5.640 ( 0.966 5.716 -10.555) 12.042 5.709 ( 3.484 2.264 -10.839) 11.608 5.788 ( -1.924 5.361 -6.316) 8.505 5.953 ( -2.205 4.932 -2.974) 6.167 6.069 ( 0.543 0.205 -5.543) 5.573 6.210 ( -0.194 -1.954 -1.744) 2.627 6.509 ( 0.739 12.051 0.515) 12.085 6.788 ( -0.130 -0.309 -1.585) 1.620 6.918 ( 0.496 6.498 -3.107) 7.219 7.229 ( -1.948 -4.207 -6.802) 8.232 7.439 ( -1.521 -3.587 7.351) 8.320 7.558 ( 0.895 -4.404 3.301) 5.576 7.764 ( -1.317 -1.338 9.289) 9.477 7.842 ( 0.529 -1.078 -0.686) 1.383 8.149 ( -1.570 5.779 -1.620) 6.204 8.293 ( 3.192 3.249 -8.022) 9.225 8.456 ( 0.239 1.204 -14.776) 14.827 8.580 ( 0.596 -1.404 -1.673) 2.264 8.866 ( -1.371 -0.148 0.950) 1.674 9.083 ( -1.608 0.097 -1.389) 2.127 9.171 ( -0.440 -0.379 -3.266) 3.317 9.255 ( -2.744 -4.313 -7.300) 8.912 9.389 ( -0.777 1.048 -8.307) 8.409 9.554 ( 2.854 4.601 -10.639) 11.937 9.630 ( 2.806 -4.085 -5.107) 7.117 9.824 ( 2.149 -4.653 -11.966) 13.018 9.991 ( -4.658 -1.276 -3.723) 6.098 10.073 ( -1.467 -3.866 -3.476) 5.401 10.242 ( 1.492 1.300 -2.453) 3.151 10.461 ( 5.494 -6.739 0.521) 8.710 10.627 ( -0.667 5.715 9.045) 10.720 10.847 ( 8.222 0.680 6.850) 10.723 10.974 ( -8.280 5.040 5.362) 11.078 11.041 ( 5.995 4.168 13.912) 15.711 11.287 ( 2.806 -1.775 8.340) 8.977 11.332 ( -6.087 -3.952 4.507) 8.543 11.506 ( 2.199 -0.077 8.685) 8.959 11.634 ( -4.719 -2.389 9.025) 10.460 11.914 ( -0.643 -0.268 6.361) 6.399 12.119 ( 0.501 -5.889 8.407) 10.277 12.343 ( 1.764 2.096 2.150) 3.482 12.548 ( 1.164 -3.258 -2.289) 4.149 12.729 ( -5.030 3.387 -4.257) 7.409 12.836 ( 3.135 1.354 -0.466) 3.446 12.950 ( -1.460 0.678 -4.388) 4.673 13.155 ( 1.444 0.530 -2.082) 2.589 13.400 ( -1.502 6.372 -8.152) 10.456 13.554 ( -0.842 2.811 -10.960) 11.346 13.783 ( -0.111 3.953 -2.786) 4.838 13.900 ( -1.137 -1.073 -3.107) 3.478 14.027 ( -0.684 0.051 -4.831) 4.880 14.240 ( 0.807 -6.597 -6.289) 9.150 14.666 ( 1.567 -1.847 9.747) 10.044 15.003 ( -0.567 -7.071 -0.280) 7.099 15.263 ( 1.679 6.125 4.345) 7.695 15.543 ( 1.095 -1.649 0.972) 2.205 15.944 ( -1.864 4.474 0.813) 4.914 16.180 ( -2.556 -0.230 13.557) 13.798 16.293 ( -4.074 1.127 18.932) 19.398 16.592 ( -0.951 -5.354 24.831) 25.420 17.680 ( 0.843 1.918 18.658) 18.776 17.803 ( -1.421 -2.635 6.839) 7.466 18.058 ( 2.437 3.097 -7.061) 8.086 18.220 ( 0.422 -3.073 1.172) 3.316 18.701 ( 5.419 2.587 1.274) 6.139 18.775 ( -3.016 1.174 -1.296) 3.486 18.996 ( 4.964 2.554 -10.689) 12.059 19.169 ( -1.685 -3.162 -11.022) 11.590 19.911 ( -19.382 6.923 -0.029) 20.581 20.189 ( -14.620 -3.086 -3.442) 15.334 21.613 ( 14.245 6.518 43.713) 46.435 22.560 ( 9.616 -35.611 31.027) 48.200 24.559 ( -0.971 6.545 -11.584) 13.340 24.806 ( 0.273 -3.750 -9.158) 9.900 26.703 ( -1.087 16.086 -2.842) 16.371 27.581 ( 3.415 -21.278 0.178) 21.551 28.981 ( 2.564 4.289 0.408) 5.013 29.063 ( -6.149 1.617 -3.118) 7.081 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 4.342 15.480 20.155) 25.781 1.522 ( 11.535 14.903 21.192) 28.360 2.017 ( -0.831 -3.488 6.097) 7.073 2.189 ( 2.220 0.839 5.342) 5.846 2.298 ( -0.992 -1.293 1.099) 1.966 2.513 ( 4.289 -0.199 5.547) 7.015 2.620 ( 4.544 8.962 21.012) 23.291 2.765 ( 0.706 2.556 9.219) 9.593 2.830 ( -2.676 0.728 -4.970) 5.691 2.930 ( 0.867 5.308 7.368) 9.122 3.047 ( 0.990 2.075 10.168) 10.424 3.173 ( 4.893 0.455 8.802) 10.081 3.374 ( -7.105 11.210 11.372) 17.477 3.534 ( -1.856 -6.256 0.938) 6.593 3.656 ( -0.753 -0.068 3.250) 3.336 3.847 ( -3.752 -4.502 11.608) 13.004 3.932 ( -4.043 -7.026 32.428) 33.426 4.050 ( -4.307 -1.485 24.787) 25.202 4.086 ( -4.705 -12.880 9.297) 16.567 4.313 ( -9.811 -3.383 8.149) 13.195 4.412 ( -4.037 -8.052 13.920) 16.580 4.584 ( -4.248 -9.375 4.619) 11.282 4.725 ( -0.390 -5.910 -4.605) 7.503 4.816 ( -0.055 -7.594 -4.164) 8.660 5.057 ( -4.144 2.665 -1.622) 5.187 5.136 ( 0.887 1.096 0.162) 1.419 5.262 ( -0.780 4.977 0.962) 5.129 5.359 ( 1.447 2.330 -2.284) 3.569 5.475 ( 7.818 0.196 -5.726) 9.692 5.551 ( 4.508 -1.801 -4.545) 6.650 5.680 ( -0.584 5.495 -4.137) 6.903 5.776 ( 6.127 2.369 -7.385) 9.883 5.868 ( 7.109 3.880 -8.138) 11.481 5.932 ( 0.603 2.597 -4.300) 5.060 6.079 ( 1.004 2.507 -3.387) 4.332 6.184 ( -1.815 -2.446 -2.788) 4.129 6.541 ( 2.309 10.963 0.217) 11.205 6.785 ( -0.397 1.079 -2.558) 2.804 6.921 ( -0.071 4.469 -1.211) 4.631 7.163 ( -3.897 -3.150 -6.623) 8.304 7.397 ( -1.916 -4.435 7.493) 8.915 7.534 ( -2.281 -5.465 2.587) 6.462 7.752 ( -0.323 2.664 7.746) 8.198 7.873 ( 1.555 -0.751 -1.035) 2.013 8.127 ( -0.184 5.469 0.959) 5.555 8.370 ( 3.108 1.291 -7.511) 8.231 8.424 ( -2.376 2.653 -10.900) 11.467 8.615 ( 0.679 0.242 -1.359) 1.539 8.822 ( -2.359 -0.516 -2.817) 3.711 9.044 ( -1.421 -0.286 1.693) 2.229 9.158 ( -2.369 -3.266 -7.675) 8.671 9.229 ( 0.837 -4.794 -2.647) 5.540 9.384 ( 0.830 3.799 -8.962) 9.769 9.588 ( 1.285 2.103 -11.033) 11.305 9.685 ( 0.064 -0.348 -4.823) 4.836 9.811 ( -5.348 -1.305 -3.700) 6.633 9.905 ( 0.584 -2.305 -5.716) 6.191 10.051 ( -1.170 -5.673 -3.789) 6.921 10.260 ( 0.908 1.554 -1.190) 2.158 10.454 ( -4.789 -5.688 2.560) 7.864 10.591 ( -1.658 8.790 9.999) 13.416 10.902 ( 2.344 1.306 1.692) 3.172 11.003 ( 1.842 -0.342 8.779) 8.976 11.171 ( 3.440 -0.182 2.648) 4.345 11.243 ( 3.266 2.310 9.186) 10.019 11.388 ( 5.244 -4.857 11.776) 13.776 11.482 ( -6.058 1.981 16.130) 17.344 11.580 ( 1.200 0.205 6.498) 6.611 11.886 ( -1.852 -1.371 7.762) 8.097 12.105 ( -1.732 -6.074 4.573) 7.798 12.321 ( -4.043 1.575 0.453) 4.362 12.539 ( -1.821 -4.493 2.178) 5.314 12.645 ( -0.037 2.359 -7.687) 8.041 12.775 ( -4.432 -1.022 -4.935) 6.711 13.063 ( 3.157 3.832 -4.937) 7.002 13.301 ( 12.141 0.609 -4.875) 13.097 13.400 ( -1.271 3.367 -4.602) 5.842 13.496 ( -0.066 4.452 -11.746) 12.562 13.768 ( -2.005 1.612 -2.272) 3.432 13.857 ( -1.307 -3.248 -2.930) 4.566 14.051 ( 2.144 1.098 -4.414) 5.029 14.251 ( 0.352 -6.457 -5.976) 8.805 14.745 ( 5.542 -3.568 7.644) 10.093 14.993 ( -0.611 -8.617 4.341) 9.668 15.321 ( 4.586 11.807 1.245) 12.727 15.544 ( -0.781 1.239 0.146) 1.472 15.918 ( -1.347 1.823 2.576) 3.431 16.123 ( -1.587 -4.583 5.038) 6.993 16.276 ( 1.785 5.463 29.187) 29.747 16.607 ( 2.037 -5.405 24.181) 24.861 17.547 ( -14.109 3.479 18.730) 23.706 17.721 ( -4.717 -2.770 10.143) 11.524 18.130 ( -4.121 -0.883 2.248) 4.777 18.163 ( 0.424 -1.266 -2.935) 3.224 18.616 ( -10.757 5.101 -0.021) 11.905 18.715 ( -3.640 0.439 -0.731) 3.739 19.006 ( -5.132 1.017 -8.898) 10.323 19.117 ( -4.603 -2.566 -10.659) 11.890 19.433 ( -17.776 10.079 14.089) 24.821 19.898 ( -10.889 -6.273 6.412) 14.108 22.073 ( 25.701 5.351 29.884) 39.777 22.791 ( 10.556 -25.408 17.154) 32.423 24.519 ( -2.861 6.193 -11.280) 13.183 24.762 ( -4.479 -3.617 -8.972) 10.661 26.664 ( -2.431 14.567 -1.486) 14.843 27.500 ( -10.388 -19.515 -0.211) 22.108 28.900 ( -5.554 6.189 -0.140) 8.317 29.068 ( 2.437 -0.757 0.136) 2.556 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 12.670 6.069 14.361) 20.090 1.829 ( 16.570 9.434 17.021) 25.559 1.997 ( 0.650 -0.847 7.446) 7.522 2.261 ( 4.448 -7.333 9.109) 12.511 2.347 ( 4.110 9.252 -2.069) 10.333 2.507 ( -4.127 3.823 2.423) 6.125 2.632 ( -0.301 0.498 -0.497) 0.765 2.758 ( -2.237 2.657 1.549) 3.804 2.837 ( 2.477 5.142 0.112) 5.709 2.903 ( -2.313 2.012 -0.861) 3.184 3.136 ( 1.273 2.521 13.425) 13.718 3.273 ( -0.562 2.709 13.446) 13.727 3.349 ( 3.044 1.749 14.593) 15.009 3.484 ( 3.155 -1.334 13.271) 13.705 3.598 ( -1.389 3.600 3.878) 5.471 3.805 ( -2.483 -4.446 6.848) 8.534 3.844 ( -3.027 -1.234 26.688) 26.887 3.914 ( -6.457 2.060 15.938) 17.319 3.993 ( -4.594 -1.138 16.134) 16.814 4.112 ( -9.649 -1.097 16.799) 19.404 4.368 ( -3.319 -13.442 7.869) 15.926 4.454 ( -4.334 -11.216 6.709) 13.769 4.672 ( -6.169 -9.791 4.970) 12.595 4.729 ( -4.771 -8.490 -3.429) 10.325 5.069 ( 4.119 4.936 -5.853) 8.694 5.169 ( 2.513 2.046 -2.183) 3.907 5.253 ( 1.649 4.887 0.575) 5.189 5.446 ( 4.368 0.080 -2.889) 5.238 5.530 ( -3.492 1.226 -3.535) 5.118 5.590 ( 0.169 -2.615 -4.862) 5.523 5.722 ( 4.353 3.724 -2.807) 6.379 5.868 ( 3.594 -0.215 -1.728) 3.994 5.986 ( 4.884 2.014 -4.404) 6.878 6.000 ( 3.122 -0.034 -7.308) 7.947 6.122 ( 0.358 1.587 -2.173) 2.715 6.162 ( 2.479 -0.357 -6.761) 7.210 6.597 ( 3.065 8.757 0.090) 9.279 6.778 ( 0.047 2.180 -2.842) 3.582 6.919 ( -0.122 0.709 -0.660) 0.977 7.089 ( -3.073 -2.955 -5.928) 7.302 7.384 ( 0.643 -3.058 7.749) 8.355 7.506 ( 0.137 -4.495 1.919) 4.889 7.742 ( -0.477 6.501 6.224) 9.012 7.883 ( -0.533 0.007 -1.006) 1.138 8.122 ( -1.338 2.329 1.965) 3.328 8.350 ( -2.756 0.876 -7.211) 7.769 8.423 ( -0.711 0.773 -7.685) 7.756 8.538 ( -6.001 7.020 6.009) 11.018 8.792 ( -1.751 -2.144 -6.897) 7.431 9.021 ( -1.398 -3.369 1.319) 3.879 9.113 ( -1.559 -4.129 -4.783) 6.508 9.246 ( 0.349 -2.561 0.128) 2.588 9.414 ( 1.494 3.894 -6.590) 7.799 9.600 ( -1.775 1.896 -12.412) 12.681 9.625 ( -1.982 -0.270 -8.780) 9.005 9.718 ( -1.803 2.256 8.012) 8.516 9.914 ( -2.062 -2.245 -5.487) 6.276 10.079 ( 4.358 -5.275 -4.846) 8.385 10.304 ( 3.025 2.016 1.966) 4.133 10.379 ( -0.664 -0.625 3.867) 3.973 10.612 ( 2.553 4.311 6.418) 8.142 10.842 ( -6.764 -1.772 4.982) 8.586 11.060 ( 3.841 1.915 3.824) 5.748 11.232 ( -0.531 1.930 10.524) 10.712 11.268 ( -1.673 0.441 6.376) 6.606 11.362 ( -3.089 0.348 20.769) 21.000 11.494 ( 2.853 -0.700 6.999) 7.591 11.643 ( 5.659 -0.976 6.991) 9.047 11.880 ( 1.113 -2.440 4.629) 5.350 12.035 ( -3.610 -0.120 1.284) 3.834 12.228 ( -2.813 -4.284 -0.011) 5.125 12.538 ( -0.358 -6.652 -3.477) 7.515 12.645 ( -0.842 1.727 -7.281) 7.530 12.728 ( -1.471 -0.414 -5.511) 5.718 13.076 ( 0.765 6.501 -3.259) 7.312 13.301 ( -3.427 3.086 -4.972) 6.781 13.449 ( 1.902 -2.729 -6.686) 7.468 13.585 ( -0.562 -1.723 -7.274) 7.497 13.743 ( 0.531 2.973 0.893) 3.150 13.898 ( 6.942 -4.179 -1.496) 8.240 14.101 ( 2.691 2.640 -7.721) 8.592 14.283 ( 3.758 -4.665 -8.803) 10.648 14.851 ( 3.543 -2.533 7.750) 8.890 15.005 ( 2.961 -5.944 5.714) 8.761 15.420 ( 3.697 10.334 -1.421) 11.067 15.571 ( 4.940 2.053 3.004) 6.135 15.870 ( -2.796 2.722 2.513) 4.641 16.134 ( 1.775 -5.998 6.062) 8.711 16.351 ( 5.247 5.026 28.230) 29.150 16.660 ( 2.673 -5.132 25.076) 25.735 17.229 ( -14.725 5.431 22.401) 27.352 17.550 ( -12.706 -7.843 20.380) 25.264 17.949 ( -8.155 6.575 6.684) 12.426 18.193 ( -1.246 -3.773 -4.409) 5.935 18.414 ( -8.025 6.363 0.125) 10.242 18.609 ( -5.875 -2.018 0.135) 6.214 18.813 ( -11.414 1.429 -2.178) 11.708 18.943 ( -10.641 -1.447 -6.326) 12.463 19.298 ( 0.214 8.226 4.307) 9.288 19.785 ( -1.335 -8.291 5.229) 9.893 22.558 ( 20.746 3.688 21.446) 30.066 22.965 ( 6.956 -12.152 10.671) 17.605 24.449 ( -3.688 4.399 -9.510) 11.108 24.639 ( -7.015 -2.745 -9.568) 12.177 26.614 ( -2.421 11.176 -0.856) 11.467 27.253 ( -11.877 -12.815 1.156) 17.510 28.830 ( -1.684 6.159 1.005) 6.464 29.088 ( -0.413 -3.580 0.954) 3.728 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 16.301 -1.598 7.561) 18.040 2.014 ( 4.862 -0.535 9.160) 10.385 2.180 ( 10.995 2.422 11.841) 16.339 2.315 ( 2.109 -4.555 5.147) 7.190 2.424 ( 1.669 2.731 4.150) 5.241 2.483 ( 2.890 2.325 2.180) 4.302 2.645 ( 2.479 7.386 0.064) 7.791 2.727 ( 0.608 2.627 -4.707) 5.425 2.840 ( -0.030 4.006 -0.290) 4.017 2.918 ( 2.158 7.071 1.838) 7.618 3.080 ( -7.711 3.976 9.474) 12.846 3.208 ( -4.346 0.393 4.433) 6.221 3.294 ( -8.533 5.715 2.229) 10.509 3.416 ( 2.474 -6.276 6.912) 9.658 3.598 ( -10.637 -1.355 4.987) 11.826 3.722 ( -8.165 2.048 18.279) 20.124 3.818 ( -0.453 2.027 29.405) 29.479 3.848 ( -4.994 2.070 31.339) 31.802 3.970 ( -4.939 2.826 2.676) 6.288 4.108 ( 16.820 4.258 18.657) 25.478 4.228 ( -2.455 -15.400 5.327) 16.479 4.383 ( -3.505 -5.348 5.650) 8.532 4.609 ( -1.882 -9.057 3.722) 9.971 4.734 ( 7.507 -11.260 3.714) 14.034 5.114 ( 0.196 5.052 0.780) 5.116 5.227 ( 1.877 0.591 1.826) 2.685 5.338 ( 3.762 2.179 -0.991) 4.460 5.416 ( -4.287 1.154 -6.199) 7.624 5.489 ( -0.973 -2.280 -3.781) 4.521 5.578 ( 0.584 -2.459 -4.898) 5.512 5.827 ( 3.482 4.116 -2.350) 5.881 5.888 ( -2.320 1.266 -2.755) 3.818 5.991 ( -2.306 0.754 -7.242) 7.638 6.069 ( 4.535 -3.472 -0.619) 5.745 6.145 ( 1.892 0.097 -3.961) 4.391 6.223 ( 1.426 -0.170 -6.555) 6.711 6.665 ( 3.618 5.534 0.105) 6.613 6.795 ( 1.699 2.465 -2.608) 3.970 6.916 ( -0.297 -1.622 -2.804) 3.253 7.048 ( -0.897 -3.289 -4.079) 5.316 7.403 ( 0.875 0.578 6.738) 6.819 7.547 ( 3.406 -3.620 1.506) 5.193 7.738 ( -0.194 6.197 6.454) 8.950 7.863 ( -1.302 -0.650 0.841) 1.681 8.059 ( -3.699 2.735 1.164) 4.745 8.285 ( -6.636 3.742 -8.228) 11.214 8.333 ( -2.051 -0.380 6.926) 7.233 8.489 ( -1.067 1.161 -0.067) 1.578 8.745 ( -1.766 1.419 -3.997) 4.595 8.968 ( -3.629 -6.022 -1.080) 7.113 9.099 ( -0.018 -1.555 -3.951) 4.246 9.244 ( 0.200 2.029 -1.840) 2.746 9.431 ( 0.142 -0.412 -6.532) 6.547 9.555 ( -1.281 0.497 -6.472) 6.616 9.613 ( -0.587 -1.783 -9.226) 9.415 9.716 ( -0.274 -1.967 5.481) 5.830 9.899 ( 2.431 5.944 -4.511) 7.848 10.155 ( 2.224 -2.435 -4.575) 5.640 10.317 ( -0.636 0.447 6.332) 6.380 10.451 ( 4.222 4.890 1.448) 6.621 10.641 ( -0.695 -0.061 1.845) 1.973 10.750 ( -0.754 -3.598 5.669) 6.756 11.040 ( -5.610 2.991 13.921) 15.304 11.152 ( -2.501 6.366 15.238) 16.703 11.263 ( -0.864 -3.284 10.308) 10.852 11.358 ( 1.182 -2.664 15.576) 15.846 11.506 ( -0.731 0.631 6.227) 6.301 11.749 ( 3.133 -4.354 2.519) 5.926 11.933 ( 4.945 -1.423 2.275) 5.626 12.027 ( 2.310 2.259 -4.758) 5.751 12.216 ( 0.740 -4.783 0.477) 4.864 12.486 ( -4.478 -5.390 -6.972) 9.885 12.622 ( -1.179 0.962 -7.007) 7.170 12.665 ( -3.471 -1.035 -5.804) 6.842 13.132 ( 3.840 5.642 -1.649) 7.021 13.297 ( 1.765 0.248 -2.179) 2.815 13.429 ( -2.736 0.238 -6.259) 6.835 13.484 ( -6.042 -1.681 -4.584) 7.768 13.789 ( 3.490 2.903 1.726) 4.857 14.000 ( 1.241 -5.019 -2.809) 5.884 14.163 ( 3.131 5.308 -8.333) 10.364 14.408 ( 6.964 -4.222 -11.222) 13.865 14.895 ( 2.242 3.137 8.389) 9.233 15.101 ( 4.833 -4.870 4.936) 8.452 15.492 ( 3.737 4.199 -1.025) 5.714 15.662 ( 0.560 -0.271 6.212) 6.243 15.876 ( 5.801 4.260 5.799) 9.243 16.170 ( 1.488 -7.346 5.946) 9.567 16.484 ( 7.480 4.406 24.797) 26.272 16.700 ( 0.849 -3.091 26.291) 26.485 17.005 ( -6.933 5.254 25.330) 26.782 17.270 ( -12.825 -5.714 25.268) 28.906 17.826 ( -4.752 7.736 3.473) 9.721 18.112 ( -5.423 0.794 -4.017) 6.795 18.286 ( -5.351 0.221 1.333) 5.519 18.487 ( -6.010 -3.771 -3.736) 8.019 18.622 ( -6.618 0.256 0.958) 6.692 18.720 ( -10.358 -2.070 -2.031) 10.756 19.346 ( 3.847 7.957 -0.831) 8.877 19.797 ( 1.713 -8.067 2.703) 8.678 22.891 ( 11.482 2.283 17.065) 20.695 23.091 ( 5.406 -4.503 10.394) 12.551 24.382 ( -2.495 2.339 -7.881) 8.591 24.501 ( -5.911 -1.738 -10.098) 11.829 26.570 ( -1.695 8.341 -1.587) 8.658 27.058 ( -7.065 -9.189 0.166) 11.592 28.817 ( 0.205 5.144 1.227) 5.293 29.063 ( -1.746 -3.780 1.900) 4.577 ======================= Grid point 103 (56/96) ======================= q-point: ( 0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 6.262 -3.194 6.483) 9.563 2.151 ( 5.855 -5.655 5.061) 9.585 2.267 ( 4.562 -1.706 6.115) 7.818 2.403 ( 0.218 -5.636 1.999) 5.984 2.465 ( 4.520 1.978 7.373) 8.872 2.523 ( 0.787 0.388 6.389) 6.449 2.715 ( 4.020 5.924 2.919) 7.731 2.807 ( -3.359 2.766 -0.922) 4.448 2.837 ( 3.233 1.042 -0.482) 3.431 2.903 ( -2.639 4.878 2.346) 6.022 2.950 ( -0.628 6.498 5.650) 8.634 3.043 ( -9.690 8.157 -2.009) 12.824 3.279 ( 6.310 6.073 1.425) 8.872 3.360 ( -0.466 2.833 1.700) 3.336 3.486 ( -9.980 4.650 7.405) 13.268 3.586 ( -5.177 4.424 7.144) 9.869 3.732 ( 0.299 -0.396 29.000) 29.005 3.798 ( -3.872 -1.096 32.979) 33.224 3.877 ( 1.849 0.112 17.566) 17.664 4.066 ( -8.433 -2.729 9.960) 13.332 4.348 ( 6.863 -15.977 1.568) 17.459 4.542 ( -3.449 -11.156 1.644) 11.792 4.674 ( 19.226 3.161 12.892) 23.363 4.903 ( 4.560 -2.966 6.790) 8.700 5.088 ( -0.808 -0.296 5.039) 5.112 5.183 ( -6.520 -2.918 5.365) 8.933 5.337 ( -0.560 0.838 -4.332) 4.448 5.368 ( -1.326 0.400 -3.008) 3.312 5.515 ( 3.704 2.472 -1.844) 4.820 5.626 ( -1.336 -1.057 -6.999) 7.204 5.738 ( -1.313 4.121 -5.635) 7.103 5.850 ( -5.829 1.282 -6.321) 8.693 6.026 ( 4.927 0.005 -2.483) 5.517 6.137 ( -0.790 -1.424 -1.835) 2.454 6.154 ( 0.804 -2.610 -2.481) 3.690 6.226 ( -0.034 -1.626 -6.006) 6.222 6.737 ( 2.778 2.203 -0.122) 3.548 6.827 ( 0.315 -0.647 -3.401) 3.477 6.912 ( 0.966 0.994 -3.834) 4.077 7.041 ( -0.175 -2.423 -4.264) 4.908 7.434 ( 2.478 2.469 4.806) 5.945 7.603 ( 1.044 -3.605 2.340) 4.423 7.718 ( -1.381 2.903 6.942) 7.650 7.811 ( -3.512 -1.119 4.497) 5.815 8.043 ( 1.300 4.236 -1.068) 4.558 8.162 ( -2.890 5.915 1.216) 6.695 8.337 ( 1.007 -0.560 3.729) 3.903 8.455 ( -1.349 -5.183 -2.989) 6.134 8.742 ( 1.091 3.320 -4.002) 5.313 8.893 ( -3.154 -6.146 0.458) 6.923 9.102 ( 0.352 1.728 -9.223) 9.390 9.275 ( 2.758 1.893 0.215) 3.352 9.433 ( 0.722 -1.386 -9.074) 9.208 9.533 ( -1.112 -0.386 -6.460) 6.567 9.609 ( -0.008 -2.867 -2.088) 3.547 9.685 ( -1.890 -1.359 1.216) 2.626 9.988 ( 4.448 7.624 -3.404) 9.461 10.152 ( -2.051 -1.452 -3.621) 4.407 10.310 ( -0.632 2.831 4.087) 5.012 10.452 ( -2.403 7.658 1.380) 8.144 10.653 ( 0.906 -3.661 5.694) 6.830 10.735 ( -1.719 -3.724 1.441) 4.347 10.985 ( 1.315 4.659 20.896) 21.450 11.109 ( -1.572 4.916 18.146) 18.865 11.233 ( -2.322 -2.615 11.049) 11.589 11.374 ( 0.239 -4.986 13.585) 14.473 11.496 ( 0.099 -2.183 5.437) 5.860 11.788 ( 1.290 -4.186 3.047) 5.335 12.055 ( 5.142 1.149 -1.984) 5.630 12.074 ( 2.107 -0.559 -5.709) 6.111 12.228 ( 0.270 -4.146 -1.724) 4.498 12.389 ( -4.108 -4.705 -5.910) 8.598 12.583 ( -2.205 1.885 -4.996) 5.777 12.645 ( 1.439 -1.237 -7.995) 8.217 13.193 ( 1.077 3.432 -0.297) 3.609 13.293 ( -3.178 0.178 -4.359) 5.398 13.359 ( -0.908 2.751 -5.331) 6.067 13.449 ( 1.358 0.932 -2.135) 2.696 13.868 ( 3.971 -0.253 -0.837) 4.066 13.981 ( -2.158 -2.822 -3.097) 4.713 14.208 ( 1.161 7.438 -7.860) 10.883 14.493 ( 0.956 -3.533 -9.867) 10.524 14.970 ( 4.595 4.870 8.141) 10.540 15.159 ( 0.310 -2.555 5.175) 5.780 15.473 ( -5.822 2.055 -2.158) 6.540 15.700 ( 4.389 -4.684 9.481) 11.450 16.048 ( 8.296 0.490 5.926) 10.207 16.198 ( 2.005 -5.362 9.659) 11.228 16.618 ( 3.315 4.096 23.202) 23.793 16.713 ( 2.107 0.345 24.909) 25.000 16.936 ( -0.847 3.075 27.932) 28.114 17.082 ( -5.090 -2.288 23.510) 24.163 17.729 ( -4.727 7.074 0.212) 8.511 18.031 ( -1.716 4.363 -2.040) 5.113 18.180 ( -4.874 -5.405 0.316) 7.285 18.379 ( -3.924 -3.721 -4.748) 7.197 18.540 ( -1.699 -0.935 1.186) 2.273 18.581 ( -2.244 -2.354 0.207) 3.259 19.436 ( 4.705 7.536 -2.349) 9.189 19.839 ( 2.235 -6.998 1.912) 7.591 23.025 ( 2.234 1.924 14.062) 14.368 23.154 ( -0.592 -2.455 12.114) 12.375 24.364 ( 1.000 1.199 -7.452) 7.614 24.421 ( -1.493 -0.738 -9.047) 9.199 26.550 ( -0.190 6.960 -2.593) 7.430 26.966 ( -2.070 -7.781 -1.133) 8.131 28.835 ( 1.473 3.941 0.997) 4.323 29.028 ( -1.550 -2.971 2.519) 4.193 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.109 ( -2.412 0.527 8.808) 9.147 2.217 ( -7.895 -4.384 3.067) 9.537 2.300 ( 0.799 -3.348 3.193) 4.695 2.383 ( -3.439 -3.429 5.681) 7.474 2.436 ( 0.634 -3.143 3.055) 4.429 2.561 ( -1.082 -1.885 3.458) 4.084 2.721 ( -4.254 3.825 3.551) 6.733 2.778 ( -2.060 2.958 2.570) 4.427 2.847 ( 3.275 2.248 0.509) 4.005 2.883 ( -0.343 7.594 4.969) 9.082 2.987 ( 4.390 7.849 -0.663) 9.017 3.036 ( 8.490 3.945 -0.394) 9.370 3.262 ( -3.609 2.994 -0.367) 4.704 3.368 ( -6.040 7.193 1.949) 9.593 3.489 ( 12.292 6.216 7.628) 15.745 3.596 ( 6.580 2.717 10.710) 12.860 3.719 ( -0.090 -1.050 22.116) 22.141 3.803 ( 3.154 -0.352 36.878) 37.014 3.872 ( -0.920 1.976 20.104) 20.222 4.081 ( 6.574 -5.258 6.423) 10.589 4.371 ( -4.007 -14.227 3.737) 15.245 4.520 ( -1.019 -8.126 4.755) 9.470 4.717 ( -11.328 1.758 7.128) 13.499 4.946 ( -5.404 -7.934 9.306) 13.370 5.095 ( 5.485 2.759 4.747) 7.761 5.170 ( 5.354 -1.259 7.218) 9.075 5.333 ( -0.367 0.782 -1.790) 1.988 5.366 ( 0.189 -0.484 -5.942) 5.965 5.496 ( -3.758 2.561 -3.362) 5.656 5.622 ( 0.924 0.445 -7.539) 7.609 5.711 ( -1.988 4.394 -5.942) 7.652 5.849 ( 6.342 -0.751 -4.426) 7.770 6.043 ( -4.993 0.352 -1.660) 5.273 6.116 ( 0.664 -0.381 -3.172) 3.263 6.144 ( -1.372 -2.433 -1.230) 3.052 6.247 ( 1.288 -2.879 -5.901) 6.691 6.713 ( -4.643 2.568 1.142) 5.427 6.847 ( 2.170 -2.432 -5.424) 6.328 6.939 ( -0.312 2.122 -2.739) 3.479 7.045 ( 1.642 -1.124 -6.637) 6.929 7.478 ( 0.202 1.502 2.767) 3.155 7.597 ( -0.108 -3.213 7.595) 8.247 7.708 ( 0.485 1.819 4.720) 5.081 7.766 ( -0.479 -0.555 3.223) 3.305 8.042 ( 0.029 5.093 -0.357) 5.106 8.181 ( 2.064 5.162 1.748) 5.827 8.357 ( 1.301 0.653 2.810) 3.164 8.467 ( 1.965 -5.346 -4.871) 7.494 8.760 ( 0.668 1.436 -5.546) 5.768 8.874 ( 1.802 -4.929 3.758) 6.455 9.117 ( 1.199 0.173 -11.162) 11.227 9.338 ( 2.988 0.767 -0.304) 3.100 9.464 ( 1.204 -0.523 -7.524) 7.638 9.516 ( -0.164 -0.015 -3.949) 3.952 9.588 ( -1.170 0.000 -0.655) 1.340 9.682 ( 1.476 -3.248 -0.660) 3.628 10.005 ( -2.896 4.273 -6.377) 8.205 10.144 ( 1.561 -0.534 0.051) 1.650 10.247 ( -4.903 7.761 -0.916) 9.226 10.438 ( 0.546 3.503 5.385) 6.447 10.604 ( -4.306 1.203 5.308) 6.940 10.741 ( 1.624 -3.614 6.276) 7.422 11.027 ( 0.619 5.761 17.297) 18.242 11.109 ( 2.109 1.504 14.390) 14.621 11.169 ( -3.696 -2.086 11.161) 11.941 11.384 ( 0.910 -5.553 14.051) 15.136 11.507 ( 0.782 -4.887 3.540) 6.085 11.810 ( 0.949 -3.927 5.135) 6.534 12.035 ( -3.636 2.453 -3.311) 5.496 12.168 ( 2.496 -2.522 -3.171) 4.759 12.241 ( 1.893 -4.422 -4.930) 6.888 12.338 ( -0.588 -4.814 -1.877) 5.200 12.561 ( 0.153 4.367 -5.334) 6.895 12.696 ( 3.201 -0.969 -8.619) 9.245 13.153 ( -3.407 3.178 -0.928) 4.751 13.251 ( -0.246 0.341 -3.722) 3.746 13.393 ( 2.283 2.734 -5.212) 6.313 13.473 ( 0.486 -0.186 -1.231) 1.336 13.897 ( -2.410 0.038 -2.768) 3.670 13.975 ( 2.775 -2.226 -2.458) 4.325 14.208 ( -0.921 8.106 -8.227) 11.586 14.456 ( -4.249 -2.009 -8.538) 9.746 15.021 ( -2.519 3.125 6.951) 8.027 15.121 ( -1.289 -1.134 5.749) 6.000 15.366 ( -3.776 2.669 0.696) 4.676 15.744 ( -1.304 -10.020 4.538) 11.077 16.127 ( 0.777 0.485 8.764) 8.812 16.293 ( 4.636 -0.654 5.152) 6.961 16.620 ( -0.495 2.238 27.829) 27.923 16.767 ( 0.737 -0.486 21.354) 21.372 16.963 ( 3.596 2.229 29.153) 29.458 17.071 ( 3.579 -0.573 21.666) 21.967 17.678 ( 0.922 6.711 1.020) 6.850 18.004 ( -1.817 2.946 -2.472) 4.254 18.153 ( 3.713 -3.987 0.317) 5.457 18.348 ( 0.631 -2.166 -2.281) 3.208 18.539 ( 1.356 -0.650 -0.913) 1.759 18.635 ( 6.996 -3.689 -0.416) 7.920 19.531 ( 4.680 6.750 -2.189) 8.501 19.885 ( 2.410 -5.921 2.020) 6.704 23.002 ( -4.717 -0.228 13.482) 14.285 23.042 ( -9.889 -1.405 12.283) 15.831 24.406 ( 2.504 1.352 -7.329) 7.862 24.450 ( 4.104 -0.062 -7.828) 8.839 26.564 ( 1.500 6.900 -2.815) 7.601 26.971 ( 2.468 -7.473 -1.347) 7.984 28.874 ( 2.197 2.751 0.304) 3.534 29.008 ( -0.217 -2.031 3.068) 3.686 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -15.825 0.702 7.685) 17.607 2.047 ( -3.974 2.000 10.752) 11.636 2.230 ( -2.622 0.058 4.074) 4.845 2.344 ( -10.787 0.040 10.191) 14.839 2.397 ( -2.713 -0.051 -0.895) 2.858 2.543 ( 1.451 -5.785 -0.390) 5.977 2.637 ( -2.696 7.855 -1.719) 8.481 2.706 ( -1.535 4.502 -2.759) 5.499 2.863 ( 1.239 6.408 0.214) 6.530 2.986 ( 0.655 4.152 1.449) 4.446 3.074 ( 10.150 5.049 6.969) 13.307 3.205 ( 2.869 -1.235 4.373) 5.374 3.287 ( 8.135 1.682 3.158) 8.887 3.418 ( 3.816 -1.676 3.121) 5.207 3.577 ( 3.707 -2.293 10.293) 11.178 3.734 ( 8.925 2.859 16.819) 19.254 3.808 ( 2.096 0.883 31.139) 31.222 3.869 ( 3.743 1.440 31.783) 32.035 3.969 ( 2.812 1.284 1.421) 3.402 4.063 ( -9.400 -1.292 13.831) 16.773 4.287 ( -2.625 -2.574 8.831) 9.566 4.403 ( 1.575 -7.885 6.993) 10.656 4.628 ( -2.125 -6.813 6.659) 9.761 4.816 ( -2.862 -11.695 1.898) 12.189 5.181 ( 0.295 4.062 0.782) 4.147 5.225 ( -0.585 0.863 4.756) 4.869 5.314 ( -0.211 0.689 -1.376) 1.553 5.337 ( -4.348 0.244 -4.386) 6.181 5.478 ( 0.704 1.378 -8.216) 8.360 5.573 ( 2.047 -1.499 -4.598) 5.252 5.803 ( 2.313 4.147 -4.576) 6.595 5.908 ( -1.834 -1.523 0.085) 2.386 5.973 ( 1.120 1.814 -3.611) 4.193 6.061 ( -4.016 -1.404 -2.652) 5.013 6.135 ( -0.948 -1.113 -2.462) 2.864 6.245 ( -1.953 -1.790 -6.398) 6.925 6.616 ( -4.136 6.266 1.350) 7.629 6.872 ( -0.853 -0.335 -5.296) 5.375 6.903 ( -1.180 1.306 -3.233) 3.681 7.107 ( 3.700 -2.884 -7.045) 8.464 7.450 ( -1.776 1.025 5.028) 5.430 7.571 ( -2.772 -1.887 5.472) 6.418 7.755 ( 1.705 0.398 0.333) 1.782 7.784 ( 3.363 -0.011 7.458) 8.181 8.082 ( 3.671 3.411 -2.051) 5.415 8.220 ( 2.628 3.773 -1.068) 4.721 8.380 ( 0.406 3.141 0.004) 3.168 8.495 ( 0.470 1.009 -3.772) 3.932 8.804 ( 3.949 -1.902 -3.554) 5.643 8.945 ( 4.420 -3.426 2.637) 6.183 9.137 ( 0.160 -4.565 -7.985) 9.199 9.390 ( 2.048 1.831 -3.190) 4.210 9.436 ( -2.304 0.156 -1.267) 2.634 9.537 ( 1.362 1.086 -2.543) 3.082 9.606 ( 2.284 0.071 -3.450) 4.139 9.704 ( -1.033 -5.032 -4.818) 7.043 9.943 ( -1.643 3.237 -3.633) 5.136 10.113 ( -3.208 0.981 -0.691) 3.425 10.214 ( 0.985 6.724 0.084) 6.796 10.425 ( -2.452 -0.842 5.696) 6.258 10.536 ( -1.651 4.808 2.765) 5.786 10.774 ( 1.306 -2.021 7.085) 7.482 11.007 ( -1.825 2.546 12.341) 12.732 11.114 ( -0.970 1.547 9.903) 10.069 11.172 ( 2.937 -0.078 11.730) 12.092 11.396 ( 0.160 -8.760 12.574) 15.326 11.535 ( 2.098 -1.549 2.313) 3.486 11.822 ( -0.121 -2.426 6.322) 6.772 11.945 ( -4.910 -0.294 0.781) 4.981 12.149 ( -2.185 -1.220 0.449) 2.542 12.291 ( 0.491 -3.008 -1.920) 3.602 12.360 ( 2.797 -6.632 -1.986) 7.467 12.597 ( 3.434 6.164 -6.617) 9.673 12.758 ( 2.495 -0.094 -8.724) 9.074 13.126 ( 1.882 3.853 -4.049) 5.898 13.265 ( 0.770 0.565 -0.134) 0.965 13.412 ( -0.043 -0.738 -4.296) 4.359 13.449 ( -3.265 -2.528 -2.870) 5.029 13.851 ( -1.095 2.135 -1.400) 2.778 14.007 ( -0.925 -0.748 -4.737) 4.884 14.190 ( -0.417 4.481 -7.775) 8.984 14.338 ( -6.463 -0.579 -8.933) 11.041 14.900 ( -6.466 3.082 6.823) 9.892 15.130 ( 0.524 -3.493 6.776) 7.642 15.286 ( -4.917 2.927 -0.317) 5.731 15.663 ( -5.255 -9.270 0.744) 10.682 16.135 ( -0.591 4.239 5.225) 6.754 16.289 ( -3.522 4.185 9.654) 11.096 16.616 ( -1.824 -2.845 15.287) 15.656 16.760 ( -0.893 -4.527 28.594) 28.964 17.097 ( 10.160 2.296 27.659) 29.556 17.212 ( 9.840 -1.201 20.795) 23.037 17.774 ( 7.623 7.345 5.523) 11.940 18.006 ( 2.501 1.386 -2.358) 3.706 18.273 ( 6.353 -1.373 -1.977) 6.794 18.396 ( 4.372 -1.490 2.003) 5.034 18.596 ( 4.315 2.090 -3.040) 5.677 18.829 ( 11.120 -4.794 -3.055) 12.488 19.635 ( 5.814 5.788 -1.139) 8.282 19.945 ( 3.860 -5.122 2.777) 6.989 22.727 ( -19.379 0.587 15.994) 25.134 22.885 ( -8.055 -5.556 12.663) 16.003 24.464 ( 3.084 2.822 -6.806) 7.987 24.552 ( 5.455 -0.392 -8.817) 10.375 26.606 ( 2.478 8.264 -2.194) 8.902 27.062 ( 6.291 -7.986 0.073) 10.167 28.911 ( 1.173 2.378 0.005) 2.651 29.029 ( 2.470 -1.747 2.608) 3.995 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -13.515 7.286 14.157) 20.884 1.912 ( -13.163 6.442 14.145) 20.368 2.102 ( -4.434 2.539 8.381) 9.816 2.218 ( -2.650 1.656 3.834) 4.946 2.303 ( -4.620 3.877 0.221) 6.035 2.561 ( 0.527 -4.259 0.485) 4.318 2.634 ( 1.668 5.701 1.431) 6.110 2.743 ( 3.332 4.097 -3.055) 6.101 2.845 ( -1.360 1.319 -6.592) 6.859 3.091 ( 5.812 1.287 8.297) 10.212 3.119 ( -1.441 2.371 0.176) 2.780 3.281 ( -0.842 -0.749 19.565) 19.597 3.425 ( 2.931 2.881 6.532) 7.717 3.478 ( -4.458 -1.066 16.172) 16.809 3.563 ( -6.689 3.382 12.534) 14.604 3.703 ( 3.711 -5.945 7.384) 10.180 3.869 ( 6.609 1.291 24.486) 25.395 3.923 ( 4.197 1.807 9.706) 10.728 4.005 ( 5.170 -0.494 28.414) 28.885 4.120 ( 10.556 -1.532 12.289) 16.273 4.354 ( -3.089 -12.236 9.234) 15.638 4.472 ( 10.369 -6.651 3.944) 12.935 4.643 ( 3.459 -9.869 8.195) 13.286 4.810 ( -0.017 -10.212 -3.388) 10.759 5.100 ( -6.718 3.461 -10.477) 12.918 5.183 ( -2.903 0.429 -0.329) 2.953 5.242 ( 0.865 5.811 3.003) 6.598 5.350 ( -0.543 0.067 1.138) 1.263 5.528 ( 2.373 1.990 -8.210) 8.775 5.613 ( 0.296 0.253 -3.792) 3.812 5.733 ( -5.235 4.094 -1.968) 6.931 5.870 ( -4.561 -3.281 -2.249) 6.052 5.949 ( -4.112 2.840 -3.278) 5.976 6.023 ( 0.349 0.967 -4.884) 4.991 6.134 ( 1.268 -0.916 -2.096) 2.615 6.164 ( -5.289 0.182 -7.266) 8.988 6.550 ( -2.519 9.474 1.369) 9.898 6.831 ( -1.930 2.774 -4.817) 5.884 6.899 ( -0.053 0.527 -2.801) 2.851 7.180 ( 3.277 -4.669 -7.298) 9.263 7.426 ( -0.231 -0.080 6.646) 6.650 7.521 ( -1.484 -1.923 3.426) 4.200 7.772 ( 0.841 0.535 2.147) 2.368 7.856 ( 2.105 -0.742 9.088) 9.358 8.138 ( 1.292 1.407 -7.242) 7.490 8.307 ( 3.722 -1.907 -9.094) 10.010 8.375 ( 0.286 7.779 -1.101) 7.862 8.511 ( 2.207 5.202 -0.955) 5.731 8.886 ( 2.632 -4.610 -1.805) 5.607 9.039 ( 5.262 1.648 2.587) 6.091 9.116 ( -1.531 -6.284 -5.689) 8.614 9.402 ( -1.378 6.372 1.579) 6.708 9.423 ( 0.353 -4.347 -7.296) 8.500 9.551 ( -2.099 -0.175 0.124) 2.110 9.608 ( -2.302 -0.322 -9.215) 9.504 9.655 ( 0.930 -0.764 -4.804) 4.952 9.965 ( 2.916 1.066 -4.071) 5.120 10.101 ( 1.446 -0.473 1.533) 2.160 10.219 ( -0.690 3.007 -0.738) 3.173 10.363 ( -2.638 -2.525 2.117) 4.221 10.535 ( 1.649 5.143 2.798) 6.082 10.783 ( -0.616 0.181 7.111) 7.140 10.981 ( -0.698 0.744 11.366) 11.412 11.114 ( 0.339 1.588 8.976) 9.121 11.212 ( 1.201 -0.875 10.367) 10.473 11.414 ( 1.522 -7.730 5.803) 9.785 11.567 ( -0.001 1.493 3.510) 3.814 11.786 ( -4.881 -3.168 2.386) 6.290 11.867 ( 0.369 1.029 10.630) 10.686 12.111 ( -2.642 0.433 5.837) 6.421 12.267 ( -0.778 -2.140 0.383) 2.309 12.440 ( 4.556 -7.554 -3.013) 9.322 12.663 ( 2.050 5.928 -6.319) 8.904 12.802 ( 2.373 0.689 -7.866) 8.245 13.192 ( -1.288 1.775 -1.003) 2.411 13.266 ( 1.065 1.838 -6.473) 6.813 13.356 ( -1.332 -2.812 -0.911) 3.243 13.438 ( 1.822 0.117 -5.853) 6.131 13.846 ( -0.619 1.491 -1.773) 2.398 13.940 ( -3.942 -0.020 -6.571) 7.663 14.145 ( -4.672 0.273 -5.441) 7.177 14.259 ( -0.837 -0.610 -9.756) 9.811 14.784 ( -5.283 2.073 9.223) 10.829 15.121 ( -3.102 -7.429 2.588) 8.457 15.189 ( -1.763 5.569 1.157) 5.955 15.573 ( -3.282 -7.077 -0.551) 7.820 16.077 ( -4.378 8.391 -5.089) 10.746 16.239 ( -1.253 4.314 23.804) 24.225 16.537 ( -5.369 -3.830 8.428) 10.702 16.718 ( -3.340 -6.223 29.335) 30.174 17.348 ( 13.006 1.081 22.138) 25.698 17.456 ( 13.094 -2.671 16.849) 21.505 17.954 ( 9.531 6.537 8.342) 14.253 18.075 ( 2.845 0.771 -2.403) 3.803 18.382 ( 5.247 0.512 -0.496) 5.296 18.537 ( 8.921 -2.595 4.116) 10.161 18.716 ( 7.323 6.110 -6.919) 11.783 19.045 ( 9.099 -4.737 -6.441) 12.113 19.783 ( 9.083 5.322 -0.179) 10.529 20.067 ( 8.691 -4.704 3.321) 10.425 22.257 ( -26.429 3.111 22.257) 34.692 22.695 ( -10.297 -14.779 17.694) 25.249 24.522 ( 2.488 4.331 -7.881) 9.331 24.662 ( 5.258 -1.194 -9.551) 10.968 26.658 ( 2.521 11.154 -1.773) 11.572 27.218 ( 8.901 -9.608 2.816) 13.397 28.922 ( 0.191 3.638 0.771) 3.724 29.098 ( 3.622 -2.537 -0.118) 4.424 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -6.380 15.612 20.056) 26.204 1.595 ( -14.624 15.257 19.583) 28.812 2.076 ( -2.580 -2.410 7.574) 8.356 2.158 ( -0.782 5.953 -2.243) 6.409 2.266 ( 1.626 -3.995 6.289) 7.626 2.531 ( -3.983 -2.278 5.382) 7.072 2.678 ( -0.268 5.479 11.650) 12.877 2.761 ( -3.606 3.194 8.484) 9.757 2.825 ( 1.097 3.273 -6.664) 7.505 3.025 ( -7.369 6.575 13.430) 16.670 3.113 ( -3.801 1.295 12.463) 13.094 3.165 ( -2.149 -1.850 4.947) 5.702 3.379 ( 6.351 7.363 12.175) 15.582 3.542 ( 0.790 -6.627 -0.150) 6.676 3.598 ( 3.385 2.515 3.168) 5.275 3.819 ( 6.627 -6.889 16.067) 18.695 3.952 ( 2.370 -3.322 29.617) 29.896 4.076 ( 2.168 -7.143 28.806) 29.758 4.113 ( 8.342 -4.539 8.168) 12.526 4.288 ( 6.170 -10.637 8.881) 15.169 4.395 ( 7.320 1.558 14.154) 16.010 4.623 ( 3.159 -11.496 2.225) 12.128 4.689 ( -0.102 -5.476 -7.893) 9.607 4.779 ( -0.816 -10.484 -0.548) 10.530 5.041 ( -0.074 4.310 -0.532) 4.343 5.152 ( 0.157 0.836 -0.115) 0.858 5.279 ( 1.706 2.261 0.686) 2.914 5.325 ( -0.191 0.662 -0.605) 0.917 5.527 ( -3.500 1.523 -5.578) 6.759 5.543 ( -6.104 2.107 -5.987) 8.806 5.664 ( -0.839 6.221 -4.655) 7.815 5.737 ( -7.394 1.100 -5.212) 9.113 5.860 ( -4.174 4.086 -6.227) 8.538 6.015 ( -2.796 3.530 -2.743) 5.273 6.062 ( -1.237 0.067 -7.656) 7.755 6.185 ( 2.301 -2.103 -1.795) 3.597 6.513 ( -1.072 11.578 1.010) 11.671 6.800 ( -1.099 0.739 -2.950) 3.234 6.904 ( 0.645 4.580 -3.221) 5.636 7.231 ( 1.532 -4.754 -6.745) 8.393 7.443 ( 1.081 -2.250 6.955) 7.390 7.519 ( 1.409 -3.030 3.398) 4.766 7.784 ( -0.121 -0.598 4.487) 4.528 7.859 ( -1.296 -1.341 6.923) 7.170 8.156 ( 0.810 2.452 -7.437) 7.872 8.288 ( -2.394 3.301 -5.982) 7.240 8.424 ( 2.437 1.898 -13.796) 14.138 8.571 ( 1.922 1.619 0.145) 2.518 8.888 ( -1.187 -2.429 0.053) 2.704 9.088 ( -0.001 -1.086 -2.342) 2.581 9.181 ( 4.619 -1.666 -2.160) 5.364 9.310 ( -4.989 1.955 -4.709) 7.134 9.408 ( -1.659 1.081 -7.433) 7.692 9.504 ( 0.297 2.024 -1.283) 2.414 9.607 ( 0.300 -4.106 -9.792) 10.622 9.734 ( 5.945 -2.667 -6.065) 8.901 10.024 ( 1.536 -0.408 -5.535) 5.758 10.113 ( -1.097 -2.248 -1.527) 2.930 10.205 ( 0.743 2.471 -0.897) 2.732 10.349 ( 2.086 -4.474 2.657) 5.606 10.603 ( 3.997 5.664 5.417) 8.798 10.762 ( -0.420 1.677 6.906) 7.119 10.973 ( 0.477 1.983 11.640) 11.817 11.109 ( -2.284 -0.014 9.665) 9.931 11.238 ( 1.418 0.210 7.690) 7.823 11.424 ( -1.149 -3.917 3.873) 5.627 11.513 ( -4.124 0.944 4.856) 6.440 11.696 ( -2.433 -5.993 6.127) 8.909 11.939 ( 1.337 2.425 7.746) 8.226 12.049 ( 1.355 1.811 9.984) 10.237 12.293 ( 2.348 -2.144 1.575) 3.548 12.521 ( 2.478 -4.963 -3.260) 6.434 12.701 ( 3.063 2.880 -2.188) 4.740 12.834 ( -0.167 0.663 -7.116) 7.149 13.068 ( -7.624 0.302 -1.529) 7.782 13.204 ( -4.293 -1.116 -4.435) 6.273 13.439 ( -0.682 5.408 -5.116) 7.475 13.494 ( 6.358 0.189 -8.483) 10.603 13.793 ( -1.984 5.136 -3.161) 6.349 13.911 ( -0.565 -1.174 -5.887) 6.029 14.064 ( -2.504 -0.079 -4.341) 5.012 14.242 ( -1.026 -5.216 -8.046) 9.644 14.688 ( -3.520 0.383 10.829) 11.393 15.037 ( -3.159 -3.124 -2.139) 4.931 15.220 ( 2.679 0.904 5.211) 5.929 15.532 ( -0.675 -4.093 0.020) 4.148 15.996 ( -3.240 7.713 -2.594) 8.759 16.216 ( -1.368 3.719 23.162) 23.499 16.413 ( -6.596 -3.519 8.920) 11.639 16.642 ( -3.698 -5.777 27.061) 27.917 17.580 ( 8.659 1.505 18.848) 20.796 17.696 ( 9.769 -2.953 8.884) 13.531 18.076 ( -1.398 2.109 -3.947) 4.689 18.142 ( 6.722 0.421 3.993) 7.830 18.529 ( 9.293 2.823 4.612) 10.752 18.719 ( 7.616 -2.573 1.888) 8.258 18.868 ( 7.065 6.809 -11.118) 14.829 19.167 ( 2.709 -4.062 -9.503) 10.684 19.984 ( 8.222 5.979 -3.480) 10.745 20.271 ( 8.005 -4.360 -2.971) 9.587 21.718 ( -22.624 5.883 37.389) 44.096 22.513 ( -5.503 -28.399 29.624) 41.405 24.559 ( 1.037 5.674 -9.962) 11.512 24.759 ( 4.011 -2.566 -9.514) 10.639 26.700 ( 1.361 14.513 -2.594) 14.806 27.417 ( 10.315 -14.133 4.101) 17.971 28.933 ( 1.281 5.337 1.152) 5.608 29.141 ( -0.320 -2.436 -3.469) 4.251 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -1.795 -3.493 16.403) 16.867 1.691 ( -1.795 3.493 16.403) 16.867 1.951 ( -1.421 -7.431 18.623) 20.101 1.951 ( -1.421 7.431 18.623) 20.101 2.438 ( 0.489 -6.251 -3.937) 7.404 2.438 ( 0.489 6.251 -3.937) 7.404 2.770 ( 0.687 -4.031 3.802) 5.584 2.770 ( 0.687 4.031 3.802) 5.584 3.001 ( -2.223 -5.476 15.501) 16.589 3.001 ( -2.223 5.476 15.501) 16.589 3.162 ( -0.713 -11.157 3.698) 11.776 3.162 ( -0.713 11.157 3.698) 11.776 3.341 ( 0.056 -13.941 9.810) 17.047 3.341 ( 0.056 13.941 9.810) 17.047 3.718 ( 1.515 -7.258 14.575) 16.352 3.718 ( 1.515 7.258 14.575) 16.352 3.965 ( -0.579 -10.027 19.854) 22.250 3.965 ( -0.579 10.027 19.854) 22.250 4.181 ( -1.762 -11.246 6.901) 13.312 4.181 ( -1.762 11.246 6.901) 13.312 4.485 ( -0.332 -1.991 11.078) 11.260 4.485 ( -0.332 1.991 11.078) 11.260 4.680 ( 2.247 -0.920 -5.696) 6.192 4.680 ( 2.247 0.920 -5.696) 6.192 5.122 ( 0.295 -2.488 -1.651) 3.001 5.122 ( 0.295 2.488 -1.651) 3.001 5.340 ( 1.767 -2.712 0.150) 3.240 5.340 ( 1.767 2.712 0.150) 3.240 5.462 ( -3.272 -1.045 -2.876) 4.480 5.462 ( -3.272 1.045 -2.876) 4.480 5.722 ( 1.996 -1.494 -11.585) 11.850 5.722 ( 1.996 1.494 -11.585) 11.850 5.933 ( -1.475 -5.003 -1.879) 5.544 5.933 ( -1.475 5.003 -1.879) 5.544 6.145 ( -0.040 -3.921 -2.268) 4.530 6.145 ( -0.040 3.921 -2.268) 4.530 6.718 ( 0.496 -5.835 0.019) 5.856 6.718 ( 0.496 5.835 0.019) 5.856 7.106 ( -0.498 -7.372 -6.267) 9.689 7.106 ( -0.498 7.372 -6.267) 9.689 7.439 ( -1.323 -4.357 8.404) 9.558 7.439 ( -1.323 4.357 8.404) 9.558 7.783 ( 0.359 -2.768 4.281) 5.111 7.783 ( 0.359 2.768 4.281) 5.111 8.282 ( 1.180 -4.617 -5.316) 7.139 8.282 ( 1.180 4.617 -5.316) 7.139 8.510 ( 0.095 -3.556 -10.687) 11.264 8.510 ( 0.095 3.556 -10.687) 11.264 8.991 ( -0.316 -8.364 -1.644) 8.530 8.991 ( -0.316 8.364 -1.644) 8.530 9.169 ( -3.230 -2.488 -3.160) 5.158 9.169 ( -3.230 2.488 -3.160) 5.158 9.473 ( 1.173 -5.624 -7.631) 9.552 9.473 ( 1.173 5.624 -7.631) 9.552 9.712 ( 2.875 -5.576 -9.474) 11.362 9.712 ( 2.875 5.576 -9.474) 11.362 9.997 ( -3.234 -2.088 -3.747) 5.372 9.997 ( -3.234 2.088 -3.747) 5.372 10.312 ( 2.433 -5.098 -1.187) 5.772 10.312 ( 2.433 5.098 -1.187) 5.772 10.780 ( 2.148 -5.911 8.549) 10.613 10.780 ( 2.148 5.911 8.549) 10.613 11.077 ( 1.469 -2.915 12.058) 12.492 11.077 ( 1.469 2.915 12.058) 12.492 11.255 ( -2.338 -0.708 6.086) 6.558 11.255 ( -2.338 0.708 6.086) 6.558 11.562 ( 0.363 -3.838 11.592) 12.217 11.562 ( 0.363 3.838 11.592) 12.217 11.968 ( -2.267 -5.451 4.451) 7.393 11.968 ( -2.267 5.451 4.451) 7.393 12.448 ( 1.274 -5.637 -0.091) 5.780 12.448 ( 1.274 5.637 -0.091) 5.780 12.810 ( -2.018 -2.913 -4.465) 5.700 12.810 ( -2.018 2.913 -4.465) 5.700 13.061 ( 2.548 -7.024 0.213) 7.475 13.061 ( 2.548 7.024 0.213) 7.475 13.543 ( -0.300 -4.609 -10.807) 11.753 13.543 ( -0.300 4.609 -10.807) 11.753 13.867 ( -2.865 -2.188 -4.605) 5.848 13.867 ( -2.865 2.188 -4.605) 5.848 14.081 ( 0.942 -5.936 -3.566) 6.988 14.081 ( 0.942 5.936 -3.566) 6.988 14.765 ( -0.710 -9.898 6.778) 12.018 14.765 ( -0.710 9.898 6.778) 12.018 15.438 ( 3.526 -7.213 0.229) 8.032 15.438 ( 3.526 7.213 0.229) 8.032 16.076 ( -4.728 -6.458 -1.584) 8.159 16.076 ( -4.728 6.458 -1.584) 8.159 16.432 ( -0.786 -8.189 28.262) 29.435 16.432 ( -0.786 8.189 28.262) 29.435 17.736 ( 0.514 -2.980 13.777) 14.105 17.736 ( 0.514 2.980 13.777) 14.105 18.140 ( 0.365 -3.844 -4.427) 5.875 18.140 ( 0.365 3.844 -4.427) 5.875 18.763 ( 2.263 -2.207 0.579) 3.213 18.763 ( 2.263 2.207 0.579) 3.213 19.079 ( 0.430 -4.410 -11.273) 12.112 19.079 ( 0.430 4.410 -11.273) 12.112 20.078 ( -16.265 -6.815 -2.056) 17.754 20.078 ( -16.265 6.815 -2.056) 17.754 21.900 ( 12.290 -20.702 45.118) 51.139 21.900 ( 12.290 20.702 45.118) 51.139 24.698 ( -0.404 -5.684 -11.053) 12.436 24.698 ( -0.404 5.684 -11.053) 12.436 27.110 ( -0.070 -19.810 -1.615) 19.876 27.110 ( -0.070 19.810 -1.615) 19.876 29.057 ( -1.211 -2.186 -1.445) 2.887 29.057 ( -1.211 2.186 -1.445) 2.887 ======================= Grid point 110 (62/96) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 2.572 -9.563 15.343) 18.261 1.709 ( 2.572 9.563 15.343) 18.261 1.938 ( 2.028 -7.598 18.897) 20.468 1.938 ( 2.028 7.598 18.897) 20.468 2.469 ( 2.100 -6.053 -2.128) 6.751 2.469 ( 2.100 6.053 -2.128) 6.751 2.774 ( -0.980 -4.378 -3.701) 5.816 2.774 ( -0.980 4.378 -3.701) 5.816 3.027 ( 2.615 -3.967 13.629) 14.433 3.027 ( 2.615 3.967 13.629) 14.433 3.143 ( -0.587 -13.212 5.412) 14.290 3.143 ( -0.587 13.212 5.412) 14.290 3.394 ( 5.816 -15.440 12.312) 20.587 3.394 ( 5.816 15.440 12.312) 20.587 3.674 ( -5.299 -10.923 16.451) 20.446 3.674 ( -5.299 10.923 16.451) 20.446 3.902 ( -3.570 -9.277 15.374) 18.308 3.902 ( -3.570 9.277 15.374) 18.308 4.108 ( -4.952 -7.345 10.431) 13.685 4.108 ( -4.952 7.345 10.431) 13.685 4.431 ( -5.130 -5.370 11.326) 13.544 4.431 ( -5.130 5.370 11.326) 13.544 4.686 ( -2.709 -3.173 -2.670) 4.953 4.686 ( -2.709 3.173 -2.670) 4.953 5.114 ( -0.389 -2.194 -3.827) 4.428 5.114 ( -0.389 2.194 -3.827) 4.428 5.348 ( 0.915 -2.535 -0.092) 2.697 5.348 ( 0.915 2.535 -0.092) 2.697 5.500 ( 4.526 -2.021 -6.140) 7.891 5.500 ( 4.526 2.021 -6.140) 7.891 5.786 ( 2.189 -2.695 -4.950) 6.046 5.786 ( 2.189 2.695 -4.950) 6.046 5.944 ( 3.286 -1.995 -4.470) 5.896 5.944 ( 3.286 1.995 -4.470) 5.896 6.130 ( -0.762 -2.000 -3.260) 3.900 6.130 ( -0.762 2.000 -3.260) 3.900 6.737 ( 1.122 -5.413 0.190) 5.531 6.737 ( 1.122 5.413 0.190) 5.531 7.067 ( -3.059 -6.048 -5.598) 8.791 7.067 ( -3.059 6.048 -5.598) 8.791 7.396 ( -1.843 -4.855 7.464) 9.093 7.396 ( -1.843 4.855 7.464) 9.093 7.816 ( 2.058 -3.354 4.946) 6.320 7.816 ( 2.058 3.354 4.946) 6.320 8.291 ( -0.410 -7.210 -5.926) 9.342 8.291 ( -0.410 7.210 -5.926) 9.342 8.526 ( 0.887 -5.746 -9.969) 11.540 8.526 ( 0.887 5.746 -9.969) 11.540 8.966 ( -2.158 -8.783 -0.514) 9.059 8.966 ( -2.158 8.783 -0.514) 9.059 9.120 ( -1.189 -2.295 -2.120) 3.343 9.120 ( -1.189 2.295 -2.120) 3.343 9.506 ( 1.674 -6.176 -8.620) 10.735 9.506 ( 1.674 6.176 -8.620) 10.735 9.752 ( 0.438 -3.670 -7.593) 8.444 9.752 ( 0.438 3.670 -7.593) 8.444 9.930 ( -2.300 -4.187 -3.080) 5.684 9.930 ( -2.300 4.187 -3.080) 5.684 10.327 ( -0.419 -4.584 2.164) 5.086 10.327 ( -0.419 4.584 2.164) 5.086 10.817 ( -0.504 -8.951 6.780) 11.241 10.817 ( -0.504 8.951 6.780) 11.241 11.069 ( 1.335 -5.350 3.370) 6.462 11.069 ( 1.335 5.350 3.370) 6.462 11.304 ( 4.712 -2.489 14.873) 15.799 11.304 ( 4.712 2.489 14.874) 15.799 11.555 ( -1.006 -3.066 12.584) 12.991 11.555 ( -1.006 3.066 12.584) 12.991 11.934 ( -1.391 -6.384 0.009) 6.534 11.934 ( -1.391 6.384 0.009) 6.534 12.414 ( -4.259 -5.565 3.952) 8.045 12.414 ( -4.259 5.565 3.952) 8.045 12.729 ( -2.811 -3.500 -7.138) 8.432 12.729 ( -2.811 3.500 -7.138) 8.432 13.188 ( 5.781 -7.001 -1.161) 9.153 13.188 ( 5.781 7.001 -1.161) 9.153 13.534 ( -0.339 -4.233 -11.708) 12.454 13.534 ( -0.339 4.233 -11.708) 12.454 13.797 ( -2.393 -1.456 -1.753) 3.305 13.797 ( -2.393 1.456 -1.753) 3.305 14.110 ( 1.964 -4.924 -4.374) 6.873 14.110 ( 1.964 4.924 -4.374) 6.873 14.792 ( 2.974 -7.137 6.563) 10.142 14.792 ( 2.974 7.137 6.563) 10.142 15.511 ( 3.423 -4.995 0.071) 6.055 15.511 ( 3.423 4.995 0.071) 6.055 15.999 ( -2.543 -5.286 0.893) 5.933 15.999 ( -2.543 5.286 0.893) 5.933 16.446 ( 1.941 -8.331 27.036) 28.356 16.446 ( 1.941 8.331 27.036) 28.356 17.638 ( -10.043 -4.273 16.301) 19.617 17.638 ( -10.043 4.273 16.301) 19.617 18.135 ( -1.108 -1.086 -2.992) 3.371 18.135 ( -1.108 1.086 -2.992) 3.371 18.702 ( -7.062 -2.150 0.004) 7.382 18.702 ( -7.062 2.150 0.004) 7.382 19.050 ( -4.506 -2.918 -10.513) 11.805 19.050 ( -4.506 2.918 -10.513) 11.805 19.692 ( -15.253 -11.525 10.285) 21.708 19.692 ( -15.253 11.525 10.285) 21.708 22.301 ( 22.085 -16.015 28.700) 39.597 22.301 ( 22.085 16.015 28.700) 39.597 24.655 ( -3.753 -5.655 -11.035) 12.955 24.655 ( -3.753 5.655 -11.035) 12.955 27.052 ( -5.334 -19.261 -1.144) 20.019 27.052 ( -5.334 19.261 -1.144) 20.019 29.017 ( -2.281 -3.907 -0.217) 4.529 29.017 ( -2.281 3.907 -0.217) 4.529 ======================= Grid point 112 (63/96) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( 4.874 -12.220 12.537) 18.173 1.777 ( 4.874 12.220 12.537) 18.173 2.069 ( 9.000 -7.568 15.185) 19.205 2.069 ( 9.000 7.568 15.185) 19.205 2.494 ( -0.194 -4.076 2.043) 4.563 2.494 ( -0.194 4.076 2.043) 4.563 2.739 ( -1.390 -4.331 -7.046) 8.387 2.739 ( -1.390 4.331 -7.046) 8.387 3.039 ( -0.878 -6.094 4.029) 7.358 3.039 ( -0.878 6.094 4.029) 7.358 3.154 ( 1.642 -14.330 4.740) 15.183 3.154 ( 1.642 14.330 4.740) 15.183 3.435 ( -4.260 -12.378 11.171) 17.209 3.435 ( -4.260 12.378 11.171) 17.209 3.681 ( 2.998 -11.961 19.630) 23.182 3.681 ( 2.998 11.961 19.630) 23.182 3.890 ( 5.604 -9.053 14.725) 18.171 3.890 ( 5.604 9.053 14.725) 18.171 3.985 ( -5.697 -3.868 15.245) 16.728 3.985 ( -5.697 3.868 15.245) 16.728 4.299 ( -7.038 -5.131 10.953) 13.994 4.299 ( -7.038 5.131 10.953) 13.994 4.568 ( -7.376 -3.201 0.364) 8.048 4.568 ( -7.376 3.201 0.364) 8.048 5.152 ( 3.747 -2.671 -4.962) 6.767 5.152 ( 3.747 2.671 -4.962) 6.767 5.382 ( 1.605 -5.352 -1.265) 5.729 5.382 ( 1.605 5.352 -1.265) 5.729 5.539 ( -1.375 -1.038 -5.852) 6.100 5.539 ( -1.375 1.038 -5.852) 6.100 5.830 ( 3.438 -3.874 0.041) 5.180 5.830 ( 3.438 3.874 0.041) 5.180 6.010 ( 1.311 -1.277 -5.359) 5.663 6.010 ( 1.311 1.277 -5.359) 5.663 6.144 ( 2.277 -1.942 -6.092) 6.787 6.144 ( 2.277 1.942 -6.092) 6.787 6.759 ( 0.982 -4.488 -0.331) 4.606 6.759 ( 0.982 4.488 -0.331) 4.606 6.998 ( -3.156 -5.194 -4.363) 7.482 6.998 ( -3.156 5.194 -4.363) 7.482 7.395 ( 1.785 -3.873 6.239) 7.558 7.395 ( 1.785 3.873 6.239) 7.558 7.843 ( 0.463 -3.392 5.436) 6.425 7.843 ( 0.463 3.392 5.436) 6.425 8.263 ( -2.381 -7.534 -6.829) 10.444 8.263 ( -2.381 7.534 -6.829) 10.444 8.509 ( -2.950 -5.822 -6.437) 9.167 8.509 ( -2.950 5.822 -6.437) 9.167 8.906 ( -3.407 -7.402 -0.485) 8.163 8.906 ( -3.407 7.402 -0.485) 8.163 9.124 ( 1.290 -5.630 0.227) 5.780 9.124 ( 1.290 5.630 0.227) 5.780 9.531 ( 0.735 -5.405 -6.856) 8.761 9.531 ( 0.735 5.405 -6.856) 8.761 9.688 ( -5.314 -3.772 -2.967) 7.160 9.688 ( -5.314 3.772 -2.967) 7.160 9.960 ( 4.451 -5.380 -4.605) 8.365 9.960 ( 4.451 5.380 -4.605) 8.365 10.342 ( 2.442 -1.772 4.572) 5.478 10.342 ( 2.442 1.772 4.572) 5.478 10.757 ( -4.015 -6.350 4.647) 8.834 10.757 ( -4.015 6.350 4.647) 8.834 11.141 ( 3.187 -5.226 5.914) 8.511 11.141 ( 3.187 5.226 5.914) 8.511 11.346 ( -1.551 -2.177 18.548) 18.740 11.346 ( -1.551 2.177 18.548) 18.740 11.562 ( 2.245 -5.965 3.338) 7.194 11.562 ( 2.245 5.965 3.338) 7.194 11.898 ( -1.381 -5.368 0.482) 5.564 11.898 ( -1.381 5.368 0.482) 5.564 12.345 ( -1.466 -9.150 2.170) 9.517 12.345 ( -1.466 9.150 2.170) 9.517 12.697 ( -1.762 -2.337 -7.350) 7.911 12.697 ( -1.762 2.337 -7.350) 7.911 13.231 ( 0.043 -6.531 -3.100) 7.229 13.231 ( 0.043 6.531 -3.100) 7.229 13.511 ( -2.284 -4.909 -7.903) 9.580 13.511 ( -2.284 4.909 -7.903) 9.580 13.816 ( 3.425 -3.419 0.381) 4.855 13.816 ( 3.425 3.419 0.381) 4.855 14.178 ( 4.971 -4.268 -7.805) 10.190 14.178 ( 4.971 4.268 -7.805) 10.190 14.874 ( 4.963 -4.291 7.036) 9.620 14.874 ( 4.963 4.291 7.036) 9.620 15.572 ( 2.527 -3.291 -1.020) 4.273 15.572 ( 2.527 3.291 -1.020) 4.273 15.974 ( -0.025 -6.707 4.797) 8.246 15.974 ( -0.025 6.707 4.797) 8.246 16.508 ( 3.932 -7.834 25.824) 27.271 16.508 ( 3.932 7.834 25.824) 27.271 17.376 ( -13.871 -7.364 21.408) 26.551 17.376 ( -13.871 7.364 21.408) 26.551 18.090 ( -3.200 -5.608 -0.127) 6.458 18.090 ( -3.200 5.608 -0.127) 6.458 18.538 ( -8.202 -4.371 -0.049) 9.294 18.538 ( -8.202 4.371 -0.049) 9.294 18.878 ( -11.128 -3.779 -4.910) 12.737 18.878 ( -11.128 3.779 -4.910) 12.737 19.542 ( -1.249 -12.271 5.611) 13.550 19.542 ( -1.249 12.271 5.611) 13.550 22.704 ( 16.772 -9.596 18.518) 26.764 22.704 ( 16.772 9.596 18.518) 26.764 24.555 ( -5.667 -4.543 -10.393) 12.680 24.555 ( -5.667 4.543 -10.393) 12.680 26.923 ( -6.554 -15.350 -0.557) 16.700 26.923 ( -6.554 15.350 -0.557) 16.700 28.976 ( -1.666 -6.179 1.204) 6.512 28.976 ( -1.666 6.179 1.204) 6.512 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 8.531 -6.353 7.637) 13.094 1.921 ( 8.531 6.353 7.637) 13.094 2.220 ( 4.845 -3.586 10.272) 11.909 2.220 ( 4.845 3.586 10.272) 11.909 2.471 ( -0.514 -2.157 4.186) 4.738 2.471 ( -0.514 2.157 4.186) 4.738 2.755 ( 2.400 -1.229 -4.748) 5.460 2.755 ( 2.400 1.229 -4.748) 5.460 3.023 ( -2.778 -8.464 1.466) 9.028 3.023 ( -2.778 8.464 1.466) 9.028 3.160 ( 1.147 -9.728 11.917) 15.426 3.160 ( 1.147 9.728 11.917) 15.426 3.385 ( -3.498 -7.479 -0.319) 8.263 3.385 ( -3.498 7.479 -0.319) 8.263 3.608 ( -2.400 -8.710 9.637) 13.210 3.608 ( -2.400 8.710 9.637) 13.210 3.852 ( -4.520 -1.469 28.119) 28.518 3.852 ( -4.520 1.469 28.119) 28.518 4.009 ( -5.779 -5.485 12.206) 14.577 4.009 ( -5.779 5.485 12.206) 14.577 4.307 ( 4.980 -9.887 4.758) 12.049 4.307 ( 4.980 9.887 4.758) 12.049 4.476 ( 5.441 -6.507 8.516) 12.020 4.476 ( 5.441 6.507 8.516) 12.020 5.203 ( -0.724 -2.604 1.575) 3.129 5.203 ( -0.724 2.604 1.575) 3.129 5.397 ( -0.143 -2.351 -5.621) 6.094 5.397 ( -0.143 2.351 -5.621) 6.094 5.503 ( 0.196 -3.033 -5.104) 5.940 5.503 ( 0.196 3.033 -5.104) 5.940 5.902 ( 1.417 -1.854 -0.907) 2.504 5.902 ( 1.417 1.854 -0.907) 2.504 6.006 ( 0.028 -2.314 -5.802) 6.246 6.006 ( 0.028 2.314 -5.802) 6.246 6.182 ( 0.741 -2.828 -4.663) 5.503 6.182 ( 0.741 2.828 -4.663) 5.503 6.778 ( 0.884 -3.976 -1.855) 4.475 6.778 ( 0.884 3.976 -1.855) 4.475 6.958 ( -0.548 -4.520 -3.362) 5.660 6.958 ( -0.548 4.520 -3.362) 5.660 7.454 ( 3.355 -3.822 4.862) 7.036 7.454 ( 3.355 3.822 4.862) 7.036 7.831 ( -1.839 -2.476 5.712) 6.491 7.831 ( -1.839 2.476 5.712) 6.491 8.204 ( -2.610 -7.940 -4.353) 9.423 8.204 ( -2.610 7.940 -4.353) 9.423 8.423 ( -4.674 -5.514 -2.335) 7.596 8.423 ( -4.674 5.514 -2.335) 7.596 8.839 ( -3.032 -5.188 -1.578) 6.213 8.839 ( -3.032 5.188 -1.578) 6.213 9.163 ( 2.300 -6.675 -0.094) 7.060 9.163 ( 2.300 6.675 -0.094) 7.060 9.517 ( -2.130 -5.360 -8.190) 10.017 9.517 ( -2.130 5.360 -8.190) 10.017 9.619 ( -0.856 -3.487 0.463) 3.620 9.619 ( -0.856 3.487 0.463) 3.620 10.054 ( 4.005 -6.586 -3.260) 8.369 10.054 ( 4.005 6.586 -3.260) 8.369 10.416 ( 4.109 -6.470 5.834) 9.632 10.416 ( 4.109 6.470 5.834) 9.632 10.679 ( -3.463 -2.878 1.480) 4.740 10.679 ( -3.463 2.878 1.480) 4.740 11.143 ( -2.579 -5.149 15.073) 16.135 11.143 ( -2.579 5.149 15.073) 16.135 11.298 ( -1.999 -3.147 16.718) 17.128 11.298 ( -1.999 3.147 16.718) 17.128 11.600 ( 0.737 -8.078 -2.893) 8.612 11.600 ( 0.737 8.078 -2.893) 8.612 11.931 ( 4.612 -3.130 -0.400) 5.588 11.931 ( 4.612 3.130 -0.400) 5.588 12.326 ( -1.425 -8.257 -0.875) 8.425 12.326 ( -1.425 8.257 -0.875) 8.425 12.644 ( -2.566 -0.932 -6.828) 7.353 12.644 ( -2.566 0.932 -6.828) 7.353 13.255 ( 2.199 -4.319 -1.778) 5.162 13.255 ( 2.199 4.319 -1.778) 5.162 13.450 ( -3.030 -1.475 -6.443) 7.271 13.450 ( -3.030 1.475 -6.443) 7.271 13.877 ( 2.033 -5.057 0.692) 5.494 13.877 ( 2.033 5.057 0.692) 5.494 14.295 ( 5.679 -5.773 -9.480) 12.468 14.295 ( 5.679 5.773 -9.480) 12.468 14.987 ( 5.750 -4.892 7.200) 10.432 14.987 ( 5.750 4.892 7.200) 10.432 15.601 ( -0.184 -4.883 -0.786) 4.949 15.601 ( -0.184 4.883 -0.786) 4.949 16.001 ( 2.934 -6.813 9.530) 12.076 16.001 ( 2.934 6.813 9.530) 12.076 16.602 ( 4.976 -5.376 23.725) 24.831 16.602 ( 4.976 5.376 23.725) 24.831 17.136 ( -9.180 -6.030 24.426) 26.782 17.136 ( -9.180 6.030 24.426) 26.782 18.016 ( -3.891 -7.966 0.152) 8.867 18.016 ( -3.891 7.966 0.152) 8.867 18.375 ( -7.904 -5.851 -1.912) 10.018 18.375 ( -7.904 5.851 -1.912) 10.018 18.658 ( -9.175 -2.797 -0.570) 9.609 18.658 ( -9.175 2.797 -0.570) 9.609 19.570 ( 2.987 -11.094 1.029) 11.535 19.570 ( 2.987 11.094 1.029) 11.535 22.975 ( 9.673 -5.039 14.854) 18.428 22.975 ( 9.673 5.039 14.854) 18.428 24.446 ( -4.430 -2.968 -9.451) 10.851 24.446 ( -4.430 2.968 -9.451) 10.851 26.808 ( -4.348 -11.948 -1.115) 12.763 26.808 ( -4.348 11.948 -1.115) 12.763 28.949 ( -0.965 -6.002 1.821) 6.346 28.949 ( -0.965 6.002 1.821) 6.346 ======================= Grid point 116 (65/96) ======================= q-point: ( 0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 5.268 -1.223 4.838) 7.256 2.071 ( 5.268 1.223 4.838) 7.256 2.286 ( 2.218 -3.625 5.785) 7.178 2.286 ( 2.218 3.625 5.785) 7.178 2.510 ( 2.835 -1.507 7.355) 8.026 2.510 ( 2.835 1.507 7.355) 8.026 2.797 ( 0.774 -2.238 -0.748) 2.484 2.797 ( 0.774 2.238 -0.748) 2.484 2.902 ( -4.397 -2.862 2.367) 5.756 2.902 ( -4.397 2.862 2.367) 5.756 3.124 ( -8.857 -2.547 0.254) 9.220 3.124 ( -8.857 2.547 0.254) 9.220 3.391 ( 10.089 -5.446 6.939) 13.402 3.391 ( 10.089 5.446 6.939) 13.402 3.638 ( -3.071 -3.798 12.173) 13.116 3.638 ( -3.071 3.798 12.173) 13.116 3.740 ( -3.567 -2.104 21.986) 22.372 3.740 ( -3.567 2.104 21.986) 22.372 3.947 ( 2.199 -9.232 9.937) 13.741 3.947 ( 2.199 9.232 9.937) 13.741 4.226 ( -5.663 -12.800 6.360) 15.374 4.226 ( -5.663 12.800 6.360) 15.374 4.784 ( 14.171 -5.915 10.230) 18.452 4.784 ( 14.171 5.915 10.230) 18.452 5.126 ( -4.858 -2.252 5.859) 7.937 5.126 ( -4.858 2.252 5.859) 7.937 5.358 ( -2.807 -0.959 -7.439) 8.008 5.358 ( -2.807 0.959 -7.439) 8.008 5.579 ( 5.240 -2.611 -4.035) 7.110 5.579 ( 5.240 2.611 -4.035) 7.110 5.833 ( -5.838 -3.226 -7.392) 9.957 5.833 ( -5.838 3.226 -7.392) 9.957 6.057 ( 3.263 -3.023 -1.105) 4.583 6.057 ( 3.263 3.023 -1.105) 4.583 6.173 ( -1.219 -2.367 -3.229) 4.185 6.173 ( -1.219 2.368 -3.229) 4.185 6.789 ( 0.065 -2.298 -3.176) 3.920 6.789 ( 0.065 2.298 -3.176) 3.920 6.972 ( 1.499 -3.474 -3.639) 5.250 6.972 ( 1.499 3.474 -3.639) 5.250 7.511 ( 1.911 -4.113 3.673) 5.836 7.511 ( 1.911 4.113 3.673) 5.836 7.774 ( -3.016 -1.961 6.668) 7.576 7.774 ( -3.016 1.961 6.668) 7.576 8.185 ( 0.429 -6.882 -3.467) 7.718 8.185 ( 0.429 6.882 -3.467) 7.718 8.351 ( -1.497 -5.380 0.847) 5.648 8.351 ( -1.497 5.380 0.847) 5.648 8.789 ( -1.725 -2.564 -1.700) 3.527 8.789 ( -1.725 2.564 -1.700) 3.527 9.204 ( 1.518 -6.479 -3.171) 7.372 9.204 ( 1.518 6.479 -3.171) 7.372 9.489 ( -0.038 -3.805 -9.553) 10.283 9.489 ( -0.038 3.805 -9.553) 10.283 9.617 ( 0.097 -3.503 3.506) 4.957 9.617 ( 0.097 3.503 3.506) 4.957 10.101 ( 0.481 -3.326 -1.699) 3.766 10.101 ( 0.481 3.326 -1.699) 3.766 10.475 ( 0.799 -9.802 6.286) 11.671 10.475 ( 0.799 9.802 6.286) 11.671 10.631 ( -0.690 -5.754 0.149) 5.797 10.631 ( -0.690 5.754 0.149) 5.797 11.097 ( -1.114 -4.598 19.103) 19.680 11.097 ( -1.114 4.598 19.103) 19.680 11.261 ( -1.994 -3.998 13.659) 14.371 11.261 ( -1.994 3.998 13.659) 14.371 11.602 ( -0.142 -10.284 -1.567) 10.404 11.602 ( -0.142 10.284 -1.567) 10.404 12.040 ( 5.138 -1.513 -2.166) 5.777 12.040 ( 5.138 1.513 -2.166) 5.777 12.275 ( -3.179 -5.338 -3.036) 6.915 12.275 ( -3.179 5.338 -3.036) 6.915 12.621 ( 0.380 -1.331 -6.230) 6.382 12.621 ( 0.380 1.331 -6.230) 6.382 13.270 ( -1.500 -2.519 -2.719) 3.999 13.270 ( -1.500 2.519 -2.719) 3.999 13.428 ( 1.245 -2.710 -4.277) 5.214 13.428 ( 1.245 2.710 -4.277) 5.214 13.903 ( 0.889 -3.324 -0.547) 3.485 13.903 ( 0.889 3.324 -0.547) 3.485 14.377 ( 1.976 -6.764 -9.019) 11.446 14.377 ( 1.976 6.764 -9.019) 11.446 15.083 ( 2.915 -4.417 6.594) 8.455 15.083 ( 2.915 4.417 6.594) 8.455 15.561 ( -3.116 -6.079 2.008) 7.120 15.561 ( -3.116 6.079 2.008) 7.120 16.096 ( 5.873 -3.642 11.554) 13.463 16.096 ( 5.873 3.642 11.554) 13.463 16.693 ( 3.194 -2.329 21.598) 21.957 16.693 ( 3.194 2.329 21.598) 21.957 17.014 ( -2.755 -3.548 25.232) 25.628 17.014 ( -2.755 3.548 25.232) 25.628 17.932 ( -4.270 -9.840 -1.704) 10.861 17.932 ( -4.270 9.840 -1.704) 10.861 18.244 ( -3.620 -7.522 -1.128) 8.424 18.244 ( -3.620 7.522 -1.128) 8.424 18.539 ( -2.461 -1.046 0.098) 2.676 18.539 ( -2.461 1.046 0.098) 2.676 19.641 ( 3.669 -9.839 -0.306) 10.505 19.641 ( 3.669 9.839 -0.306) 10.505 23.086 ( 0.849 -3.220 13.670) 14.070 23.086 ( 0.849 3.220 13.670) 14.070 24.396 ( -0.110 -1.417 -8.353) 8.473 24.396 ( -0.110 1.417 -8.353) 8.473 26.752 ( -1.111 -10.262 -2.058) 10.525 26.752 ( -1.111 10.262 -2.058) 10.525 28.938 ( -0.134 -4.733 1.938) 5.117 28.938 ( -0.134 4.733 1.938) 5.117 ======================= Grid point 118 (66/96) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 1.464 -2.851 6.092) 6.883 2.146 ( 1.464 2.851 6.092) 6.883 2.271 ( -3.818 -2.685 2.871) 5.480 2.271 ( -3.818 2.685 2.871) 5.480 2.485 ( -4.171 -4.122 6.955) 9.097 2.485 ( -4.171 4.122 6.955) 9.097 2.781 ( -2.456 -1.587 -0.272) 2.936 2.781 ( -2.456 1.587 -0.272) 2.936 2.926 ( 6.870 -2.617 4.399) 8.567 2.926 ( 6.870 2.617 4.399) 8.567 3.099 ( 5.970 -0.971 -2.523) 6.553 3.099 ( 5.970 0.971 -2.523) 6.553 3.402 ( -8.651 -8.481 8.471) 14.783 3.402 ( -8.651 8.481 8.471) 14.783 3.639 ( 2.689 -3.615 7.010) 8.333 3.639 ( 2.689 3.615 7.010) 8.333 3.733 ( 2.700 -5.017 29.584) 30.128 3.733 ( 2.700 5.017 29.584) 30.128 3.973 ( -0.128 -3.996 5.362) 6.688 3.973 ( -0.128 3.996 5.362) 6.688 4.240 ( 7.401 -10.581 7.903) 15.139 4.240 ( 7.401 10.581 7.903) 15.139 4.798 ( -12.273 -5.195 10.285) 16.834 4.798 ( -12.273 5.195 10.285) 16.834 5.148 ( 6.051 -1.502 6.032) 8.675 5.148 ( 6.051 1.502 6.032) 8.675 5.341 ( 1.340 -0.967 -6.661) 6.863 5.341 ( 1.340 0.967 -6.661) 6.863 5.583 ( -5.485 -3.580 -5.933) 8.838 5.583 ( -5.485 3.580 -5.933) 8.838 5.803 ( 4.019 -3.354 -5.603) 7.668 5.803 ( 4.019 3.354 -5.603) 7.668 6.078 ( -1.919 -2.470 -1.594) 3.511 6.078 ( -1.919 2.470 -1.594) 3.511 6.162 ( 0.635 -3.856 -2.845) 4.834 6.162 ( 0.635 3.856 -2.845) 4.834 6.781 ( -0.691 -3.238 -2.866) 4.379 6.781 ( -0.691 3.238 -2.866) 4.379 7.000 ( 1.018 -2.798 -5.097) 5.903 7.000 ( 1.018 2.798 -5.097) 5.903 7.526 ( -0.351 -2.847 4.743) 5.543 7.526 ( -0.351 2.847 4.743) 5.543 7.745 ( 0.394 -1.258 5.603) 5.756 7.745 ( 0.394 1.258 5.603) 5.756 8.183 ( -0.512 -6.221 -5.561) 8.360 8.183 ( -0.512 6.221 -5.561) 8.360 8.390 ( 4.686 -4.042 2.609) 6.715 8.390 ( 4.686 4.042 2.609) 6.715 8.772 ( 0.244 -2.725 -0.718) 2.828 8.772 ( 0.244 2.725 -0.718) 2.828 9.223 ( 0.423 -7.926 -5.606) 9.717 9.223 ( 0.423 7.926 -5.606) 9.717 9.508 ( 1.537 -1.854 -7.366) 7.749 9.508 ( 1.537 1.854 -7.366) 7.749 9.618 ( 0.108 -3.107 2.739) 4.144 9.618 ( 0.108 3.107 2.739) 4.144 10.082 ( -1.979 -3.301 -0.583) 3.893 10.082 ( -1.979 3.301 -0.583) 3.893 10.450 ( -2.712 -6.250 4.656) 8.252 10.450 ( -2.712 6.250 4.656) 8.252 10.644 ( 1.348 -3.651 2.865) 4.832 10.644 ( 1.348 3.651 2.865) 4.832 11.099 ( 0.747 -1.337 15.888) 15.961 11.099 ( 0.747 1.337 15.888) 15.961 11.216 ( -2.251 -5.617 11.796) 13.258 11.216 ( -2.251 5.617 11.796) 13.258 11.608 ( 0.929 -10.880 1.236) 10.989 11.608 ( 0.929 10.880 1.236) 10.989 12.103 ( 0.072 -3.815 -1.936) 4.278 12.103 ( 0.072 3.815 -1.936) 4.278 12.232 ( 0.142 -3.812 -2.406) 4.510 12.232 ( 0.142 3.812 -2.406) 4.510 12.651 ( 2.496 -3.132 -6.716) 7.819 12.651 ( 2.496 3.132 -6.716) 7.819 13.226 ( -1.776 -2.675 -3.627) 4.844 13.226 ( -1.776 2.675 -3.627) 4.844 13.452 ( -0.058 -1.949 -2.699) 3.330 13.452 ( -0.058 1.949 -2.699) 3.330 13.923 ( 1.080 -2.169 -1.620) 2.914 13.923 ( 1.080 2.169 -1.620) 2.914 14.370 ( -2.457 -5.775 -8.846) 10.846 14.370 ( -2.457 5.775 -8.846) 10.846 15.086 ( -2.542 -2.286 6.570) 7.406 15.086 ( -2.542 2.286 6.570) 7.406 15.500 ( -2.815 -9.594 2.879) 10.405 15.500 ( -2.815 9.594 2.879) 10.405 16.209 ( 4.578 -5.277 9.552) 11.834 16.209 ( 4.578 5.277 9.552) 11.834 16.706 ( -1.934 -4.346 22.364) 22.864 16.706 ( -1.934 4.346 22.364) 22.864 17.028 ( 3.791 -2.957 24.133) 24.608 17.028 ( 3.791 2.957 24.133) 24.608 17.877 ( 0.073 -9.846 -0.712) 9.872 17.877 ( 0.073 9.846 -0.712) 9.872 18.243 ( 2.803 -6.894 -1.071) 7.519 18.243 ( 2.803 6.894 -1.071) 7.519 18.554 ( 3.910 -2.469 -0.747) 4.684 18.554 ( 3.910 2.469 -0.747) 4.684 19.714 ( 3.580 -8.689 -0.235) 9.401 19.714 ( 3.580 8.689 -0.235) 9.401 23.010 ( -8.047 -1.058 13.414) 15.679 23.010 ( -8.047 1.058 13.414) 15.679 24.437 ( 3.684 -1.134 -7.620) 8.539 24.437 ( 3.684 1.134 -7.620) 8.539 26.763 ( 2.155 -10.055 -2.266) 10.530 26.763 ( 2.155 10.055 -2.266) 10.530 28.946 ( 0.919 -3.294 1.863) 3.895 28.946 ( 0.919 3.294 1.863) 3.895 ======================= Grid point 120 (67/96) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -9.914 -5.033 10.121) 15.035 2.027 ( -9.914 5.033 10.121) 15.035 2.259 ( -0.062 -4.642 6.121) 7.682 2.259 ( -0.062 4.642 6.121) 7.682 2.425 ( -1.321 -4.283 1.551) 4.743 2.425 ( -1.321 4.283 1.551) 4.743 2.757 ( 0.965 -1.540 -5.775) 6.054 2.757 ( 0.965 1.540 -5.775) 6.054 3.062 ( -1.267 -8.157 8.927) 12.159 3.062 ( -1.267 8.157 8.927) 12.159 3.161 ( 5.650 -6.052 1.746) 8.461 3.161 ( 5.650 6.052 1.746) 8.461 3.333 ( -0.831 -10.657 4.585) 11.631 3.333 ( -0.831 10.657 4.585) 11.631 3.631 ( 3.259 -11.154 9.243) 14.848 3.631 ( 3.259 11.154 9.243) 14.848 3.835 ( 5.543 -3.579 27.702) 28.477 3.835 ( 5.543 3.579 27.702) 28.477 4.017 ( 1.068 -6.355 9.057) 11.115 4.017 ( 1.068 6.355 9.057) 11.115 4.368 ( -1.310 -4.564 9.999) 11.069 4.368 ( -1.310 4.564 9.999) 11.069 4.527 ( -5.385 -8.262 7.186) 12.203 4.527 ( -5.385 8.262 7.186) 12.203 5.235 ( 0.605 -0.734 0.003) 0.951 5.235 ( 0.605 0.734 0.003) 0.951 5.333 ( -2.038 -1.233 -3.632) 4.343 5.333 ( -2.038 1.233 -3.632) 4.343 5.523 ( 1.384 -2.738 -5.907) 6.656 5.523 ( 1.384 2.738 -5.907) 6.656 5.870 ( 0.417 -1.903 -1.980) 2.778 5.870 ( 0.417 1.903 -1.980) 2.778 6.024 ( -1.796 -3.040 -3.656) 5.083 6.024 ( -1.796 3.040 -3.656) 5.083 6.169 ( -0.529 -4.234 -3.700) 5.648 6.169 ( -0.529 4.234 -3.700) 5.648 6.766 ( -0.729 -6.327 -2.008) 6.678 6.766 ( -0.729 6.327 -2.008) 6.678 7.015 ( 0.775 -5.271 -6.226) 8.195 7.015 ( 0.775 5.271 -6.226) 8.195 7.500 ( -2.140 -3.404 6.474) 7.621 7.500 ( -2.140 3.404 6.474) 7.621 7.777 ( 2.213 -0.837 4.349) 4.951 7.777 ( 2.213 0.837 4.349) 4.951 8.189 ( 1.265 -5.065 -7.584) 9.207 8.189 ( 1.265 5.065 -7.584) 9.207 8.489 ( 3.895 -3.885 -0.010) 5.501 8.489 ( 3.895 3.885 -0.010) 5.501 8.811 ( 3.788 -5.422 0.877) 6.672 8.811 ( 3.788 5.422 0.877) 6.672 9.220 ( -0.645 -9.414 -3.810) 10.176 9.220 ( -0.645 9.414 -3.810) 10.176 9.536 ( 0.880 -3.062 -4.933) 5.872 9.536 ( 0.880 3.062 -4.933) 5.872 9.627 ( 0.665 -2.407 -2.432) 3.485 9.627 ( 0.665 2.407 -2.432) 3.485 10.038 ( -1.944 -4.909 1.173) 5.409 10.038 ( -1.944 4.909 1.173) 5.409 10.378 ( -3.991 -4.717 3.830) 7.270 10.378 ( -3.991 4.717 3.830) 7.270 10.673 ( 1.318 -6.593 3.365) 7.519 10.673 ( 1.318 6.593 3.365) 7.519 11.098 ( -1.514 -6.293 10.902) 12.679 11.098 ( -1.514 6.293 10.902) 12.679 11.199 ( 1.341 -3.954 10.262) 11.079 11.199 ( 1.341 3.954 10.262) 11.079 11.636 ( 1.389 -8.991 4.261) 10.046 11.636 ( 1.389 8.991 4.261) 10.046 12.063 ( -2.543 -6.692 0.143) 7.160 12.063 ( -2.543 6.692 0.143) 7.160 12.262 ( 1.468 -1.478 -0.010) 2.083 12.262 ( 1.468 1.478 -0.010) 2.083 12.715 ( 3.605 -3.941 -7.857) 9.501 12.715 ( 3.605 3.941 -7.857) 9.501 13.223 ( 1.625 -3.986 -2.960) 5.224 13.223 ( 1.625 3.986 -2.960) 5.224 13.413 ( -3.314 -0.822 -3.134) 4.634 13.413 ( -3.314 0.822 -3.134) 4.634 13.935 ( -0.427 -4.455 -2.237) 5.003 13.935 ( -0.427 4.455 -2.237) 5.003 14.293 ( -4.537 -3.595 -8.793) 10.527 14.293 ( -4.537 3.595 -8.793) 10.527 15.007 ( -4.667 -6.177 7.734) 10.943 15.007 ( -4.667 6.177 7.734) 10.943 15.437 ( -3.371 -9.594 0.121) 10.170 15.437 ( -3.371 9.594 0.121) 10.170 16.267 ( 0.934 -5.914 3.898) 7.144 16.267 ( 0.934 5.914 3.898) 7.144 16.639 ( -4.218 -5.043 26.025) 26.843 16.639 ( -4.218 5.043 26.025) 26.843 17.161 ( 9.170 -3.021 22.019) 24.043 17.161 ( 9.170 3.021 22.019) 24.043 17.944 ( 5.740 -6.451 1.544) 8.772 17.944 ( 5.740 6.451 1.544) 8.772 18.325 ( 4.852 -4.336 -0.144) 6.508 18.325 ( 4.852 4.336 -0.144) 6.508 18.691 ( 9.089 -6.305 -2.980) 11.456 18.691 ( 9.089 6.305 -2.980) 11.456 19.795 ( 4.744 -7.695 0.708) 9.068 19.795 ( 4.744 7.695 0.708) 9.068 22.772 ( -15.273 -3.750 15.321) 21.956 22.772 ( -15.273 3.750 15.321) 21.956 24.524 ( 4.567 -2.157 -8.070) 9.521 24.524 ( 4.567 2.157 -8.070) 9.521 26.836 ( 4.797 -11.211 -1.531) 12.290 26.836 ( 4.797 11.211 -1.531) 12.290 28.975 ( 1.853 -2.917 1.577) 3.799 28.975 ( 1.853 2.917 1.577) 3.799 ======================= Grid point 122 (68/96) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -6.226 -10.412 13.749) 18.336 1.855 ( -6.226 10.412 13.749) 18.336 2.164 ( -8.464 -3.236 13.842) 16.544 2.164 ( -8.464 3.236 13.842) 16.544 2.436 ( 1.352 -5.890 -2.554) 6.561 2.436 ( 1.352 5.890 -2.554) 6.561 2.784 ( 0.188 -4.196 -8.102) 9.126 2.784 ( 0.188 4.196 -8.102) 9.126 3.036 ( 2.043 -8.681 2.246) 9.197 3.036 ( 2.043 8.681 2.246) 9.197 3.192 ( -2.104 -10.363 5.458) 11.900 3.192 ( -2.104 10.363 5.458) 11.900 3.407 ( 6.062 -7.740 10.985) 14.742 3.407 ( 6.062 7.740 10.985) 14.742 3.719 ( 0.984 -9.155 21.010) 22.939 3.719 ( 0.984 9.155 21.010) 22.939 3.837 ( -10.984 -13.182 12.822) 21.420 3.837 ( -10.984 13.182 12.822) 21.420 4.006 ( 9.337 -2.478 17.864) 20.309 4.006 ( 9.337 2.478 17.864) 20.309 4.355 ( 4.580 -7.472 12.948) 15.635 4.355 ( 4.580 7.472 12.948) 15.635 4.575 ( 2.950 -7.949 -1.198) 8.563 4.575 ( 2.950 7.949 -1.198) 8.563 5.171 ( -3.653 -2.021 -6.082) 7.378 5.171 ( -3.653 2.021 -6.082) 7.378 5.327 ( -0.368 -2.268 0.091) 2.300 5.327 ( -0.368 2.268 0.091) 2.300 5.571 ( 1.602 -2.339 -6.047) 6.678 5.571 ( 1.602 2.339 -6.047) 6.678 5.819 ( -3.766 -2.283 -0.168) 4.407 5.819 ( -3.766 2.283 -0.168) 4.407 6.014 ( -0.369 -2.713 -3.682) 4.589 6.014 ( -0.369 2.713 -3.682) 4.589 6.138 ( -1.923 -2.387 -5.262) 6.090 6.138 ( -1.923 2.387 -5.262) 6.090 6.748 ( -1.107 -7.077 -1.334) 7.286 6.748 ( -1.107 7.077 -1.334) 7.286 7.042 ( 1.975 -7.566 -6.595) 10.229 7.042 ( 1.975 7.566 -6.595) 10.229 7.456 ( -1.690 -2.830 7.290) 8.001 7.456 ( -1.690 2.830 7.290) 8.001 7.812 ( 0.780 -2.553 5.115) 5.770 7.812 ( 0.780 2.553 5.115) 5.770 8.222 ( 1.710 -4.901 -9.720) 11.019 8.222 ( 1.710 4.901 -9.720) 11.019 8.532 ( 0.530 -5.031 -3.582) 6.199 8.532 ( 0.530 5.031 -3.582) 6.199 8.910 ( 4.816 -7.302 -0.495) 8.761 8.910 ( 4.816 7.302 -0.495) 8.761 9.215 ( 0.741 -9.910 0.239) 9.940 9.215 ( 0.741 9.910 0.239) 9.940 9.531 ( -1.789 -3.306 -5.765) 6.882 9.531 ( -1.789 3.306 -5.765) 6.882 9.628 ( -0.465 -1.858 -6.495) 6.772 9.628 ( -0.465 1.858 -6.495) 6.772 10.025 ( 0.894 -4.169 2.180) 4.789 10.025 ( 0.894 4.169 2.180) 4.789 10.302 ( -3.191 -3.290 0.901) 4.671 10.302 ( -3.191 3.290 0.901) 4.671 10.699 ( 1.494 -7.473 4.142) 8.674 10.699 ( 1.494 7.473 4.142) 8.674 11.060 ( -1.759 -5.890 13.316) 14.666 11.060 ( -1.759 5.890 13.316) 14.666 11.254 ( 3.320 -4.996 4.217) 7.332 11.254 ( 3.320 4.996 4.217) 7.332 11.638 ( -1.814 -5.407 6.119) 8.365 11.638 ( -1.814 5.407 6.119) 8.365 12.033 ( -0.480 -7.330 5.624) 9.252 12.033 ( -0.480 7.330 5.624) 9.252 12.286 ( 1.808 -4.486 0.050) 4.837 12.286 ( 1.808 4.486 0.050) 4.837 12.780 ( 2.199 -3.533 -8.071) 9.081 12.780 ( 2.199 3.533 -8.071) 9.081 13.227 ( -3.795 -1.826 0.747) 4.277 13.227 ( -3.795 1.826 0.747) 4.277 13.400 ( 4.612 -3.396 -7.681) 9.581 13.400 ( 4.612 3.396 -7.681) 9.581 13.904 ( -1.954 -2.937 -3.912) 5.268 13.904 ( -1.954 2.937 -3.912) 5.268 14.197 ( -4.839 -3.788 -6.814) 9.175 14.197 ( -4.839 3.788 -6.814) 9.175 14.910 ( -4.786 -8.978 8.083) 12.994 14.910 ( -4.786 8.978 8.083) 12.994 15.380 ( -1.690 -9.554 -2.026) 9.912 15.380 ( -1.690 9.554 -2.026) 9.912 16.249 ( -2.512 -5.552 -1.304) 6.232 16.249 ( -2.512 5.552 -1.304) 6.232 16.551 ( -4.309 -6.686 29.414) 30.471 16.551 ( -4.309 6.686 29.414) 30.471 17.391 ( 12.599 -2.657 18.537) 22.570 17.391 ( 12.599 2.657 18.537) 22.570 18.064 ( 4.927 -2.454 0.290) 5.512 18.064 ( 4.927 2.454 0.290) 5.512 18.446 ( 7.524 -4.668 3.547) 9.539 18.446 ( 7.524 4.668 3.547) 9.539 18.890 ( 9.474 -8.425 -7.006) 14.485 18.890 ( 9.474 8.425 -7.006) 14.485 19.929 ( 8.994 -7.015 1.711) 11.533 19.929 ( 8.994 7.015 1.711) 11.533 22.398 ( -21.212 -10.061 22.355) 32.418 22.398 ( -21.212 10.061 22.355) 32.418 24.612 ( 3.903 -3.280 -9.255) 10.566 24.612 ( 3.903 3.280 -9.255) 10.566 26.948 ( 5.926 -13.504 -0.760) 14.767 26.948 ( 5.926 13.504 -0.760) 14.767 29.018 ( 2.231 -4.338 0.750) 4.935 29.018 ( 2.231 4.338 0.750) 4.935 ======================= Grid point 124 (69/96) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -3.999 -10.276 15.453) 18.984 1.763 ( -3.999 10.276 15.453) 18.984 2.002 ( -5.410 -5.440 17.580) 19.181 2.002 ( -5.410 5.440 17.580) 19.181 2.444 ( -0.500 -7.511 -2.486) 7.927 2.444 ( -0.500 7.511 -2.486) 7.927 2.770 ( -0.663 -3.581 -4.195) 5.555 2.770 ( -0.663 3.581 -4.195) 5.555 3.079 ( -1.491 -6.038 7.375) 9.648 3.079 ( -1.491 6.038 7.375) 9.648 3.165 ( -0.567 -13.694 5.808) 14.886 3.165 ( -0.567 13.694 5.808) 14.886 3.392 ( -5.514 -17.051 14.277) 22.912 3.392 ( -5.514 17.051 14.277) 22.912 3.651 ( 2.625 -5.051 15.596) 16.602 3.651 ( 2.625 5.051 15.596) 16.602 3.894 ( 6.534 -9.828 21.500) 24.526 3.894 ( 6.534 9.828 21.500) 24.526 4.152 ( 4.321 -4.014 9.216) 10.942 4.152 ( 4.321 4.014 9.216) 10.942 4.457 ( 3.611 -3.546 10.955) 12.068 4.457 ( 3.611 3.546 10.955) 12.068 4.623 ( 2.668 -1.993 -4.231) 5.384 4.623 ( 2.668 1.993 -4.231) 5.384 5.125 ( -0.989 -3.034 -2.617) 4.127 5.125 ( -0.989 3.034 -2.617) 4.127 5.315 ( -0.041 -1.307 -1.150) 1.741 5.315 ( -0.041 1.307 -1.150) 1.741 5.549 ( -3.471 -0.584 -5.155) 6.242 5.549 ( -3.471 0.584 -5.155) 6.242 5.747 ( -3.257 -0.884 -5.356) 6.330 5.747 ( -3.257 0.884 -5.356) 6.330 5.980 ( -2.697 -4.310 -3.134) 5.972 5.980 ( -2.697 4.310 -3.134) 5.972 6.128 ( 1.062 -3.058 -3.299) 4.622 6.128 ( 1.062 3.058 -3.299) 4.622 6.724 ( -0.999 -6.423 -0.596) 6.527 6.724 ( -0.999 6.423 -0.596) 6.527 7.087 ( 2.083 -8.292 -6.557) 10.775 7.087 ( 2.083 8.292 -6.557) 10.775 7.442 ( 0.187 -2.792 8.053) 8.525 7.442 ( 0.187 2.792 8.053) 8.525 7.803 ( -1.490 -2.532 4.834) 5.657 7.803 ( -1.490 2.532 4.834) 5.657 8.253 ( 1.477 -4.555 -8.219) 9.512 8.253 ( 1.477 4.555 -8.219) 9.512 8.523 ( -0.950 -5.017 -7.358) 8.957 8.523 ( -0.950 5.017 -7.358) 8.957 8.976 ( 1.813 -7.562 -2.447) 8.152 8.976 ( 1.813 7.562 -2.447) 8.152 9.227 ( -1.213 -5.521 -0.081) 5.653 9.227 ( -1.213 5.521 -0.081) 5.653 9.477 ( -1.932 -3.505 -7.905) 8.861 9.477 ( -1.932 3.505 -7.905) 8.861 9.647 ( 2.726 -5.068 -7.215) 9.229 9.647 ( 2.726 5.068 -7.215) 9.229 10.041 ( -0.521 -2.553 -1.679) 3.100 10.041 ( -0.521 2.553 -1.679) 3.100 10.268 ( 0.488 -3.042 -0.521) 3.125 10.268 ( 0.488 3.042 -0.521) 3.125 10.740 ( 2.221 -4.587 6.263) 8.075 10.740 ( 2.221 4.587 6.263) 8.075 11.041 ( 0.342 -4.052 14.762) 15.311 11.041 ( 0.342 4.052 14.762) 15.311 11.303 ( 0.297 -5.284 2.897) 6.033 11.303 ( 0.297 5.284 2.897) 6.033 11.577 ( -2.750 -4.609 7.354) 9.104 11.577 ( -2.750 4.609 7.354) 9.104 12.015 ( -1.829 -3.776 8.752) 9.706 12.015 ( -1.829 3.776 8.752) 9.706 12.368 ( 5.635 -7.484 -1.096) 9.432 12.368 ( 5.635 7.484 -1.096) 9.432 12.798 ( 0.497 -4.178 -5.629) 7.027 12.798 ( 0.497 4.178 -5.629) 7.027 13.120 ( -5.442 -4.324 -0.330) 6.958 13.120 ( -5.442 4.324 -0.330) 6.958 13.514 ( 4.093 -0.259 -8.233) 9.198 13.514 ( 4.093 0.259 -8.233) 9.198 13.885 ( 0.227 -2.360 -6.554) 6.969 13.885 ( 0.227 2.360 -6.554) 6.969 14.104 ( -3.591 -5.098 -3.709) 7.256 14.104 ( -3.591 5.098 -3.709) 7.256 14.818 ( -4.017 -10.341 7.356) 13.311 14.818 ( -4.017 10.341 7.356) 13.311 15.381 ( 1.702 -8.613 -1.251) 8.868 15.381 ( 1.702 8.613 -1.251) 8.868 16.174 ( -4.577 -7.031 -2.734) 8.824 16.174 ( -4.577 7.031 -2.734) 8.824 16.474 ( -3.221 -7.982 29.714) 30.935 16.474 ( -3.221 7.982 29.714) 30.935 17.628 ( 9.430 -2.757 14.499) 17.514 17.628 ( 9.430 2.757 14.499) 17.514 18.125 ( 1.381 -1.839 -2.642) 3.503 18.125 ( 1.381 1.839 -2.642) 3.503 18.628 ( 9.357 -5.103 4.046) 11.400 18.628 ( 9.357 5.103 4.046) 11.400 19.037 ( 4.469 -7.295 -10.430) 13.490 19.037 ( 4.469 7.295 -10.430) 13.490 20.138 ( 8.654 -7.045 -3.070) 11.573 20.138 ( 8.654 7.045 -3.070) 11.573 21.970 ( -17.442 -17.724 38.890) 46.160 21.970 ( -17.442 17.724 38.890) 46.160 24.677 ( 2.368 -4.623 -10.387) 11.613 24.677 ( 2.368 4.623 -10.387) 11.613 27.060 ( 4.560 -16.684 -0.984) 17.324 27.060 ( 4.560 16.684 -0.984) 17.324 29.056 ( 1.241 -5.009 -0.725) 5.211 29.056 ( 1.241 5.009 -0.725) 5.211 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -1.458 0.000 18.290) 18.348 1.706 ( 1.194 0.000 -12.495) 12.552 1.811 ( -1.460 0.000 28.335) 28.373 2.186 ( -0.355 0.000 -0.477) 0.595 2.338 ( 1.449 0.000 -21.932) 21.980 2.486 ( -0.392 0.000 -1.790) 1.832 2.651 ( -0.434 0.000 1.524) 1.585 2.837 ( 0.340 0.000 2.961) 2.981 2.907 ( 0.588 0.000 2.309) 2.382 3.105 ( -1.372 0.000 1.860) 2.311 3.328 ( 0.127 0.000 13.187) 13.188 3.433 ( -0.993 0.000 17.110) 17.139 3.493 ( -2.708 0.000 28.097) 28.227 3.518 ( -0.439 0.000 -6.528) 6.542 3.627 ( 2.323 0.000 -3.197) 3.952 4.183 ( -0.816 0.000 -28.266) 28.277 4.388 ( 1.121 0.000 17.273) 17.310 4.477 ( 0.003 0.000 6.314) 6.314 4.648 ( 1.316 0.000 12.945) 13.011 4.741 ( 3.537 0.000 16.559) 16.932 4.766 ( -4.632 0.000 19.550) 20.092 4.813 ( -0.343 0.000 9.262) 9.269 4.918 ( 2.154 0.000 2.501) 3.300 4.974 ( -0.060 0.000 3.134) 3.134 4.984 ( 0.132 0.000 4.526) 4.527 5.127 ( -0.321 0.000 -2.297) 2.319 5.151 ( -1.983 0.000 -12.748) 12.901 5.216 ( -1.626 0.000 -8.569) 8.722 5.332 ( 4.949 0.000 -0.679) 4.995 5.370 ( -4.680 0.000 -3.571) 5.887 5.460 ( 2.014 0.000 0.003) 2.014 5.510 ( 2.093 0.000 -0.902) 2.279 5.589 ( -2.137 0.000 -8.964) 9.216 5.700 ( -0.881 0.000 -8.977) 9.020 5.922 ( 0.308 0.000 -7.643) 7.649 6.162 ( 0.157 0.000 -3.584) 3.587 6.398 ( 0.188 0.000 2.838) 2.844 6.683 ( -0.100 0.000 -2.636) 2.637 6.922 ( 0.715 0.000 3.329) 3.405 7.129 ( -1.749 0.000 -5.908) 6.161 7.549 ( 0.461 0.000 1.237) 1.320 7.625 ( 0.576 0.000 0.027) 0.577 7.833 ( -1.054 0.000 3.020) 3.199 7.938 ( -4.959 0.000 1.863) 5.297 8.057 ( 4.023 0.000 -7.331) 8.362 8.198 ( 1.799 0.000 1.637) 2.432 8.214 ( 0.439 0.000 0.338) 0.554 8.551 ( 0.317 0.000 -6.697) 6.705 8.950 ( -3.664 0.000 2.438) 4.401 9.050 ( -0.497 0.000 -1.279) 1.372 9.088 ( 1.536 0.000 -2.222) 2.701 9.179 ( -1.151 0.000 -2.247) 2.524 9.299 ( 1.664 0.000 -3.332) 3.725 9.444 ( -0.749 0.000 5.984) 6.030 9.498 ( -0.857 0.000 -8.667) 8.710 9.652 ( 2.087 0.000 -12.611) 12.783 9.988 ( -2.237 0.000 0.131) 2.240 10.071 ( 0.421 0.000 -1.196) 1.268 10.240 ( 1.216 0.000 -0.140) 1.224 10.561 ( 2.803 0.000 2.556) 3.794 10.625 ( -2.617 0.000 -2.338) 3.509 10.796 ( 1.081 0.000 -1.782) 2.085 10.959 ( 2.992 0.000 4.763) 5.625 11.307 ( 2.879 0.000 11.807) 12.153 11.375 ( -8.252 0.000 0.686) 8.280 11.461 ( 1.727 0.000 1.329) 2.179 11.515 ( 3.360 0.000 -1.410) 3.644 11.814 ( -2.915 0.000 4.411) 5.287 12.023 ( 2.260 0.000 3.803) 4.424 12.371 ( 1.732 0.000 9.034) 9.199 12.433 ( -2.102 0.000 4.681) 5.132 12.577 ( -1.822 0.000 -4.627) 4.972 12.622 ( 3.211 0.000 2.177) 3.879 12.765 ( -4.602 0.000 -11.811) 12.676 12.821 ( 5.212 0.000 2.214) 5.663 13.000 ( -3.689 0.000 -5.739) 6.822 13.242 ( -0.642 0.000 -1.507) 1.638 13.454 ( -0.953 0.000 -1.123) 1.473 13.713 ( 1.138 0.000 -0.735) 1.354 13.873 ( -0.382 0.000 -1.212) 1.271 13.955 ( -0.310 0.000 -1.364) 1.399 14.184 ( 0.928 0.000 -4.814) 4.902 14.862 ( 1.546 0.000 2.881) 3.269 14.957 ( 1.245 0.000 -0.553) 1.362 15.410 ( -3.641 0.000 7.411) 8.257 15.525 ( 1.522 0.000 -3.839) 4.129 15.914 ( 0.839 0.000 0.391) 0.925 16.291 ( -2.662 0.000 -0.612) 2.732 16.727 ( -0.192 0.000 19.410) 19.411 17.084 ( -1.269 0.000 16.456) 16.505 17.760 ( -1.864 0.000 -5.424) 5.735 17.869 ( 3.555 0.000 -5.600) 6.633 18.027 ( -1.180 0.000 14.481) 14.529 18.394 ( 0.700 0.000 0.230) 0.736 18.648 ( -0.209 0.000 0.592) 0.628 18.734 ( -0.599 0.000 3.469) 3.521 18.847 ( 6.337 0.000 -3.055) 7.035 18.965 ( -3.640 0.000 -13.415) 13.900 19.829 ( -5.889 0.000 0.028) 5.889 20.176 ( -4.696 0.000 -1.264) 4.863 22.258 ( 5.164 0.000 26.347) 26.848 23.144 ( 1.263 0.000 -0.467) 1.346 24.292 ( -0.980 0.000 -7.075) 7.143 24.724 ( 0.591 0.000 -4.021) 4.065 26.493 ( -0.329 0.000 0.136) 0.356 27.830 ( 1.654 0.000 -1.801) 2.446 28.910 ( -0.832 0.000 -0.898) 1.224 29.015 ( -0.995 0.000 0.392) 1.070 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 9.498 0.000 16.128) 18.717 1.787 ( 5.498 0.000 -8.208) 9.880 1.845 ( 5.792 0.000 23.455) 24.160 2.177 ( -0.164 0.000 -1.075) 1.087 2.326 ( -3.347 0.000 -9.787) 10.343 2.423 ( -1.547 0.000 -9.876) 9.996 2.742 ( 4.795 0.000 3.416) 5.887 2.841 ( 0.542 0.000 2.269) 2.333 2.887 ( -1.851 0.000 -0.729) 1.989 2.980 ( -9.271 0.000 5.678) 10.871 3.315 ( -6.172 0.000 4.975) 7.927 3.405 ( -1.305 0.000 3.641) 3.868 3.483 ( 0.823 0.000 5.176) 5.241 3.611 ( 12.292 0.000 36.140) 38.174 3.662 ( 3.995 0.000 -3.511) 5.319 4.130 ( -16.716 0.000 6.377) 17.891 4.221 ( -11.869 0.000 -2.137) 12.060 4.338 ( 0.791 0.000 -16.966) 16.985 4.586 ( -5.216 0.000 12.891) 13.906 4.683 ( -2.951 0.000 23.238) 23.425 4.745 ( -4.727 0.000 19.541) 20.104 4.777 ( -2.638 0.000 13.647) 13.900 4.883 ( -4.656 0.000 -0.251) 4.663 4.893 ( -6.252 0.000 -3.831) 7.332 5.032 ( -6.058 0.000 -3.634) 7.064 5.120 ( -2.649 0.000 -2.448) 3.607 5.175 ( 3.121 0.000 -1.371) 3.409 5.260 ( 7.752 0.000 5.556) 9.538 5.347 ( 6.794 0.000 -8.854) 11.160 5.439 ( 2.862 0.000 -3.955) 4.882 5.538 ( 4.010 0.000 -3.393) 5.253 5.613 ( 7.807 0.000 -6.901) 10.419 5.678 ( 9.616 0.000 -4.940) 10.811 5.757 ( 6.823 0.000 -4.223) 8.024 5.933 ( 0.742 0.000 -6.553) 6.595 6.154 ( -1.224 0.000 -3.010) 3.249 6.432 ( 3.035 0.000 2.169) 3.731 6.694 ( 1.214 0.000 -1.835) 2.200 6.918 ( -1.113 0.000 1.840) 2.151 7.077 ( -2.711 0.000 -2.799) 3.897 7.516 ( -1.834 0.000 0.289) 1.856 7.630 ( -0.509 0.000 -1.467) 1.552 7.767 ( -5.879 0.000 3.763) 6.981 7.890 ( 0.400 0.000 4.591) 4.608 8.159 ( 4.929 0.000 -4.489) 6.666 8.184 ( -1.796 0.000 -9.110) 9.285 8.261 ( 2.280 0.000 5.615) 6.061 8.586 ( 2.347 0.000 -8.230) 8.558 8.822 ( -6.950 0.000 5.217) 8.690 9.037 ( -1.083 0.000 -1.926) 2.210 9.098 ( -0.073 0.000 -0.425) 0.432 9.202 ( 1.779 0.000 -2.864) 3.371 9.306 ( 0.186 0.000 -2.013) 2.021 9.456 ( -1.265 0.000 -3.842) 4.045 9.483 ( 1.856 0.000 -1.473) 2.369 9.761 ( 6.837 0.000 -10.855) 12.828 9.914 ( -4.181 0.000 6.067) 7.368 10.097 ( 2.335 0.000 -0.373) 2.365 10.220 ( -2.001 0.000 -2.562) 3.251 10.464 ( -8.959 0.000 -1.538) 9.090 10.644 ( 3.527 0.000 3.520) 4.983 10.848 ( 4.000 0.000 -3.674) 5.431 11.090 ( 4.988 0.000 -5.293) 7.273 11.163 ( -8.513 0.000 5.235) 9.993 11.398 ( 4.144 0.000 9.679) 10.529 11.520 ( 4.299 0.000 0.973) 4.408 11.633 ( 6.459 0.000 1.265) 6.581 11.777 ( -0.757 0.000 9.836) 9.866 12.037 ( -1.244 0.000 0.461) 1.326 12.293 ( -9.358 0.000 3.412) 9.961 12.371 ( -1.533 0.000 7.164) 7.326 12.502 ( -3.256 0.000 1.584) 3.621 12.652 ( -3.586 0.000 -4.846) 6.028 12.667 ( -2.813 0.000 -5.533) 6.207 12.867 ( 3.563 0.000 -2.976) 4.642 13.178 ( 13.224 0.000 -3.206) 13.607 13.197 ( -3.303 0.000 -2.177) 3.956 13.490 ( 5.403 0.000 0.939) 5.484 13.705 ( -1.823 0.000 -1.190) 2.177 13.841 ( -0.563 0.000 -1.397) 1.506 13.991 ( 1.762 0.000 -0.482) 1.827 14.186 ( -1.002 0.000 -6.531) 6.607 14.923 ( 4.637 0.000 -1.115) 4.769 15.038 ( 5.719 0.000 -1.900) 6.026 15.310 ( -6.151 0.000 9.848) 11.612 15.528 ( 0.564 0.000 -1.799) 1.886 15.895 ( -2.779 0.000 -1.402) 3.112 16.280 ( 1.461 0.000 4.284) 4.526 16.743 ( 1.611 0.000 19.109) 19.177 17.111 ( 3.316 0.000 18.552) 18.846 17.674 ( -6.548 0.000 1.516) 6.722 17.911 ( -0.877 0.000 -5.517) 5.586 17.993 ( -1.131 0.000 9.038) 9.109 18.355 ( -4.587 0.000 -2.759) 5.353 18.541 ( -11.040 0.000 4.458) 11.906 18.649 ( -4.256 0.000 -3.746) 5.670 18.877 ( -3.977 0.000 -6.144) 7.319 18.947 ( 0.381 0.000 -6.302) 6.314 19.584 ( -14.306 0.000 12.917) 19.275 20.075 ( -4.726 0.000 6.512) 8.046 22.506 ( 16.966 0.000 15.207) 22.784 23.152 ( -0.138 0.000 -2.186) 2.190 24.273 ( -0.842 0.000 -5.448) 5.512 24.676 ( -5.143 0.000 -4.734) 6.990 26.487 ( -0.287 0.000 0.520) 0.594 27.718 ( -11.778 0.000 -2.606) 12.063 28.832 ( -3.522 0.000 2.366) 4.243 29.077 ( 3.776 0.000 -0.026) 3.777 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 16.367 0.000 11.369) 19.928 1.920 ( 8.151 0.000 1.280) 8.251 2.043 ( 12.415 0.000 10.837) 16.479 2.197 ( 2.513 0.000 2.101) 3.275 2.274 ( 0.642 0.000 -2.465) 2.547 2.448 ( 3.897 0.000 -13.206) 13.769 2.644 ( -11.061 0.000 3.435) 11.582 2.774 ( -7.822 0.000 0.902) 7.874 2.880 ( -1.113 0.000 -1.907) 2.208 2.930 ( 2.959 0.000 6.403) 7.053 3.190 ( -3.645 0.000 1.617) 3.988 3.307 ( -6.484 0.000 0.521) 6.504 3.572 ( 5.427 0.000 7.968) 9.641 3.699 ( -12.758 0.000 3.038) 13.115 3.753 ( -7.938 0.000 -2.153) 8.225 3.836 ( -9.782 0.000 3.511) 10.393 4.035 ( 16.613 0.000 27.373) 32.020 4.369 ( -7.595 0.000 16.320) 18.001 4.563 ( 1.706 0.000 0.419) 1.756 4.584 ( -5.403 0.000 22.412) 23.054 4.658 ( -10.147 0.000 1.741) 10.296 4.693 ( -0.054 0.000 7.891) 7.891 4.714 ( -6.982 0.000 1.937) 7.246 4.755 ( -2.497 0.000 -3.357) 4.184 4.974 ( 1.156 0.000 -4.139) 4.297 5.052 ( -2.485 0.000 -1.552) 2.930 5.243 ( 2.856 0.000 -0.204) 2.863 5.341 ( -0.180 0.000 -1.176) 1.190 5.461 ( 4.342 0.000 -1.770) 4.688 5.503 ( 1.962 0.000 -7.600) 7.849 5.639 ( 4.602 0.000 0.757) 4.664 5.773 ( 6.067 0.000 -8.601) 10.526 5.857 ( 6.601 0.000 -1.605) 6.793 5.939 ( 6.674 0.000 -4.479) 8.037 5.985 ( 7.567 0.000 -2.303) 7.910 6.112 ( -2.180 0.000 -1.851) 2.860 6.510 ( 4.363 0.000 1.493) 4.611 6.729 ( 2.097 0.000 -0.283) 2.116 6.884 ( -1.780 0.000 -1.283) 2.194 7.044 ( -0.314 0.000 0.121) 0.336 7.520 ( 2.218 0.000 -0.376) 2.250 7.595 ( -3.102 0.000 -3.044) 4.346 7.663 ( -2.767 0.000 6.244) 6.830 7.886 ( -1.356 0.000 3.917) 4.145 8.140 ( -2.440 0.000 -8.238) 8.591 8.230 ( 0.240 0.000 -0.940) 0.970 8.278 ( 0.845 0.000 0.222) 0.874 8.599 ( -1.299 0.000 -10.879) 10.957 8.707 ( -4.235 0.000 12.818) 13.499 9.001 ( -1.993 0.000 -4.314) 4.752 9.064 ( -4.913 0.000 -7.171) 8.693 9.270 ( 4.394 0.000 -2.218) 4.922 9.317 ( 2.164 0.000 0.789) 2.304 9.430 ( -0.109 0.000 -6.347) 6.348 9.519 ( -0.021 0.000 4.404) 4.404 9.762 ( -2.777 0.000 2.792) 3.938 9.931 ( 1.192 0.000 2.465) 2.738 10.170 ( 2.828 0.000 -2.048) 3.491 10.184 ( -0.048 0.000 -6.122) 6.122 10.351 ( -0.338 0.000 0.452) 0.565 10.705 ( 1.787 0.000 2.994) 3.486 10.935 ( -5.290 0.000 1.945) 5.636 10.949 ( 1.884 0.000 -8.358) 8.567 11.210 ( 3.026 0.000 0.340) 3.045 11.468 ( 4.003 0.000 7.048) 8.105 11.638 ( 4.679 0.000 8.648) 9.832 11.731 ( 2.959 0.000 2.585) 3.928 11.784 ( 1.946 0.000 9.833) 10.024 11.981 ( -3.351 0.000 2.768) 4.346 12.100 ( -8.626 0.000 2.252) 8.915 12.327 ( -2.797 0.000 3.835) 4.747 12.467 ( -0.923 0.000 -1.475) 1.740 12.537 ( -6.006 0.000 -4.824) 7.703 12.643 ( -0.356 0.000 -7.112) 7.121 12.968 ( 3.138 0.000 1.427) 3.447 13.136 ( 1.843 0.000 -2.773) 3.329 13.387 ( 4.968 0.000 -5.256) 7.232 13.575 ( -2.704 0.000 -2.710) 3.829 13.690 ( 3.035 0.000 3.161) 4.382 13.912 ( 7.414 0.000 -1.600) 7.585 13.997 ( -0.078 0.000 -0.533) 0.539 14.158 ( -0.721 0.000 -8.545) 8.575 15.003 ( 0.202 0.000 -2.801) 2.808 15.143 ( 4.186 0.000 1.091) 4.326 15.249 ( 3.778 0.000 5.218) 6.443 15.605 ( 7.288 0.000 0.711) 7.322 15.830 ( -2.632 0.000 0.166) 2.637 16.315 ( 1.138 0.000 4.893) 5.023 16.796 ( 3.605 0.000 17.864) 18.224 17.186 ( 3.188 0.000 19.479) 19.739 17.509 ( -8.826 0.000 12.352) 15.181 17.840 ( -5.636 0.000 -3.352) 6.557 17.951 ( -4.632 0.000 5.566) 7.241 18.206 ( -9.731 0.000 -4.550) 10.742 18.308 ( -8.907 0.000 0.772) 8.940 18.569 ( -3.715 0.000 -5.792) 6.881 18.768 ( -6.464 0.000 -3.788) 7.492 18.873 ( -6.975 0.000 0.926) 7.036 19.367 ( -6.478 0.000 12.864) 14.403 20.000 ( -2.415 0.000 7.123) 7.521 22.874 ( 17.825 0.000 8.985) 19.961 23.163 ( 1.680 0.000 0.046) 1.681 24.255 ( -0.949 0.000 -4.368) 4.470 24.533 ( -8.272 0.000 -4.488) 9.411 26.475 ( -1.026 0.000 0.185) 1.042 27.430 ( -14.583 0.000 -0.331) 14.586 28.794 ( -0.662 0.000 3.653) 3.713 29.123 ( 0.691 0.000 -0.995) 1.211 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 12.082 0.000 2.646) 12.369 2.132 ( 15.423 0.000 7.541) 17.168 2.264 ( 7.557 0.000 7.290) 10.500 2.320 ( 8.298 0.000 0.455) 8.311 2.383 ( 9.068 0.000 -1.483) 9.189 2.462 ( -4.191 0.000 0.525) 4.224 2.575 ( 7.537 0.000 -7.555) 10.672 2.658 ( -1.800 0.000 3.225) 3.693 2.814 ( -2.619 0.000 -1.018) 2.810 2.928 ( -2.658 0.000 4.157) 4.934 3.108 ( -10.966 0.000 -2.191) 11.183 3.135 ( -8.654 0.000 3.348) 9.279 3.347 ( -13.866 0.000 3.689) 14.348 3.486 ( -13.522 0.000 -4.428) 14.228 3.659 ( 1.162 0.000 4.386) 4.538 3.761 ( -5.250 0.000 -2.167) 5.680 4.135 ( -9.282 0.000 15.297) 17.893 4.344 ( -12.512 0.000 -1.851) 12.649 4.474 ( 4.022 0.000 26.542) 26.845 4.516 ( 13.431 0.000 22.753) 26.421 4.542 ( -4.189 0.000 21.502) 21.906 4.649 ( -0.497 0.000 10.853) 10.865 4.722 ( 3.178 0.000 -0.696) 3.253 4.857 ( 5.610 0.000 -4.770) 7.364 5.042 ( 2.828 0.000 -0.914) 2.972 5.088 ( 8.061 0.000 -12.852) 15.171 5.258 ( -1.003 0.000 -6.546) 6.622 5.344 ( 1.895 0.000 0.173) 1.903 5.483 ( -2.641 0.000 -6.068) 6.618 5.513 ( 0.138 0.000 -1.335) 1.342 5.671 ( -3.248 0.000 -1.454) 3.559 5.800 ( -3.372 0.000 -10.262) 10.802 5.930 ( 3.628 0.000 4.416) 5.715 6.044 ( 2.837 0.000 -5.784) 6.442 6.127 ( 4.091 0.000 0.665) 4.145 6.136 ( 4.418 0.000 -0.975) 4.524 6.607 ( 5.186 0.000 0.770) 5.243 6.770 ( 1.695 0.000 1.597) 2.328 6.866 ( 0.360 0.000 -3.357) 3.376 7.046 ( -0.285 0.000 -0.244) 0.375 7.499 ( -2.692 0.000 1.217) 2.954 7.609 ( 1.999 0.000 4.423) 4.853 7.690 ( 6.304 0.000 -2.756) 6.880 7.838 ( -2.925 0.000 1.302) 3.201 8.081 ( -3.399 0.000 -4.801) 5.883 8.154 ( -5.541 0.000 2.707) 6.167 8.328 ( 2.674 0.000 -1.040) 2.870 8.559 ( -1.889 0.000 -11.029) 11.190 8.642 ( -2.292 0.000 13.401) 13.596 8.940 ( -6.150 0.000 -10.348) 12.037 8.959 ( -2.323 0.000 -5.905) 6.345 9.255 ( -2.302 0.000 -2.189) 3.177 9.375 ( -1.085 0.000 4.020) 4.163 9.480 ( 2.918 0.000 2.850) 4.079 9.541 ( 5.293 0.000 -5.323) 7.506 9.761 ( 1.948 0.000 5.156) 5.512 9.880 ( -4.114 0.000 5.498) 6.866 10.172 ( -0.249 0.000 -7.040) 7.045 10.187 ( -2.645 0.000 -7.246) 7.713 10.424 ( 4.533 0.000 4.727) 6.550 10.706 ( -1.486 0.000 -1.549) 2.147 10.821 ( -2.431 0.000 1.923) 3.099 11.044 ( 3.911 0.000 -5.241) 6.539 11.290 ( 5.598 0.000 7.597) 9.436 11.555 ( 3.414 0.000 7.884) 8.592 11.666 ( -0.887 0.000 10.846) 10.882 11.747 ( -0.294 0.000 8.713) 8.718 11.855 ( 2.876 0.000 3.294) 4.373 11.942 ( -0.314 0.000 0.509) 0.598 11.992 ( -0.935 0.000 3.414) 3.539 12.259 ( -3.650 0.000 -0.650) 3.707 12.384 ( -5.349 0.000 -8.193) 9.784 12.504 ( 0.831 0.000 -2.980) 3.093 12.599 ( -3.375 0.000 -3.367) 4.767 13.030 ( 4.431 0.000 -2.029) 4.873 13.222 ( 2.410 0.000 -0.867) 2.561 13.372 ( -4.152 0.000 -3.577) 5.481 13.468 ( -5.216 0.000 0.320) 5.225 13.781 ( 5.314 0.000 2.187) 5.746 13.925 ( -2.557 0.000 -4.749) 5.393 14.077 ( 1.245 0.000 1.077) 1.646 14.232 ( 8.356 0.000 -10.638) 13.528 14.974 ( 0.161 0.000 2.840) 2.844 15.230 ( 3.551 0.000 2.561) 4.378 15.377 ( 4.749 0.000 -4.314) 6.416 15.800 ( 10.590 0.000 -2.542) 10.891 15.830 ( 3.868 0.000 8.693) 9.515 16.315 ( -1.006 0.000 2.446) 2.645 16.891 ( 5.601 0.000 16.424) 17.353 17.210 ( -1.679 0.000 18.006) 18.084 17.369 ( -3.588 0.000 16.292) 16.682 17.637 ( -13.434 0.000 0.293) 13.437 17.851 ( -3.724 0.000 10.697) 11.327 18.035 ( -6.462 0.000 -0.906) 6.525 18.185 ( -4.009 0.000 -11.007) 11.715 18.490 ( -4.284 0.000 -2.095) 4.769 18.629 ( -6.538 0.000 -3.788) 7.557 18.720 ( -6.952 0.000 3.868) 7.956 19.298 ( -0.859 0.000 6.819) 6.873 19.976 ( -0.187 0.000 4.833) 4.837 23.181 ( 9.670 0.000 11.682) 15.165 23.229 ( 6.208 0.000 -1.009) 6.289 24.238 ( -0.558 0.000 -4.089) 4.127 24.367 ( -7.243 0.000 -3.727) 8.146 26.447 ( -1.537 0.000 -0.612) 1.655 27.176 ( -9.820 0.000 -0.191) 9.822 28.792 ( 0.324 0.000 3.048) 3.065 29.115 ( -1.189 0.000 -0.747) 1.404 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.260 ( 4.855 0.000 2.452) 5.439 2.349 ( 2.062 0.000 4.681) 5.115 2.403 ( 6.233 0.000 2.263) 6.631 2.432 ( 4.250 0.000 1.077) 4.384 2.533 ( 11.975 0.000 1.508) 12.069 2.575 ( 4.247 0.000 0.463) 4.272 2.646 ( 5.767 0.000 0.591) 5.797 2.776 ( 5.407 0.000 0.025) 5.407 2.791 ( -10.644 0.000 -1.367) 10.731 2.823 ( -2.564 0.000 -1.412) 2.928 2.865 ( -9.774 0.000 0.755) 9.803 2.949 ( -2.460 0.000 2.057) 3.206 3.212 ( 0.247 0.000 -0.017) 0.247 3.305 ( -1.603 0.000 -2.143) 2.676 3.533 ( -11.470 0.000 3.597) 12.021 3.547 ( -12.243 0.000 0.069) 12.243 4.081 ( 1.399 0.000 6.938) 7.077 4.197 ( -1.842 0.000 2.467) 3.079 4.419 ( -1.937 0.000 23.377) 23.457 4.472 ( -2.553 0.000 21.819) 21.968 4.659 ( 1.004 0.000 12.981) 13.019 4.768 ( 1.096 0.000 4.670) 4.797 4.836 ( 6.765 0.000 6.872) 9.643 5.028 ( 12.381 0.000 13.201) 18.098 5.125 ( -2.612 0.000 -13.056) 13.314 5.160 ( 7.987 0.000 -4.624) 9.229 5.301 ( 2.407 0.000 -0.139) 2.411 5.357 ( -1.638 0.000 -6.889) 7.081 5.422 ( -3.150 0.000 -3.137) 4.446 5.505 ( -11.184 0.000 0.336) 11.189 5.558 ( 7.089 0.000 -7.161) 10.077 5.686 ( -7.509 0.000 -9.831) 12.371 6.014 ( 3.740 0.000 2.011) 4.246 6.073 ( -0.164 0.000 -3.710) 3.714 6.172 ( 0.623 0.000 0.573) 0.846 6.186 ( 0.759 0.000 -1.180) 1.403 6.710 ( 4.425 0.000 -0.193) 4.429 6.792 ( -0.301 0.000 -0.971) 1.017 6.894 ( 2.459 0.000 0.726) 2.564 7.012 ( -3.034 0.000 -2.062) 3.668 7.478 ( 0.238 0.000 2.131) 2.144 7.646 ( 2.104 0.000 1.960) 2.875 7.778 ( -1.406 0.000 1.004) 1.728 7.837 ( 3.492 0.000 -1.390) 3.759 8.014 ( -2.503 0.000 -2.628) 3.629 8.061 ( -1.905 0.000 1.913) 2.700 8.368 ( 1.061 0.000 2.721) 2.920 8.527 ( -1.428 0.000 -8.316) 8.438 8.622 ( 0.298 0.000 8.088) 8.093 8.840 ( -3.217 0.000 -11.949) 12.374 8.919 ( -0.815 0.000 -5.391) 5.452 9.211 ( -1.657 0.000 -6.130) 6.350 9.369 ( 1.246 0.000 4.315) 4.492 9.493 ( -0.554 0.000 1.442) 1.545 9.663 ( 5.203 0.000 -2.456) 5.753 9.800 ( -0.867 0.000 6.305) 6.365 9.830 ( 1.175 0.000 3.026) 3.246 10.090 ( -5.198 0.000 -6.538) 8.353 10.156 ( -1.797 0.000 -4.469) 4.817 10.488 ( 2.077 0.000 5.733) 6.097 10.664 ( -2.217 0.000 -4.350) 4.883 10.821 ( 1.314 0.000 2.745) 3.043 11.091 ( 0.601 0.000 -1.417) 1.539 11.414 ( 5.159 0.000 15.449) 16.288 11.559 ( -2.651 0.000 12.658) 12.933 11.641 ( -1.366 0.000 6.338) 6.483 11.765 ( 1.730 0.000 6.901) 7.115 11.899 ( 2.076 0.000 5.991) 6.341 11.950 ( 0.315 0.000 0.773) 0.834 12.027 ( 3.444 0.000 -4.360) 5.557 12.199 ( -1.712 0.000 -5.696) 5.947 12.290 ( -3.791 0.000 -8.837) 9.616 12.518 ( 0.323 0.000 -2.586) 2.606 12.546 ( -1.443 0.000 -1.358) 1.981 13.122 ( 3.135 0.000 -3.305) 4.555 13.179 ( -2.400 0.000 -2.864) 3.736 13.291 ( -4.568 0.000 -1.217) 4.727 13.441 ( 2.010 0.000 2.825) 3.467 13.859 ( -0.783 0.000 -5.739) 5.792 13.891 ( 2.275 0.000 0.791) 2.409 14.069 ( -1.255 0.000 -0.636) 1.407 14.352 ( 2.427 0.000 -7.206) 7.604 15.037 ( 4.809 0.000 4.567) 6.632 15.269 ( -0.392 0.000 3.136) 3.161 15.378 ( -2.904 0.000 -4.930) 5.722 15.943 ( 4.661 0.000 10.078) 11.104 16.016 ( 9.555 0.000 -4.673) 10.637 16.283 ( -1.945 0.000 -0.478) 2.003 17.020 ( 6.874 0.000 15.312) 16.784 17.140 ( -4.082 0.000 14.676) 15.233 17.354 ( 0.687 0.000 14.691) 14.707 17.399 ( -7.879 0.000 4.575) 9.111 17.786 ( -2.836 0.000 15.110) 15.374 17.944 ( -2.487 0.000 -0.991) 2.677 18.130 ( -1.361 0.000 -14.055) 14.121 18.397 ( -3.979 0.000 4.881) 6.297 18.533 ( -2.550 0.000 -6.298) 6.795 18.624 ( -1.831 0.000 2.319) 2.954 19.316 ( 2.139 0.000 0.815) 2.289 19.983 ( 0.670 0.000 2.856) 2.934 23.258 ( 1.203 0.000 9.564) 9.639 23.367 ( 2.754 0.000 5.620) 6.258 24.240 ( 0.571 0.000 -3.634) 3.678 24.266 ( -1.878 0.000 -5.534) 5.844 26.423 ( -0.562 0.000 -1.494) 1.596 27.040 ( -3.414 0.000 -0.986) 3.554 28.805 ( 0.920 0.000 1.301) 1.594 29.088 ( -1.127 0.000 0.251) 1.155 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -3.303 0.000 4.901) 5.910 2.354 ( -10.473 0.000 2.713) 10.819 2.408 ( 0.008 0.000 -0.842) 0.842 2.458 ( -4.475 0.000 0.966) 4.578 2.534 ( -0.913 0.000 2.422) 2.589 2.605 ( -6.251 0.000 -2.273) 6.651 2.631 ( -11.440 0.000 0.673) 11.460 2.759 ( -4.573 0.000 -0.838) 4.650 2.796 ( 1.737 0.000 1.764) 2.476 2.817 ( 8.656 0.000 -0.569) 8.674 2.867 ( 14.004 0.000 -0.205) 14.006 2.977 ( 1.923 0.000 -0.637) 2.026 3.215 ( 0.288 0.000 -0.386) 0.481 3.282 ( -0.132 0.000 0.100) 0.165 3.517 ( 10.586 0.000 3.294) 11.086 3.570 ( 13.436 0.000 -0.316) 13.440 4.067 ( -0.451 0.000 8.583) 8.595 4.213 ( 0.498 0.000 0.470) 0.684 4.422 ( 2.149 0.000 22.011) 22.116 4.467 ( 2.694 0.000 24.143) 24.293 4.663 ( -1.216 0.000 9.911) 9.985 4.751 ( -3.329 0.000 6.461) 7.268 4.817 ( -7.607 0.000 9.176) 11.919 5.081 ( -1.181 0.000 -6.431) 6.539 5.134 ( -5.104 0.000 0.216) 5.108 5.258 ( -2.653 0.000 -3.613) 4.482 5.323 ( -2.426 0.000 -1.312) 2.758 5.339 ( -2.158 0.000 -8.197) 8.477 5.380 ( -0.360 0.000 0.388) 0.530 5.388 ( 7.697 0.000 -0.080) 7.697 5.552 ( -1.022 0.000 -4.991) 5.095 5.729 ( 7.723 0.000 -9.894) 12.551 6.035 ( -3.173 0.000 0.507) 3.213 6.061 ( 0.446 0.000 -2.336) 2.378 6.167 ( -1.181 0.000 0.404) 1.248 6.189 ( -0.313 0.000 -1.549) 1.580 6.722 ( -5.699 0.000 -0.592) 5.729 6.785 ( 2.850 0.000 -0.693) 2.933 6.912 ( -4.333 0.000 -1.135) 4.480 6.989 ( 3.826 0.000 -0.192) 3.831 7.482 ( -0.095 0.000 0.845) 0.851 7.688 ( 1.809 0.000 -1.325) 2.242 7.770 ( -3.473 0.000 4.076) 5.355 7.791 ( -1.406 0.000 0.840) 1.638 8.001 ( 1.333 0.000 -1.798) 2.238 8.103 ( 3.548 0.000 -1.648) 3.912 8.374 ( -0.460 0.000 4.209) 4.234 8.484 ( -3.059 0.000 -5.469) 6.267 8.660 ( 3.824 0.000 4.329) 5.777 8.821 ( 1.636 0.000 -9.851) 9.986 8.943 ( 2.734 0.000 -8.929) 9.339 9.208 ( 1.602 0.000 -6.643) 6.834 9.407 ( 1.674 0.000 0.290) 1.699 9.486 ( -0.047 0.000 2.034) 2.035 9.716 ( -2.825 0.000 -6.296) 6.900 9.781 ( 2.756 0.000 10.246) 10.610 9.861 ( 0.675 0.000 0.239) 0.716 10.018 ( -1.268 0.000 -0.834) 1.518 10.117 ( -1.822 0.000 -1.687) 2.483 10.521 ( 1.056 0.000 4.444) 4.568 10.614 ( -2.716 0.000 -1.019) 2.901 10.848 ( 1.194 0.000 0.941) 1.521 11.070 ( -2.369 0.000 0.252) 2.383 11.432 ( -5.467 0.000 10.856) 12.155 11.491 ( -1.451 0.000 18.755) 18.811 11.652 ( 1.950 0.000 5.468) 5.805 11.776 ( -0.947 0.000 7.183) 7.245 11.887 ( -2.656 0.000 -0.965) 2.826 11.983 ( 2.232 0.000 4.474) 5.000 12.127 ( 6.089 0.000 -5.543) 8.234 12.190 ( 0.366 0.000 -12.159) 12.165 12.251 ( 0.790 0.000 -3.843) 3.923 12.510 ( -0.559 0.000 -0.209) 0.597 12.547 ( 1.096 0.000 -3.320) 3.497 13.093 ( -4.252 0.000 -0.842) 4.334 13.219 ( 4.453 0.000 -6.506) 7.884 13.254 ( 1.237 0.000 2.464) 2.757 13.474 ( 0.637 0.000 0.230) 0.677 13.832 ( -0.497 0.000 -3.317) 3.354 13.942 ( 1.032 0.000 -4.524) 4.640 14.033 ( -1.734 0.000 2.861) 3.346 14.335 ( -3.894 0.000 -5.160) 6.464 15.064 ( -4.227 0.000 1.774) 4.584 15.247 ( 1.172 0.000 5.963) 6.077 15.333 ( -2.066 0.000 -0.968) 2.282 15.932 ( -5.624 0.000 4.002) 6.902 16.115 ( -2.217 0.000 -7.932) 8.235 16.281 ( 3.306 0.000 0.045) 3.307 17.042 ( -4.889 0.000 12.768) 13.672 17.168 ( 6.367 0.000 13.083) 14.550 17.348 ( 3.449 0.000 8.705) 9.363 17.401 ( 3.553 0.000 10.340) 10.934 17.760 ( 0.933 0.000 16.499) 16.525 17.919 ( -0.150 0.000 1.245) 1.254 18.128 ( 1.262 0.000 -12.874) 12.935 18.377 ( 2.217 0.000 5.902) 6.304 18.518 ( 0.929 0.000 -4.005) 4.111 18.659 ( 5.116 0.000 -1.323) 5.285 19.373 ( 3.477 0.000 -4.546) 5.723 20.001 ( 1.170 0.000 1.140) 1.633 23.240 ( -3.386 0.000 9.930) 10.491 23.315 ( -7.013 0.000 11.385) 13.371 24.247 ( 1.258 0.000 -5.991) 6.122 24.303 ( 3.824 0.000 -6.703) 7.717 26.429 ( 1.109 0.000 -2.097) 2.372 27.039 ( 3.272 0.000 -0.901) 3.394 28.827 ( 1.221 0.000 -0.975) 1.562 29.077 ( 0.062 0.000 1.458) 1.460 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( -13.857 0.000 3.469) 14.284 2.201 ( -4.272 0.000 8.174) 9.223 2.256 ( -13.914 0.000 -4.703) 14.687 2.334 ( -8.728 0.000 1.820) 8.916 2.385 ( -10.983 0.000 6.164) 12.594 2.477 ( 0.697 0.000 -5.919) 5.959 2.540 ( -1.123 0.000 -4.395) 4.536 2.697 ( -0.671 0.000 -0.904) 1.126 2.805 ( 2.332 0.000 0.411) 2.368 2.968 ( 4.666 0.000 -0.190) 4.670 3.065 ( 7.402 0.000 2.169) 7.714 3.172 ( 11.917 0.000 -0.749) 11.941 3.380 ( 14.789 0.000 3.382) 15.171 3.432 ( 12.118 0.000 -1.746) 12.244 3.652 ( 1.232 0.000 4.223) 4.399 3.784 ( 3.253 0.000 -3.900) 5.079 4.166 ( 9.940 0.000 16.934) 19.636 4.294 ( 11.296 0.000 -1.524) 11.398 4.456 ( -9.731 0.000 27.008) 28.708 4.519 ( -1.835 0.000 19.862) 19.947 4.561 ( -0.888 0.000 27.254) 27.268 4.627 ( -0.051 0.000 -0.819) 0.820 4.711 ( -2.464 0.000 4.799) 5.395 4.952 ( -10.601 0.000 -15.365) 18.667 5.057 ( -2.661 0.000 -2.696) 3.788 5.169 ( -6.792 0.000 -10.528) 12.529 5.246 ( 1.076 0.000 -8.258) 8.327 5.311 ( 0.510 0.000 3.887) 3.920 5.426 ( 1.247 0.000 4.298) 4.475 5.494 ( 2.554 0.000 -3.925) 4.683 5.636 ( 4.041 0.000 -2.352) 4.676 5.837 ( 2.261 0.000 -9.789) 10.047 5.960 ( -3.480 0.000 2.293) 4.168 6.034 ( -3.044 0.000 -3.807) 4.874 6.113 ( -4.070 0.000 -0.423) 4.092 6.151 ( -4.074 0.000 -1.864) 4.480 6.597 ( -5.713 0.000 2.209) 6.125 6.804 ( -4.231 0.000 0.767) 4.300 6.841 ( 1.567 0.000 -4.000) 4.296 7.065 ( 2.949 0.000 -2.091) 3.615 7.485 ( 0.782 0.000 1.534) 1.722 7.615 ( -7.451 0.000 2.014) 7.719 7.732 ( 2.632 0.000 -3.803) 4.625 7.856 ( 4.047 0.000 0.459) 4.073 8.052 ( 3.252 0.000 -3.740) 4.956 8.162 ( 2.211 0.000 2.614) 3.424 8.335 ( -3.523 0.000 0.102) 3.524 8.437 ( -0.359 0.000 1.437) 1.481 8.770 ( 6.691 0.000 1.524) 6.862 8.896 ( 4.936 0.000 -6.340) 8.035 9.000 ( 2.290 0.000 -13.260) 13.456 9.267 ( 3.697 0.000 -5.305) 6.466 9.417 ( -1.275 0.000 -1.522) 1.986 9.445 ( -4.816 0.000 2.957) 5.651 9.645 ( -1.930 0.000 -8.112) 8.338 9.839 ( -1.373 0.000 1.084) 1.749 9.884 ( 4.911 0.000 6.246) 7.945 10.032 ( 1.698 0.000 6.165) 6.394 10.080 ( -1.159 0.000 -1.302) 1.743 10.489 ( -4.876 0.000 -1.291) 5.044 10.596 ( 1.704 0.000 7.186) 7.385 10.870 ( 0.755 0.000 1.184) 1.404 11.016 ( -2.322 0.000 -3.402) 4.119 11.282 ( -6.927 0.000 6.601) 9.568 11.490 ( 0.351 0.000 16.233) 16.237 11.649 ( -3.044 0.000 1.734) 3.504 11.738 ( -1.966 0.000 13.160) 13.306 11.851 ( -0.697 0.000 0.599) 0.920 12.017 ( 1.694 0.000 -2.621) 3.121 12.179 ( -1.418 0.000 -7.741) 7.870 12.260 ( 5.055 0.000 -3.118) 5.940 12.318 ( 5.958 0.000 -2.047) 6.300 12.519 ( 1.421 0.000 0.685) 1.578 12.572 ( 1.196 0.000 -5.562) 5.689 13.011 ( -2.133 0.000 -1.322) 2.509 13.250 ( -3.059 0.000 -0.754) 3.150 13.337 ( 5.254 0.000 -2.956) 6.029 13.486 ( 1.177 0.000 0.140) 1.185 13.825 ( -1.705 0.000 -3.079) 3.519 13.910 ( -1.206 0.000 -0.578) 1.337 14.042 ( 1.512 0.000 0.569) 1.616 14.200 ( -8.657 0.000 -5.815) 10.429 14.960 ( -4.072 0.000 3.855) 5.607 15.264 ( -5.009 0.000 -0.485) 5.033 15.277 ( 0.671 0.000 5.630) 5.670 15.776 ( -8.107 0.000 -0.389) 8.116 15.985 ( -8.082 0.000 -7.502) 11.028 16.360 ( 3.306 0.000 -1.215) 3.522 16.935 ( -5.492 0.000 11.538) 12.778 17.264 ( 2.083 0.000 13.763) 13.920 17.478 ( 7.654 0.000 6.216) 9.860 17.518 ( 7.964 0.000 11.631) 14.096 17.837 ( 5.714 0.000 8.625) 10.347 17.970 ( 6.799 0.000 7.462) 10.095 18.180 ( 3.775 0.000 -11.240) 11.857 18.444 ( 3.014 0.000 1.127) 3.217 18.575 ( 4.720 0.000 2.644) 5.410 18.807 ( 8.621 0.000 -4.689) 9.814 19.461 ( 5.420 0.000 -8.633) 10.193 20.037 ( 2.593 0.000 -0.877) 2.737 23.044 ( -15.265 0.000 16.020) 22.128 23.197 ( -4.233 0.000 10.361) 11.192 24.282 ( 1.784 0.000 -8.098) 8.292 24.400 ( 5.667 0.000 -5.994) 8.249 26.461 ( 1.791 0.000 -2.071) 2.738 27.169 ( 9.323 0.000 0.445) 9.334 28.850 ( 0.849 0.000 -2.672) 2.804 29.090 ( 1.125 0.000 1.701) 2.039 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -14.124 0.000 9.494) 17.018 1.966 ( -12.839 0.000 -8.575) 15.439 2.071 ( -11.864 0.000 14.141) 18.459 2.173 ( -0.480 0.000 7.543) 7.559 2.264 ( -1.634 0.000 -7.177) 7.361 2.448 ( -2.308 0.000 -12.457) 12.669 2.667 ( 9.574 0.000 1.968) 9.774 2.751 ( 5.410 0.000 2.423) 5.928 2.857 ( 1.988 0.000 0.539) 2.060 3.021 ( -4.195 0.000 -2.736) 5.009 3.151 ( 8.075 0.000 3.149) 8.667 3.348 ( 5.296 0.000 -2.709) 5.949 3.589 ( -2.141 0.000 9.296) 9.539 3.690 ( -0.002 0.000 -1.489) 1.489 3.771 ( 12.205 0.000 0.156) 12.206 3.802 ( 19.330 0.000 1.474) 19.386 4.051 ( -21.322 0.000 32.389) 38.777 4.404 ( 10.722 0.000 17.921) 20.884 4.535 ( -3.669 0.000 -8.001) 8.802 4.567 ( 7.099 0.000 17.620) 18.997 4.611 ( 6.040 0.000 22.857) 23.641 4.670 ( 0.735 0.000 2.692) 2.790 4.738 ( 1.936 0.000 -10.003) 10.188 4.757 ( 6.816 0.000 -1.559) 6.992 5.057 ( 0.769 0.000 2.028) 2.169 5.104 ( -0.230 0.000 -8.228) 8.231 5.238 ( -1.850 0.000 -6.784) 7.032 5.316 ( -1.268 0.000 5.741) 5.879 5.425 ( -1.537 0.000 1.939) 2.475 5.480 ( -3.805 0.000 -5.500) 6.688 5.639 ( -3.230 0.000 -2.076) 3.839 5.800 ( -6.034 0.000 -8.926) 10.774 5.876 ( -7.155 0.000 -3.075) 7.788 5.930 ( -4.299 0.000 -2.170) 4.815 5.986 ( -9.341 0.000 -4.592) 10.408 6.109 ( 1.926 0.000 -1.601) 2.505 6.498 ( -4.290 0.000 3.128) 5.309 6.732 ( -2.466 0.000 -0.483) 2.513 6.872 ( 1.150 0.000 -1.082) 1.579 7.109 ( 1.704 0.000 -5.547) 5.802 7.506 ( -2.318 0.000 2.201) 3.196 7.524 ( 2.576 0.000 1.254) 2.866 7.800 ( 3.839 0.000 -3.730) 5.353 7.921 ( 1.943 0.000 -0.718) 2.072 8.114 ( 2.419 0.000 -6.746) 7.167 8.177 ( -1.300 0.000 3.439) 3.677 8.258 ( -3.354 0.000 3.045) 4.530 8.478 ( 3.950 0.000 1.816) 4.347 8.930 ( 8.870 0.000 1.838) 9.058 8.985 ( 2.996 0.000 -5.348) 6.130 9.012 ( -1.013 0.000 -12.158) 12.200 9.266 ( -6.401 0.000 -0.184) 6.404 9.367 ( -1.322 0.000 -6.748) 6.877 9.384 ( 0.823 0.000 -2.196) 2.345 9.626 ( -1.073 0.000 -0.990) 1.460 9.771 ( -5.024 0.000 -2.980) 5.841 9.963 ( 2.217 0.000 13.792) 13.969 10.048 ( 0.711 0.000 -6.233) 6.273 10.134 ( 4.956 0.000 2.146) 5.401 10.385 ( -3.002 0.000 -2.053) 3.637 10.640 ( 1.652 0.000 8.117) 8.283 10.856 ( -2.150 0.000 2.876) 3.591 10.994 ( -0.121 0.000 -3.932) 3.934 11.199 ( -0.821 0.000 1.933) 2.100 11.481 ( -1.589 0.000 8.365) 8.515 11.562 ( -4.819 0.000 6.230) 7.877 11.695 ( -2.810 0.000 8.701) 9.144 11.859 ( 1.708 0.000 2.767) 3.252 12.027 ( -2.391 0.000 -2.122) 3.197 12.158 ( 1.332 0.000 -0.893) 1.603 12.323 ( 2.474 0.000 3.721) 4.468 12.481 ( 8.946 0.000 -2.494) 9.287 12.530 ( -0.680 0.000 2.383) 2.478 12.612 ( 3.065 0.000 -10.103) 10.557 13.031 ( 0.861 0.000 -5.648) 5.714 13.145 ( -3.591 0.000 -3.570) 5.064 13.358 ( -4.203 0.000 -1.818) 4.579 13.505 ( 0.687 0.000 5.230) 5.275 13.764 ( -3.599 0.000 -4.242) 5.563 13.946 ( 1.609 0.000 4.098) 4.402 13.970 ( -6.440 0.000 -8.118) 10.362 14.118 ( 1.464 0.000 -3.978) 4.238 14.900 ( -2.591 0.000 7.214) 7.665 15.135 ( -7.161 0.000 1.393) 7.296 15.301 ( 3.032 0.000 0.888) 3.159 15.626 ( -6.614 0.000 -2.407) 7.038 15.870 ( -2.152 0.000 -3.862) 4.422 16.397 ( 0.044 0.000 -2.468) 2.469 16.829 ( -4.712 0.000 13.703) 14.490 17.246 ( -3.407 0.000 14.764) 15.152 17.623 ( 6.404 0.000 2.944) 7.049 17.695 ( 7.880 0.000 7.659) 10.989 17.945 ( 4.810 0.000 3.998) 6.255 18.197 ( 11.660 0.000 10.810) 15.899 18.289 ( 8.784 0.000 -10.026) 13.330 18.501 ( 3.451 0.000 -0.658) 3.513 18.683 ( 5.090 0.000 4.855) 7.034 18.969 ( 6.190 0.000 -7.242) 9.527 19.601 ( 8.409 0.000 -10.535) 13.480 20.116 ( 5.113 0.000 -4.219) 6.628 22.687 ( -18.869 0.000 23.241) 29.936 23.126 ( -2.359 0.000 8.033) 8.373 24.308 ( 0.712 0.000 -8.756) 8.785 24.529 ( 6.770 0.000 -4.166) 7.949 26.491 ( 0.984 0.000 -1.494) 1.788 27.404 ( 13.277 0.000 2.498) 13.510 28.860 ( 0.301 0.000 -2.631) 2.648 29.111 ( 0.493 0.000 -0.153) 0.516 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( -10.357 0.000 15.214) 18.405 1.762 ( -6.703 0.000 -11.511) 13.320 1.885 ( -6.108 0.000 24.502) 25.252 2.186 ( 0.403 0.000 0.557) 0.687 2.287 ( 3.166 0.000 -14.241) 14.589 2.438 ( 1.715 0.000 -8.489) 8.660 2.757 ( -5.256 0.000 1.825) 5.563 2.813 ( 1.568 0.000 6.198) 6.393 2.873 ( 2.272 0.000 -0.304) 2.292 3.033 ( 6.183 0.000 0.498) 6.203 3.327 ( 5.734 0.000 2.673) 6.327 3.424 ( 1.298 0.000 1.304) 1.839 3.536 ( 1.576 0.000 5.548) 5.767 3.573 ( -5.341 0.000 -0.045) 5.341 3.669 ( -14.681 0.000 32.787) 35.923 4.148 ( 18.259 0.000 9.922) 20.780 4.207 ( 16.098 0.000 1.158) 16.139 4.324 ( -7.077 0.000 -28.632) 29.494 4.562 ( 5.204 0.000 19.808) 20.480 4.661 ( 4.087 0.000 19.509) 19.932 4.740 ( 6.833 0.000 24.314) 25.256 4.772 ( 3.726 0.000 6.414) 7.418 4.892 ( 7.598 0.000 2.740) 8.077 4.911 ( 3.042 0.000 -1.659) 3.465 5.059 ( -0.562 0.000 6.453) 6.477 5.124 ( 0.480 0.000 -6.568) 6.586 5.185 ( -2.056 0.000 -15.312) 15.450 5.269 ( -0.992 0.000 6.738) 6.811 5.329 ( -8.093 0.000 -8.625) 11.827 5.412 ( -1.274 0.000 2.111) 2.465 5.525 ( -7.000 0.000 -0.562) 7.022 5.625 ( -9.475 0.000 -4.704) 10.578 5.698 ( -8.250 0.000 -9.222) 12.373 5.782 ( -7.120 0.000 -7.387) 10.260 5.920 ( -0.066 0.000 -5.785) 5.785 6.149 ( 1.316 0.000 -2.787) 3.082 6.424 ( -2.683 0.000 3.229) 4.198 6.696 ( -1.188 0.000 -1.892) 2.234 6.897 ( 1.408 0.000 2.111) 2.538 7.137 ( 0.838 0.000 -7.094) 7.143 7.505 ( 2.073 0.000 1.104) 2.348 7.591 ( 3.091 0.000 1.567) 3.466 7.855 ( 0.282 0.000 1.372) 1.401 7.950 ( 1.973 0.000 -6.360) 6.659 8.091 ( -4.973 0.000 1.283) 5.136 8.163 ( 1.230 0.000 -3.114) 3.348 8.215 ( -0.777 0.000 4.918) 4.979 8.548 ( 1.547 0.000 -3.192) 3.547 8.959 ( -0.893 0.000 -5.875) 5.943 9.040 ( 1.653 0.000 -1.592) 2.295 9.117 ( 7.383 0.000 -0.664) 7.413 9.139 ( -4.658 0.000 -1.580) 4.919 9.307 ( -2.930 0.000 -3.292) 4.406 9.441 ( 2.138 0.000 -6.342) 6.692 9.564 ( -5.042 0.000 5.680) 7.595 9.669 ( -3.397 0.000 -10.342) 10.886 10.002 ( 0.875 0.000 -1.524) 1.758 10.065 ( 0.830 0.000 1.998) 2.163 10.188 ( 1.825 0.000 0.206) 1.836 10.448 ( 7.299 0.000 0.111) 7.299 10.646 ( -0.648 0.000 4.165) 4.215 10.808 ( -2.044 0.000 1.472) 2.519 10.975 ( -2.077 0.000 2.897) 3.565 11.241 ( 4.014 0.000 1.499) 4.285 11.439 ( -3.445 0.000 6.254) 7.140 11.474 ( -1.231 0.000 2.391) 2.689 11.597 ( -7.338 0.000 4.509) 8.612 11.878 ( -2.097 0.000 -1.827) 2.781 11.975 ( 0.756 0.000 6.000) 6.048 12.259 ( 7.757 0.000 11.303) 13.709 12.389 ( 3.825 0.000 1.670) 4.174 12.528 ( 1.048 0.000 -0.295) 1.089 12.629 ( 2.984 0.000 -6.064) 6.759 12.685 ( 5.216 0.000 -4.172) 6.680 12.908 ( -7.996 0.000 -6.739) 10.457 13.172 ( -6.008 0.000 -0.536) 6.032 13.234 ( -0.687 0.000 -6.753) 6.788 13.494 ( -2.226 0.000 0.683) 2.328 13.691 ( -1.040 0.000 -0.111) 1.046 13.871 ( -1.227 0.000 -3.991) 4.175 13.986 ( -0.551 0.000 -0.169) 0.576 14.157 ( 1.834 0.000 -4.076) 4.470 14.856 ( -1.160 0.000 5.738) 5.854 15.002 ( -5.132 0.000 1.900) 5.472 15.405 ( 5.559 0.000 2.103) 5.944 15.517 ( -3.644 0.000 -2.862) 4.633 15.880 ( 1.995 0.000 -0.315) 2.020 16.361 ( -3.275 0.000 -3.410) 4.728 16.754 ( -2.594 0.000 17.265) 17.459 17.154 ( -4.909 0.000 15.536) 16.293 17.735 ( 4.237 0.000 -4.257) 6.006 17.805 ( 3.171 0.000 2.657) 4.137 18.019 ( 2.039 0.000 7.830) 8.091 18.337 ( 4.492 0.000 2.606) 5.193 18.562 ( 13.937 0.000 -0.021) 13.937 18.593 ( 4.853 0.000 -0.616) 4.892 18.767 ( 3.181 0.000 2.308) 3.930 19.025 ( -0.793 0.000 -9.952) 9.983 19.784 ( 8.099 0.000 -8.762) 11.932 20.209 ( 2.444 0.000 -7.457) 7.848 22.343 ( -12.806 0.000 29.969) 32.590 23.113 ( 0.993 0.000 4.494) 4.602 24.309 ( -0.529 0.000 -8.390) 8.407 24.658 ( 5.401 0.000 -3.287) 6.322 26.499 ( -0.128 0.000 -0.690) 0.702 27.675 ( 12.069 0.000 2.430) 12.311 28.875 ( 1.557 0.000 -1.237) 1.989 29.090 ( -2.992 0.000 -2.197) 3.712 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -1.558 20.131 15.807) 25.643 1.879 ( -0.452 7.351 19.255) 20.615 1.957 ( -0.194 16.298 -5.646) 17.249 2.184 ( 0.280 0.551 0.373) 0.722 2.373 ( 1.356 2.087 -13.286) 13.518 2.507 ( 2.433 -5.981 2.525) 6.933 2.541 ( -4.464 -1.081 0.199) 4.597 2.748 ( 0.930 -5.922 -6.902) 9.142 2.941 ( 0.755 4.049 3.890) 5.665 3.131 ( -1.508 1.314 -0.875) 2.183 3.297 ( -0.592 -3.083 10.534) 10.992 3.446 ( 0.678 -7.182 -3.815) 8.161 3.503 ( 0.116 5.868 33.481) 33.991 3.625 ( -2.009 11.891 7.307) 14.100 3.697 ( 1.031 7.396 1.219) 7.567 4.147 ( -1.498 -5.415 -15.807) 16.776 4.279 ( 0.924 -8.988 11.290) 14.460 4.365 ( -0.219 -12.344 3.651) 12.875 4.469 ( -1.082 -16.239 7.931) 18.104 4.548 ( 0.893 -14.684 0.769) 14.731 4.647 ( 0.565 -2.780 9.969) 10.364 4.702 ( 0.366 -2.744 14.789) 15.046 4.791 ( 1.155 -2.788 14.689) 14.996 4.851 ( 0.818 -5.038 7.595) 9.150 5.074 ( -1.653 -0.355 -2.941) 3.392 5.094 ( 0.208 0.203 -0.215) 0.361 5.220 ( -0.199 4.245 -6.483) 7.751 5.280 ( 0.308 3.112 -8.258) 8.830 5.368 ( 1.114 2.173 -2.042) 3.183 5.424 ( -3.021 0.169 -0.137) 3.028 5.531 ( -0.051 0.946 -5.236) 5.321 5.543 ( 2.156 2.726 -4.886) 5.996 5.712 ( -0.660 10.842 1.176) 10.926 5.839 ( -1.266 7.613 -8.440) 11.437 5.940 ( 0.630 2.622 -5.832) 6.425 6.147 ( 0.130 -1.622 -3.373) 3.745 6.536 ( 0.150 10.063 1.611) 10.192 6.749 ( -0.125 3.769 -1.896) 4.221 6.926 ( 0.957 1.491 2.211) 2.833 7.115 ( -1.284 -1.729 -4.033) 4.573 7.532 ( -0.638 -0.483 2.633) 2.752 7.617 ( 0.201 -1.182 1.556) 1.964 7.848 ( -0.465 1.614 3.175) 3.592 7.938 ( -2.300 -0.485 6.807) 7.201 8.096 ( 2.716 2.194 -7.844) 8.586 8.161 ( 0.729 -1.842 -5.848) 6.174 8.210 ( 1.109 0.284 -1.174) 1.640 8.481 ( -0.703 -6.066 -9.036) 10.905 8.935 ( -0.985 0.582 4.296) 4.446 9.056 ( -0.801 -1.897 -0.456) 2.109 9.112 ( -0.366 3.290 -0.893) 3.429 9.209 ( -1.049 1.897 -2.586) 3.375 9.288 ( -0.006 -1.012 -1.437) 1.758 9.414 ( -0.334 -3.301 -3.252) 4.646 9.523 ( 1.643 2.385 -2.519) 3.838 9.620 ( 1.377 -1.977 -9.619) 9.916 9.958 ( -1.983 -1.713 -0.278) 2.635 10.032 ( -0.664 -3.601 -0.947) 3.782 10.203 ( 0.887 -0.048 -1.399) 1.657 10.440 ( 1.804 -8.284 -1.501) 8.610 10.733 ( 0.023 8.225 2.663) 8.646 10.908 ( 0.670 4.979 -0.023) 5.024 11.010 ( 1.657 3.983 3.074) 5.297 11.291 ( -0.757 -4.284 2.027) 4.799 11.357 ( -2.174 1.561 8.433) 8.848 11.446 ( 1.755 -0.864 1.007) 2.200 11.566 ( 1.632 4.040 1.792) 4.711 11.754 ( -1.139 -4.380 2.860) 5.354 12.041 ( -0.189 1.250 5.035) 5.191 12.258 ( -1.714 -9.317 4.275) 10.393 12.410 ( 0.140 0.455 3.796) 3.826 12.506 ( 2.969 -2.755 -1.789) 4.427 12.704 ( -0.681 3.673 0.835) 3.828 12.783 ( -2.497 0.536 -3.315) 4.185 12.901 ( 1.057 5.911 -0.697) 6.045 13.081 ( -0.337 4.427 -5.050) 6.725 13.294 ( 0.146 3.794 -2.644) 4.627 13.403 ( -1.259 -2.887 -4.155) 5.214 13.750 ( -0.012 2.688 -0.782) 2.799 13.856 ( -0.139 -1.509 -1.407) 2.068 13.977 ( -0.278 1.582 -0.838) 1.811 14.131 ( 0.684 -4.322 -3.923) 5.877 14.825 ( -0.287 -1.243 6.728) 6.848 14.950 ( 1.220 -2.122 -4.254) 4.908 15.387 ( 0.222 -0.326 7.542) 7.553 15.511 ( 0.436 -2.001 -4.468) 4.915 15.938 ( 0.015 2.480 -0.079) 2.481 16.201 ( -2.669 -7.000 -1.138) 7.578 16.790 ( -0.360 5.081 19.058) 19.727 17.038 ( -1.193 -3.908 16.760) 17.251 17.772 ( -0.917 0.957 -4.792) 4.972 17.843 ( 2.127 -1.856 -3.851) 4.775 18.091 ( -0.267 5.072 11.752) 12.802 18.357 ( 0.541 -4.031 6.332) 7.526 18.657 ( -0.111 2.548 -4.725) 5.369 18.768 ( -1.010 1.383 2.221) 2.805 18.855 ( 5.652 0.677 -3.302) 6.581 18.935 ( -3.113 -2.505 -12.150) 12.791 19.904 ( -5.478 5.860 -0.411) 8.032 20.144 ( -4.640 -2.905 -1.307) 5.628 22.312 ( 4.773 5.330 24.670) 25.687 22.905 ( 2.069 -17.679 7.561) 19.339 24.366 ( -0.857 5.865 -7.377) 9.463 24.666 ( 0.259 -4.945 -4.526) 6.709 26.674 ( -0.356 14.736 -0.686) 14.757 27.570 ( 0.794 -19.796 -0.648) 19.823 28.975 ( -0.257 3.948 -0.811) 4.038 29.032 ( -1.060 1.066 -0.328) 1.539 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 3.705 16.384 16.321) 23.421 1.932 ( 6.022 7.184 21.899) 23.822 1.992 ( 3.003 13.043 -8.231) 15.713 2.210 ( 2.906 4.525 -0.029) 5.378 2.386 ( -1.303 1.735 -5.557) 5.966 2.431 ( -2.474 0.405 -7.413) 7.826 2.581 ( 2.641 -7.796 3.319) 8.875 2.749 ( -0.410 -6.493 -4.760) 8.061 2.924 ( -2.269 4.089 1.660) 4.962 3.037 ( -6.968 3.085 2.515) 8.025 3.324 ( 1.527 -4.465 8.350) 9.591 3.445 ( -4.589 0.763 -2.269) 5.176 3.551 ( -0.568 5.547 3.380) 6.521 3.625 ( 4.509 4.957 16.377) 17.695 3.690 ( 7.146 5.299 19.008) 20.987 4.083 ( -12.763 -5.136 8.303) 16.069 4.172 ( -8.957 -5.169 0.109) 10.342 4.289 ( -1.289 -4.854 -11.959) 12.970 4.421 ( -0.879 -16.953 3.917) 17.421 4.502 ( -2.603 -12.904 9.599) 16.293 4.648 ( -1.607 -2.281 11.425) 11.761 4.701 ( -1.123 -4.192 17.302) 17.838 4.791 ( -1.630 -1.117 12.225) 12.383 4.846 ( -3.730 -2.816 8.540) 9.735 5.011 ( -4.883 -2.309 -2.249) 5.851 5.087 ( -3.379 -2.700 -4.226) 6.047 5.169 ( -0.262 2.633 -10.863) 11.181 5.296 ( 2.068 -1.088 -8.883) 9.185 5.424 ( 6.830 4.348 5.887) 10.011 5.506 ( 6.310 -0.824 2.469) 6.826 5.590 ( 2.293 5.583 -7.916) 9.954 5.668 ( 8.199 3.209 -7.857) 11.801 5.732 ( 4.223 5.137 -0.832) 6.702 5.839 ( 1.468 5.618 -4.187) 7.159 5.962 ( 1.807 2.358 -6.435) 7.088 6.133 ( -1.472 -1.958 -2.599) 3.572 6.556 ( 1.696 9.261 1.026) 9.470 6.749 ( 0.208 3.225 -1.083) 3.408 6.929 ( -0.759 1.408 0.196) 1.611 7.069 ( -2.676 -1.212 -1.674) 3.381 7.500 ( -1.471 -0.420 3.584) 3.897 7.602 ( -1.387 -2.194 2.757) 3.787 7.819 ( -2.650 3.691 -0.020) 4.544 7.910 ( -0.425 1.813 6.444) 6.708 8.140 ( 1.101 -2.615 -5.365) 6.069 8.174 ( 0.251 -0.661 -8.122) 8.152 8.257 ( 3.203 1.065 -1.282) 3.611 8.502 ( 1.830 -6.680 -9.222) 11.533 8.867 ( -4.266 3.801 5.713) 8.080 9.029 ( -1.589 -0.962 -1.083) 2.151 9.110 ( -0.755 1.061 1.635) 2.090 9.231 ( 1.475 1.253 -2.837) 3.434 9.295 ( 2.343 -0.614 1.270) 2.735 9.408 ( -0.918 -1.873 -6.686) 7.004 9.537 ( 0.135 2.682 -3.281) 4.240 9.716 ( 6.959 -3.669 -9.244) 12.138 9.910 ( -2.431 -0.047 4.563) 5.170 10.033 ( 0.352 -4.632 1.474) 4.873 10.226 ( 1.722 1.564 -2.176) 3.185 10.421 ( -2.600 -4.092 -3.688) 6.092 10.729 ( -1.269 7.218 3.938) 8.320 10.884 ( 1.009 2.652 -2.128) 3.547 11.095 ( -2.444 -0.767 0.169) 2.567 11.170 ( 0.355 -0.181 0.667) 0.777 11.413 ( 1.897 2.192 4.871) 5.669 11.529 ( 6.064 -0.374 3.651) 7.088 11.641 ( 4.593 1.160 2.130) 5.194 11.725 ( -0.867 -3.669 5.362) 6.555 12.015 ( -2.672 -1.166 5.190) 5.953 12.197 ( -4.001 -7.289 5.810) 10.144 12.401 ( -2.369 2.454 3.315) 4.756 12.531 ( -0.971 0.918 -1.947) 2.361 12.610 ( -5.038 -0.988 2.197) 5.585 12.656 ( -6.122 -1.041 -4.765) 7.827 12.971 ( 3.237 7.182 -3.637) 8.677 13.195 ( 9.034 1.183 -4.318) 10.083 13.297 ( -3.599 6.091 -4.222) 8.239 13.408 ( 4.678 -4.499 -0.122) 6.491 13.756 ( 0.726 2.651 0.134) 2.752 13.809 ( -1.133 -1.736 -1.475) 2.545 14.009 ( 1.284 0.891 -0.264) 1.585 14.135 ( -0.526 -4.169 -4.998) 6.530 14.864 ( 3.928 -2.107 4.818) 6.563 15.008 ( 3.823 -4.123 -2.777) 6.271 15.369 ( -1.676 4.516 3.401) 5.897 15.513 ( 0.906 -1.348 -3.101) 3.501 15.920 ( -1.909 2.491 -0.298) 3.153 16.191 ( 1.602 -7.025 3.983) 8.233 16.802 ( 1.431 4.907 19.079) 19.752 17.060 ( 2.825 -4.324 18.608) 19.312 17.704 ( -5.721 2.360 0.200) 6.192 17.844 ( -2.421 -3.765 -2.403) 5.081 18.072 ( -1.293 5.005 6.332) 8.174 18.310 ( -5.299 -4.083 4.383) 7.998 18.575 ( -7.749 3.497 -2.823) 8.958 18.687 ( -5.201 2.275 -1.124) 5.787 18.849 ( -4.522 -1.657 -7.777) 9.147 18.928 ( -0.231 -1.906 -5.901) 6.206 19.679 ( -13.264 7.542 11.438) 19.069 20.021 ( -6.504 -4.792 6.892) 10.619 22.545 ( 15.981 3.869 14.047) 21.626 22.980 ( 4.808 -12.862 2.944) 14.043 24.338 ( -1.750 5.319 -5.830) 8.083 24.620 ( -4.602 -4.731 -4.816) 8.170 26.651 ( -1.783 13.532 -0.017) 13.649 27.483 ( -8.790 -18.088 -1.105) 20.141 28.911 ( -3.252 5.437 1.364) 6.480 29.070 ( 2.177 -0.953 0.101) 2.379 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 6.967 7.040 14.376) 17.458 2.056 ( 3.649 5.925 -2.785) 7.495 2.129 ( 11.637 5.769 14.628) 19.562 2.303 ( 5.317 6.947 -1.441) 8.867 2.366 ( 2.199 5.145 2.548) 6.148 2.458 ( 4.852 2.976 -10.859) 12.260 2.578 ( -4.091 -3.153 2.922) 5.934 2.703 ( -4.342 -4.945 -3.594) 7.498 2.849 ( -4.392 1.965 -3.017) 5.679 2.953 ( 0.049 2.925 6.304) 6.949 3.307 ( -2.565 -3.301 1.117) 4.327 3.322 ( -4.941 6.788 2.870) 8.873 3.546 ( -1.961 -1.309 3.657) 4.351 3.625 ( -7.302 -0.846 2.247) 7.687 3.804 ( -8.108 -0.488 3.442) 8.822 3.888 ( -8.975 3.838 -1.113) 9.825 4.036 ( 14.717 0.469 24.807) 28.848 4.274 ( -3.205 -8.402 8.322) 12.252 4.404 ( -6.583 -11.874 5.585) 14.680 4.465 ( 0.296 -6.565 2.068) 6.889 4.569 ( -3.844 -5.478 10.424) 12.387 4.654 ( -3.521 -1.921 22.901) 23.250 4.724 ( -3.763 1.612 14.202) 14.780 4.813 ( 3.512 1.066 -2.728) 4.573 4.915 ( -1.846 -2.374 4.192) 5.159 5.050 ( 0.213 -0.268 -11.887) 11.892 5.189 ( 1.576 -1.622 -10.482) 10.723 5.337 ( 0.590 -3.722 -8.857) 9.626 5.501 ( -0.186 3.026 4.600) 5.509 5.578 ( 0.668 2.272 3.291) 4.055 5.672 ( 5.748 4.704 -2.602) 7.870 5.803 ( 3.331 1.176 -10.618) 11.190 5.844 ( 4.955 -0.290 -2.426) 5.525 5.911 ( 5.743 2.238 -2.324) 6.587 6.025 ( 3.895 -0.721 -4.696) 6.143 6.101 ( -0.459 -1.182 -1.555) 2.006 6.600 ( 2.518 6.956 0.379) 7.408 6.759 ( 0.713 1.823 0.084) 1.960 6.901 ( -1.616 1.322 -1.786) 2.747 7.024 ( -1.515 -2.209 -0.050) 2.679 7.504 ( 1.983 -0.263 4.663) 5.074 7.573 ( -1.168 -0.800 3.633) 3.899 7.766 ( -1.956 6.329 -2.204) 6.982 7.897 ( -1.120 2.109 4.239) 4.865 8.123 ( -2.124 -1.933 -8.914) 9.365 8.176 ( -0.828 -4.336 -1.216) 4.579 8.316 ( 2.344 2.741 -2.504) 4.391 8.505 ( -1.882 -5.623 -7.882) 9.863 8.797 ( -2.556 5.317 8.072) 9.998 8.982 ( -2.937 -1.425 -2.275) 3.979 9.070 ( -3.901 0.796 -3.530) 5.321 9.251 ( 0.265 -2.191 -2.577) 3.393 9.356 ( 3.126 2.695 0.850) 4.214 9.393 ( -0.044 -0.947 -3.997) 4.108 9.556 ( 2.094 1.725 0.337) 2.734 9.787 ( -1.853 -0.923 -5.670) 6.036 9.892 ( 1.581 -0.898 5.146) 5.457 10.054 ( 1.760 -3.159 2.558) 4.430 10.303 ( 6.383 3.178 -1.426) 7.272 10.390 ( 0.027 1.759 -2.249) 2.855 10.703 ( -1.065 2.382 2.883) 3.888 10.883 ( -5.703 -2.993 -0.893) 6.502 11.009 ( 2.401 4.498 -3.839) 6.383 11.259 ( 3.436 1.591 -1.856) 4.217 11.441 ( 2.282 -0.561 4.993) 5.518 11.630 ( 2.052 -2.417 3.192) 4.499 11.698 ( 1.256 -2.803 7.793) 8.377 11.756 ( 3.365 -1.692 5.881) 6.984 11.966 ( -1.362 -1.128 6.848) 7.073 12.076 ( -7.272 -2.045 3.776) 8.445 12.300 ( -5.281 -0.029 4.213) 6.756 12.467 ( -5.181 -1.760 -3.051) 6.265 12.530 ( -1.785 0.875 -2.935) 3.545 12.633 ( 0.110 -0.920 -4.846) 4.934 13.034 ( 2.986 5.067 -0.350) 5.892 13.208 ( -1.152 3.869 -3.742) 5.504 13.338 ( 2.967 -2.717 -4.279) 5.874 13.482 ( -0.449 -3.974 -3.170) 5.103 13.794 ( 3.117 4.778 3.039) 6.463 13.889 ( 8.884 -1.294 -0.617) 8.999 14.004 ( -1.356 0.655 -1.096) 1.862 14.125 ( 0.383 -2.783 -6.887) 7.438 14.956 ( 3.853 -1.157 3.338) 5.228 15.086 ( 4.230 -4.480 1.723) 6.397 15.360 ( 1.710 6.266 -3.218) 7.249 15.579 ( 5.359 -2.650 -2.185) 6.365 15.888 ( -0.282 5.427 2.376) 5.931 16.235 ( 1.914 -6.573 5.271) 8.640 16.848 ( 3.019 4.537 17.962) 18.770 17.125 ( 2.770 -5.142 19.146) 20.017 17.552 ( -8.292 3.437 10.282) 13.649 17.750 ( -6.633 -5.194 0.621) 8.448 18.027 ( -3.855 3.942 1.607) 5.743 18.157 ( -8.437 -2.622 0.717) 8.864 18.395 ( -8.591 5.608 -2.616) 10.588 18.580 ( -5.579 0.472 -2.747) 6.237 18.725 ( -7.308 -1.872 -4.937) 9.016 18.859 ( -6.095 -2.150 -1.514) 6.638 19.469 ( -6.593 8.422 12.178) 16.208 19.913 ( -3.598 -7.393 7.805) 11.337 22.891 ( 16.665 1.790 8.039) 18.589 23.093 ( 6.158 -5.495 2.162) 8.532 24.296 ( -2.254 3.525 -4.418) 6.085 24.494 ( -7.223 -3.319 -4.314) 9.044 26.604 ( -2.772 10.822 0.025) 11.172 27.262 ( -11.526 -13.381 -0.031) 17.660 28.868 ( -1.206 5.620 2.751) 6.372 29.093 ( 0.017 -2.789 -0.285) 2.803 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 10.325 -0.623 7.784) 12.946 2.151 ( 5.531 -0.903 3.794) 6.768 2.314 ( 5.978 1.755 3.397) 7.097 2.399 ( 3.785 -1.374 2.379) 4.677 2.432 ( -2.516 1.894 -1.054) 3.321 2.550 ( 10.014 7.710 4.116) 13.292 2.599 ( 3.737 1.302 -3.788) 5.478 2.647 ( 1.619 1.673 -3.026) 3.818 2.812 ( 2.257 4.545 -0.833) 5.142 2.963 ( 1.003 6.611 2.119) 7.014 3.173 ( -10.743 2.499 1.760) 11.169 3.242 ( -7.385 6.456 0.074) 9.809 3.344 ( -11.102 2.065 3.062) 11.700 3.455 ( -8.659 -2.977 -1.347) 9.255 3.699 ( -0.412 0.835 4.914) 5.002 3.820 ( -4.091 4.337 -2.559) 6.488 4.043 ( -7.401 -6.044 8.959) 13.098 4.193 ( -8.741 -10.720 -0.441) 13.839 4.397 ( -3.890 -8.425 12.149) 15.288 4.426 ( -2.203 -5.783 11.690) 13.227 4.577 ( 15.434 3.517 22.751) 27.717 4.643 ( -0.652 0.217 26.299) 26.308 4.692 ( 0.549 -0.499 15.040) 15.058 4.878 ( 4.777 -3.605 4.406) 7.432 5.022 ( 6.869 2.007 -7.346) 10.256 5.099 ( 5.551 0.993 -15.555) 16.545 5.216 ( 1.072 -2.398 -11.153) 11.458 5.323 ( -1.234 -4.890 -8.045) 9.495 5.462 ( -1.992 2.721 6.245) 7.097 5.575 ( -1.139 1.158 2.775) 3.215 5.701 ( -4.181 2.469 -6.216) 7.888 5.795 ( -3.612 -0.345 -11.421) 11.983 5.925 ( 4.319 0.402 3.233) 5.410 6.026 ( 4.606 0.497 -5.102) 6.892 6.091 ( 3.130 -3.758 0.359) 4.903 6.140 ( 2.166 -0.701 -2.408) 3.314 6.657 ( 3.139 4.007 -0.279) 5.098 6.772 ( 0.452 0.104 0.248) 0.526 6.879 ( -0.288 0.897 -1.803) 2.035 7.005 ( -0.650 -3.430 -0.595) 3.541 7.529 ( -0.559 1.259 5.919) 6.077 7.596 ( 3.691 0.558 3.221) 4.930 7.751 ( 0.308 4.166 -3.672) 5.562 7.875 ( -0.349 3.900 1.608) 4.233 8.061 ( -4.120 -1.620 -3.544) 5.671 8.135 ( -2.656 -3.120 -2.874) 5.004 8.351 ( 1.195 1.522 -0.741) 2.072 8.449 ( -2.747 -4.542 -4.776) 7.141 8.753 ( -1.930 4.335 6.510) 8.056 8.918 ( -3.237 -2.277 -2.921) 4.919 8.971 ( -4.612 3.141 -8.458) 10.133 9.230 ( -1.779 -2.783 -4.869) 5.884 9.363 ( -0.970 0.945 4.022) 4.244 9.445 ( 3.150 -1.661 0.684) 3.626 9.618 ( 3.118 2.238 0.177) 3.843 9.737 ( -1.576 -2.466 -1.830) 3.452 9.921 ( 1.418 5.300 4.011) 6.796 10.093 ( 1.433 -0.957 -1.331) 2.177 10.385 ( -0.541 7.499 -2.140) 7.817 10.449 ( 4.842 2.783 1.344) 5.744 10.678 ( -0.924 -1.423 0.070) 1.698 10.772 ( -3.116 -3.820 2.143) 5.375 11.089 ( 3.947 4.498 -6.418) 8.776 11.328 ( 3.961 1.560 4.505) 6.198 11.493 ( 1.979 -2.679 6.775) 7.550 11.619 ( -1.907 -4.460 4.392) 6.544 11.721 ( 0.311 -0.682 13.401) 13.422 11.801 ( 0.925 -4.737 8.461) 9.741 11.945 ( -1.411 -2.552 -1.745) 3.398 11.991 ( 0.611 -1.028 2.268) 2.564 12.223 ( -2.698 0.113 -1.033) 2.892 12.352 ( -5.653 -2.243 -6.476) 8.884 12.516 ( 0.050 1.228 -2.009) 2.355 12.592 ( -3.311 -0.939 -2.538) 4.276 13.090 ( 3.047 4.728 -2.396) 6.114 13.257 ( 2.288 2.033 -1.219) 3.295 13.336 ( -1.460 -2.535 -3.728) 4.739 13.417 ( -3.473 -2.623 -1.399) 4.571 13.857 ( 2.454 4.289 4.992) 7.024 13.963 ( -1.152 2.205 -3.726) 4.480 14.055 ( 3.393 -0.639 -0.265) 3.463 14.202 ( 7.560 -2.429 -9.526) 12.401 15.010 ( 2.711 3.152 3.323) 5.322 15.188 ( 4.787 -3.226 3.888) 6.960 15.416 ( 2.135 3.144 -5.675) 6.830 15.704 ( 6.456 -6.822 -2.189) 9.644 15.940 ( 5.516 7.607 5.610) 10.944 16.259 ( 0.703 -4.665 4.072) 6.232 16.927 ( 4.629 3.262 15.916) 16.894 17.151 ( -0.547 -4.661 17.213) 17.842 17.415 ( -4.448 3.233 14.762) 15.753 17.576 ( -9.931 -3.997 4.645) 11.669 17.916 ( -5.769 4.156 5.852) 9.209 18.030 ( -3.969 -0.470 -3.654) 5.415 18.241 ( -6.585 4.445 -6.432) 10.223 18.456 ( -6.398 -3.279 0.825) 7.237 18.581 ( -6.125 -1.356 -4.656) 7.812 18.713 ( -7.369 -2.150 1.498) 7.821 19.402 ( -0.604 8.619 6.675) 10.918 19.877 ( -0.301 -8.346 5.224) 9.851 23.176 ( 9.639 0.173 8.263) 12.698 23.228 ( 7.619 -0.611 2.295) 7.981 24.255 ( -1.541 1.574 -3.807) 4.398 24.351 ( -6.200 -1.507 -3.484) 7.270 26.546 ( -2.680 8.393 -0.606) 8.831 27.055 ( -8.241 -9.881 -0.247) 12.870 28.854 ( -0.237 4.949 2.453) 5.529 29.078 ( -1.179 -3.198 -0.164) 3.412 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.197 ( 7.227 -4.853 3.646) 9.438 2.246 ( 2.373 -5.406 4.000) 7.132 2.348 ( 1.916 -0.960 1.631) 2.693 2.418 ( -0.647 -2.077 -0.015) 2.175 2.559 ( 9.436 1.185 3.046) 9.986 2.603 ( 0.268 0.628 2.493) 2.585 2.715 ( 3.462 1.444 -1.913) 4.210 2.744 ( 3.699 0.915 -3.070) 4.894 2.835 ( -1.464 4.842 0.273) 5.065 2.927 ( -6.309 5.297 1.439) 8.363 3.000 ( -6.062 6.956 -1.320) 9.321 3.033 ( -7.609 5.939 1.442) 9.760 3.296 ( 6.108 7.399 0.313) 9.600 3.379 ( 6.618 7.477 0.643) 10.006 3.597 ( -13.198 6.303 3.991) 15.161 3.628 ( -11.107 7.252 -0.147) 13.266 3.990 ( 2.272 -7.320 6.846) 10.276 4.132 ( 0.278 -5.646 0.570) 5.681 4.298 ( -2.643 -13.622 8.682) 16.368 4.382 ( -1.759 -6.908 14.949) 16.562 4.607 ( -0.971 -0.192 25.614) 25.633 4.677 ( -0.858 -4.806 16.996) 17.683 4.920 ( 9.925 3.428 8.746) 13.666 5.030 ( 9.319 -1.872 4.168) 10.379 5.099 ( -3.480 -0.470 -9.158) 9.809 5.144 ( 5.123 -0.377 -3.590) 6.267 5.285 ( 2.171 -1.698 -2.017) 3.416 5.310 ( 0.660 -2.643 -3.031) 4.075 5.468 ( 0.687 3.103 -3.080) 4.426 5.518 ( -6.565 0.770 1.312) 6.739 5.587 ( 0.143 2.268 -8.826) 9.113 5.681 ( -6.973 -0.541 -10.925) 12.972 6.008 ( 2.875 0.143 0.347) 2.900 6.088 ( 1.434 0.813 -2.202) 2.750 6.132 ( 0.565 -3.834 -0.962) 3.994 6.156 ( 0.150 -1.395 -0.683) 1.560 6.721 ( 2.849 0.860 -0.877) 3.102 6.771 ( -0.960 -1.280 -1.225) 2.015 6.895 ( 1.912 0.246 0.294) 1.950 6.983 ( -1.763 -2.397 -2.208) 3.705 7.525 ( 0.337 2.852 4.144) 5.042 7.657 ( 1.911 0.509 3.946) 4.414 7.754 ( -0.204 0.808 -2.497) 2.632 7.892 ( 0.223 2.464 2.852) 3.776 7.974 ( -2.835 -0.763 -2.673) 3.970 8.098 ( -0.237 0.044 -4.367) 4.373 8.374 ( 1.138 -1.597 -0.578) 2.045 8.405 ( -1.585 -3.516 -1.379) 4.096 8.719 ( -1.290 3.050 3.040) 4.496 8.867 ( -0.896 -2.517 -4.937) 5.613 8.908 ( -1.793 5.215 -6.727) 8.699 9.190 ( -1.581 -2.570 -7.851) 8.410 9.371 ( 1.668 1.612 3.768) 4.425 9.479 ( 0.617 -1.784 1.880) 2.664 9.656 ( 0.840 -0.578 0.005) 1.020 9.733 ( 0.441 -3.763 1.598) 4.112 9.952 ( 0.991 9.398 0.587) 9.468 10.097 ( -0.472 1.673 -1.887) 2.566 10.336 ( -3.418 10.364 -1.348) 10.996 10.506 ( 1.681 1.826 4.061) 4.759 10.651 ( -1.775 -0.924 -3.537) 4.064 10.784 ( 2.593 -4.052 4.126) 6.337 11.144 ( 0.861 5.065 -2.716) 5.811 11.407 ( 2.715 -3.358 7.968) 9.063 11.515 ( 0.945 -1.724 10.577) 10.758 11.567 ( -3.525 -2.933 9.800) 10.820 11.707 ( -1.151 -3.723 13.788) 14.328 11.820 ( 1.296 -6.544 5.269) 8.501 11.958 ( 2.137 -0.946 -7.411) 7.771 12.036 ( 3.187 -1.778 -1.037) 3.794 12.169 ( -2.703 -0.526 -5.017) 5.723 12.258 ( -3.093 -1.990 -7.110) 8.005 12.520 ( -0.245 0.615 -0.795) 1.035 12.543 ( -0.552 0.223 -2.438) 2.509 13.152 ( 2.220 3.051 -2.392) 4.467 13.220 ( -2.980 2.552 -3.130) 5.019 13.293 ( -2.328 0.615 -1.677) 2.934 13.430 ( 2.649 -1.790 0.148) 3.201 13.888 ( 0.719 1.497 3.247) 3.647 13.944 ( -0.502 2.897 -2.641) 3.952 14.090 ( 0.649 3.241 -3.275) 4.653 14.321 ( 2.813 -2.838 -6.834) 7.916 15.091 ( 4.547 3.994 4.036) 7.275 15.243 ( -0.019 -2.181 3.323) 3.975 15.408 ( -2.147 3.511 -4.193) 5.875 15.820 ( 3.653 -10.456 2.704) 11.401 16.070 ( 5.799 5.341 1.182) 7.972 16.277 ( 1.234 -1.491 1.608) 2.516 17.032 ( 5.276 1.077 14.097) 15.090 17.116 ( -2.338 -1.873 14.020) 14.336 17.366 ( -1.673 0.975 13.406) 13.545 17.404 ( -4.754 0.136 6.774) 8.277 17.821 ( -3.572 3.129 11.192) 12.157 17.983 ( -0.653 1.049 -3.306) 3.530 18.132 ( -3.907 1.710 -7.584) 8.701 18.348 ( -3.284 -4.183 3.866) 6.574 18.491 ( -2.543 -1.477 -6.150) 6.817 18.601 ( -2.640 -2.863 1.589) 4.206 19.422 ( 2.073 8.714 1.195) 9.037 19.887 ( 0.992 -8.065 2.649) 8.547 23.276 ( 1.531 1.544 8.991) 9.250 23.355 ( 2.337 -1.135 6.271) 6.788 24.245 ( 0.595 0.467 -3.944) 4.016 24.266 ( -1.505 -0.088 -5.011) 5.233 26.506 ( -0.950 7.116 -1.466) 7.327 26.940 ( -2.891 -8.282 -1.102) 8.841 28.857 ( 0.489 4.196 1.179) 4.386 29.055 ( -0.911 -2.925 0.437) 3.095 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( -3.693 -4.341 0.827) 5.758 2.256 ( -1.714 -2.218 3.177) 4.237 2.336 ( -3.966 -1.724 1.155) 4.476 2.408 ( -0.768 -4.677 0.618) 4.779 2.538 ( -2.572 1.347 5.027) 5.805 2.609 ( -4.739 0.087 1.874) 5.097 2.728 ( -5.080 -0.064 -3.805) 6.347 2.738 ( -6.019 1.262 -1.183) 6.262 2.845 ( 5.988 4.893 -0.769) 7.771 2.951 ( 4.149 9.154 0.908) 10.091 2.970 ( 7.759 4.909 0.106) 9.183 3.040 ( 8.105 3.818 0.471) 8.972 3.282 ( -7.405 7.295 1.620) 10.520 3.385 ( -6.801 8.219 0.178) 10.670 3.586 ( 11.623 6.749 3.307) 13.842 3.653 ( 13.795 7.627 -0.797) 15.783 3.987 ( -1.474 -6.563 8.826) 11.097 4.113 ( -3.024 -8.745 -0.048) 9.253 4.318 ( 3.633 -10.064 7.774) 13.226 4.396 ( 3.423 -7.868 15.539) 17.751 4.606 ( 0.389 -0.066 24.130) 24.133 4.662 ( -0.279 -5.358 14.987) 15.918 4.906 ( -9.814 5.282 10.297) 15.174 5.046 ( -1.690 -2.307 -4.361) 5.216 5.124 ( -1.402 -2.337 -8.250) 8.689 5.197 ( -2.756 -4.625 1.834) 5.688 5.296 ( -1.911 0.414 -4.394) 4.809 5.325 ( -1.000 -0.666 -1.589) 1.992 5.425 ( 0.733 2.981 -3.072) 4.343 5.446 ( 0.311 2.271 0.897) 2.462 5.587 ( 1.784 2.993 -6.690) 7.543 5.711 ( 7.176 -1.583 -10.074) 12.470 6.015 ( -2.304 -0.338 -0.861) 2.483 6.081 ( -2.076 0.903 -0.624) 2.349 6.127 ( -0.343 -3.211 -0.580) 3.281 6.167 ( 0.303 -1.655 -2.036) 2.641 6.720 ( -3.576 0.258 -0.475) 3.616 6.773 ( 2.097 -0.999 -1.503) 2.767 6.913 ( -2.397 0.072 -1.232) 2.696 6.967 ( 2.232 -1.627 -1.362) 3.080 7.533 ( 0.148 3.285 2.907) 4.389 7.686 ( 1.544 0.083 2.674) 3.089 7.739 ( -2.431 -0.079 -2.015) 3.159 7.847 ( -1.439 2.172 5.948) 6.493 7.981 ( 1.956 -0.030 -2.931) 3.524 8.115 ( 0.891 -1.365 -5.765) 5.991 8.377 ( -0.295 -0.190 -0.089) 0.362 8.409 ( 1.477 -2.698 -2.208) 3.787 8.716 ( 1.466 2.265 2.440) 3.638 8.889 ( 1.612 -1.556 -4.628) 5.142 8.899 ( 2.090 3.928 -7.224) 8.485 9.183 ( 0.983 -2.592 -7.648) 8.135 9.406 ( 1.055 1.483 0.190) 1.830 9.498 ( 1.566 -0.286 0.461) 1.657 9.660 ( -0.494 -3.705 0.602) 3.786 9.722 ( -1.889 -3.509 1.898) 4.414 9.946 ( -0.872 8.727 1.274) 8.862 10.105 ( 1.057 3.497 -2.778) 4.589 10.277 ( -2.036 11.174 3.793) 11.974 10.534 ( 0.886 0.954 3.732) 3.953 10.612 ( -2.082 0.354 -1.555) 2.622 10.821 ( 0.899 -3.304 1.546) 3.757 11.113 ( -3.564 3.936 -0.562) 5.339 11.404 ( -3.100 -4.426 7.328) 9.104 11.471 ( -3.825 -0.829 14.076) 14.610 11.571 ( 2.299 -2.844 7.977) 8.775 11.690 ( -0.113 -5.484 14.991) 15.963 11.849 ( 1.142 -6.036 0.345) 6.153 11.989 ( 0.258 0.930 -4.808) 4.904 12.111 ( 2.895 -2.716 -3.817) 5.507 12.142 ( 1.835 -2.479 -5.568) 6.365 12.234 ( 0.966 -0.635 -6.411) 6.515 12.510 ( -0.017 1.443 0.005) 1.443 12.564 ( 1.797 0.437 -4.333) 4.712 13.120 ( -3.529 2.536 -0.253) 4.353 13.223 ( 1.902 -0.097 -0.830) 2.078 13.291 ( 1.975 3.247 -3.668) 5.282 13.454 ( -0.599 -1.903 -1.506) 2.500 13.882 ( -0.934 2.800 1.775) 3.445 13.961 ( 1.973 0.564 -1.605) 2.605 14.078 ( -1.830 4.909 -3.204) 6.140 14.310 ( -3.761 -2.410 -5.483) 7.072 15.110 ( -4.442 3.198 1.989) 5.824 15.235 ( 1.481 -1.321 5.032) 5.409 15.362 ( -2.603 3.735 -0.181) 4.557 15.807 ( -4.914 -10.911 2.682) 12.263 16.132 ( -0.285 3.852 -3.911) 5.497 16.306 ( 1.394 -0.136 -1.453) 2.018 17.047 ( -3.559 0.738 12.734) 13.243 17.143 ( 4.302 -2.170 12.150) 13.070 17.354 ( 2.737 0.870 10.750) 11.127 17.409 ( 2.973 -0.016 9.151) 9.622 17.791 ( 1.287 3.105 12.241) 12.694 17.988 ( 0.413 2.291 0.732) 2.441 18.102 ( 1.794 0.482 -7.125) 7.363 18.347 ( 2.990 -2.881 3.985) 5.755 18.481 ( 1.565 -1.394 -5.253) 5.655 18.623 ( 4.616 -3.598 -0.756) 5.901 19.474 ( 2.969 8.243 -3.616) 9.478 19.912 ( 1.486 -7.524 0.287) 7.674 23.247 ( -4.660 0.703 10.655) 11.650 23.303 ( -6.677 -1.046 11.584) 13.411 24.262 ( 1.760 1.156 -6.332) 6.673 24.303 ( 3.760 -0.157 -6.808) 7.779 26.512 ( 1.483 7.088 -2.043) 7.525 26.941 ( 2.981 -8.115 -1.233) 8.732 28.873 ( 1.061 3.696 -0.471) 3.874 29.047 ( 0.245 -2.558 1.205) 2.838 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( -9.630 2.522 3.832) 10.667 2.187 ( -5.791 -0.490 -2.578) 6.358 2.262 ( -4.292 1.539 7.930) 9.148 2.392 ( 0.043 -3.049 -0.083) 3.050 2.477 ( -5.303 2.844 -1.212) 6.139 2.531 ( -4.654 1.053 4.303) 6.425 2.585 ( -3.367 5.086 -2.398) 6.554 2.654 ( -2.680 0.153 -2.864) 3.925 2.830 ( -5.086 7.360 -2.314) 9.241 2.990 ( 1.984 4.537 -0.746) 5.007 3.157 ( 8.910 5.844 2.907) 11.045 3.244 ( 8.223 3.536 0.147) 8.952 3.355 ( 13.818 -1.835 2.825) 14.222 3.433 ( 7.679 1.004 0.004) 7.744 3.705 ( 1.411 3.018 4.404) 5.521 3.828 ( 0.020 0.738 -3.584) 3.659 4.037 ( 6.953 -7.400 10.317) 14.476 4.167 ( 11.040 -7.913 0.898) 13.613 4.375 ( 0.255 -7.834 11.890) 14.241 4.477 ( 2.142 -5.512 15.363) 16.462 4.592 ( -3.664 3.457 23.073) 23.617 4.648 ( -6.757 3.604 19.115) 20.592 4.691 ( 0.164 -1.818 8.968) 9.152 4.947 ( -4.991 -5.038 7.004) 9.967 5.003 ( -10.430 0.775 -15.390) 18.607 5.148 ( -5.510 -1.797 -10.190) 11.723 5.221 ( 0.905 -1.277 -13.956) 14.043 5.293 ( 0.240 -2.758 -6.662) 7.214 5.445 ( 2.084 3.116 8.011) 8.845 5.551 ( 3.776 1.230 5.893) 7.106 5.670 ( 3.832 3.677 -7.687) 9.343 5.828 ( 3.619 -1.444 -10.607) 11.300 5.936 ( -4.431 -0.194 2.032) 4.879 6.010 ( -5.093 -0.491 -2.749) 5.808 6.100 ( -2.359 -1.764 -1.207) 3.183 6.147 ( -2.602 -1.267 -3.054) 4.207 6.646 ( -3.247 3.906 1.246) 5.230 6.800 ( -0.193 -1.012 -2.283) 2.505 6.863 ( -1.062 2.071 -0.917) 2.502 7.019 ( 2.410 -3.568 -2.345) 4.903 7.532 ( -0.023 3.134 4.216) 5.254 7.640 ( -5.585 1.818 0.213) 5.878 7.736 ( 3.044 1.210 -0.953) 3.411 7.877 ( 3.107 1.519 1.851) 3.922 8.031 ( 2.701 -1.234 -2.054) 3.611 8.119 ( -0.338 -4.165 -2.817) 5.039 8.366 ( -1.474 2.343 -1.070) 2.968 8.442 ( 2.052 0.516 -3.349) 3.961 8.787 ( 5.081 0.642 2.973) 5.922 8.930 ( 3.001 0.532 -2.884) 4.196 8.970 ( 3.629 0.659 -9.373) 10.073 9.223 ( 2.646 -3.388 -5.836) 7.249 9.408 ( -0.646 1.651 -1.259) 2.174 9.500 ( -2.893 1.576 -2.094) 3.903 9.646 ( -0.590 -2.954 -2.067) 3.653 9.679 ( -1.385 -5.328 2.330) 5.978 9.943 ( 0.545 5.394 2.931) 6.163 10.112 ( -0.319 2.648 -3.034) 4.040 10.255 ( -0.678 11.320 7.905) 13.824 10.491 ( -5.432 -0.732 -0.259) 5.487 10.604 ( 1.490 2.233 5.232) 5.881 10.835 ( 0.852 -3.467 -0.494) 3.604 11.037 ( -2.789 2.099 -2.105) 4.076 11.299 ( -5.609 0.057 6.241) 8.392 11.439 ( -0.472 -2.830 11.775) 12.119 11.565 ( -2.008 -4.925 5.681) 7.782 11.715 ( 1.306 -2.383 14.901) 15.147 11.850 ( -1.215 -3.312 -1.868) 3.992 11.991 ( 1.022 0.646 -0.222) 1.230 12.130 ( 0.446 -4.065 -6.288) 7.501 12.241 ( 5.325 -1.240 -2.075) 5.848 12.291 ( 4.308 -1.207 -3.402) 5.621 12.530 ( 1.957 1.804 -0.777) 2.773 12.601 ( 1.643 0.883 -5.954) 6.239 13.065 ( -1.053 4.308 -0.848) 4.515 13.253 ( -0.558 -1.536 -0.132) 1.640 13.330 ( 1.106 0.717 -3.850) 4.069 13.425 ( -0.841 -3.222 -0.882) 3.445 13.863 ( -1.120 3.116 2.457) 4.123 13.976 ( -2.309 2.243 -0.839) 3.327 14.051 ( 0.807 1.836 -3.558) 4.085 14.182 ( -7.806 -1.514 -6.731) 10.418 15.007 ( -4.151 3.889 3.610) 6.737 15.230 ( -3.940 -3.539 0.562) 5.326 15.303 ( -2.160 3.444 4.949) 6.404 15.666 ( -7.348 -8.774 0.706) 11.466 16.065 ( -5.323 6.303 -6.642) 10.592 16.332 ( 1.033 -2.901 -3.143) 4.400 16.965 ( -4.312 2.992 12.374) 13.441 17.207 ( 1.321 -4.917 13.187) 14.136 17.465 ( 7.179 -0.402 10.136) 12.427 17.507 ( 6.576 -1.154 9.366) 11.502 17.878 ( 6.114 3.266 5.060) 8.582 18.025 ( 4.529 1.453 4.556) 6.586 18.193 ( 6.488 3.351 -5.356) 9.056 18.439 ( 5.187 -0.860 2.071) 5.651 18.550 ( 5.053 -0.727 -1.125) 5.227 18.762 ( 8.092 -4.323 -3.547) 9.836 19.550 ( 4.916 7.403 -7.454) 11.599 19.954 ( 2.974 -6.976 -2.138) 7.879 23.049 ( -14.293 0.732 15.912) 21.402 23.159 ( -7.035 -2.965 12.549) 14.689 24.308 ( 2.488 2.146 -8.402) 9.022 24.395 ( 5.169 -0.683 -6.772) 8.547 26.560 ( 2.982 8.377 -2.077) 9.131 27.056 ( 8.077 -9.340 -0.372) 12.354 28.896 ( 1.080 3.710 -1.698) 4.221 29.064 ( 1.266 -2.330 1.260) 2.936 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.885 ( -7.515 8.839 11.762) 16.521 2.073 ( -5.405 7.223 -8.945) 12.704 2.176 ( -5.966 2.196 10.199) 12.018 2.254 ( -8.736 9.961 7.052) 15.009 2.370 ( -3.810 6.280 -0.492) 7.362 2.437 ( -2.303 -0.960 -9.876) 10.186 2.634 ( 3.680 -2.632 1.253) 4.695 2.683 ( 3.735 -4.211 -5.295) 7.728 2.796 ( 2.145 2.067 2.238) 3.726 3.055 ( 1.923 0.985 -4.470) 4.965 3.230 ( 4.423 3.642 5.630) 8.033 3.413 ( 5.109 1.698 -3.290) 6.310 3.530 ( 1.873 -2.491 6.133) 6.879 3.610 ( 2.315 -2.440 2.610) 4.257 3.791 ( 10.786 -0.416 5.982) 12.341 3.877 ( 11.314 3.509 -2.726) 12.156 4.051 ( -13.933 -0.132 25.264) 28.852 4.307 ( 4.429 -8.041 8.634) 12.603 4.375 ( 5.011 -9.851 3.162) 11.496 4.513 ( 1.153 -4.103 3.132) 5.289 4.560 ( 0.534 -3.124 10.695) 11.155 4.633 ( -0.138 -3.594 21.813) 22.108 4.718 ( 2.725 0.981 9.582) 10.010 4.836 ( 0.159 2.323 -7.873) 8.210 4.906 ( -0.133 -4.940 7.778) 9.215 5.084 ( -0.777 -2.829 -10.873) 11.262 5.232 ( -0.657 -0.648 -11.520) 11.557 5.301 ( -0.080 -2.349 -5.994) 6.438 5.472 ( 0.186 3.393 4.937) 5.993 5.571 ( -2.260 1.533 4.723) 5.456 5.689 ( -2.007 5.960 -4.388) 7.668 5.800 ( -5.120 -0.616 -7.398) 9.018 5.860 ( -6.735 2.246 -4.486) 8.398 5.910 ( -1.474 -0.404 -3.488) 3.808 6.033 ( -5.590 0.617 -5.319) 7.741 6.098 ( 0.412 -1.397 -1.275) 1.936 6.590 ( -2.386 6.897 1.880) 7.536 6.774 ( -1.334 2.352 -1.585) 3.134 6.872 ( 1.060 0.850 0.288) 1.389 7.068 ( 2.473 -3.667 -4.212) 6.108 7.531 ( -0.889 1.848 3.651) 4.187 7.562 ( -0.681 2.438 1.352) 2.870 7.805 ( 3.409 1.340 -0.391) 3.684 7.937 ( 2.222 1.820 -2.296) 3.677 8.073 ( 0.825 -3.508 0.071) 3.604 8.113 ( 0.289 -4.886 -2.166) 5.352 8.312 ( -3.532 4.276 -2.170) 5.955 8.492 ( 2.428 0.016 -3.658) 4.390 8.883 ( 3.042 -2.014 0.847) 3.745 8.997 ( 2.946 -1.542 -3.104) 4.549 9.043 ( 4.634 4.323 -3.937) 7.461 9.267 ( 0.687 -1.359 -5.793) 5.990 9.372 ( -4.023 1.378 -1.885) 4.652 9.418 ( -2.015 2.592 -5.398) 6.318 9.623 ( -1.647 -1.990 0.395) 2.613 9.650 ( -2.700 -6.350 2.149) 7.227 9.958 ( 1.088 1.824 0.684) 2.232 10.119 ( 0.325 1.329 -4.071) 4.295 10.222 ( -2.379 6.020 6.085) 8.884 10.370 ( -4.302 -1.473 -0.595) 4.586 10.652 ( 3.009 3.165 7.573) 8.741 10.849 ( 0.069 -1.269 0.878) 1.545 11.027 ( 1.592 2.976 -2.701) 4.323 11.212 ( -2.457 0.393 2.771) 3.724 11.421 ( -1.528 -2.943 7.824) 8.498 11.534 ( -0.957 -4.925 7.152) 8.736 11.704 ( -2.527 0.231 8.843) 9.200 11.802 ( -3.221 -2.882 -1.164) 4.477 12.040 ( 2.711 2.138 5.344) 6.363 12.145 ( 1.803 -1.462 -5.006) 5.518 12.316 ( 2.345 -0.839 4.062) 4.765 12.409 ( 6.448 -4.452 0.373) 7.844 12.570 ( 1.587 2.691 -1.544) 3.485 12.634 ( 2.389 1.055 -9.305) 9.665 13.084 ( -0.066 4.156 -5.780) 7.119 13.195 ( -1.250 2.758 -2.198) 3.742 13.315 ( -2.815 -2.607 -1.700) 4.197 13.439 ( 0.889 -4.019 2.398) 4.763 13.816 ( -3.659 3.087 -1.140) 4.921 13.887 ( -5.468 -0.894 0.542) 5.567 14.041 ( -1.849 1.789 -4.799) 5.445 14.106 ( 0.942 -1.055 -5.190) 5.379 14.939 ( -3.320 3.003 5.941) 7.439 15.099 ( -7.272 -2.837 -1.564) 7.961 15.287 ( 0.892 0.304 5.482) 5.562 15.553 ( -3.654 -6.417 -0.392) 7.395 15.967 ( -3.331 7.676 -5.629) 10.085 16.331 ( -1.419 -5.711 -4.304) 7.290 16.881 ( -3.792 4.761 14.768) 15.973 17.186 ( -3.175 -5.330 14.710) 15.965 17.614 ( 7.005 -0.373 4.819) 8.511 17.661 ( 7.568 -2.266 6.469) 10.211 17.991 ( 4.843 3.530 2.529) 6.504 18.168 ( 7.733 -2.887 4.739) 9.518 18.365 ( 10.526 5.952 -1.429) 12.176 18.547 ( 5.670 3.506 -1.514) 6.836 18.663 ( 5.362 -1.020 2.366) 5.949 18.914 ( 6.011 -4.842 -6.506) 10.095 19.684 ( 8.306 6.814 -9.492) 14.336 20.044 ( 5.853 -6.091 -5.142) 9.889 22.715 ( -17.630 2.829 22.366) 28.619 23.016 ( -6.645 -8.366 12.589) 16.511 24.352 ( 1.646 3.455 -8.908) 9.695 24.508 ( 5.742 -1.990 -5.437) 8.154 26.621 ( 2.755 10.826 -1.766) 11.310 27.253 ( 10.753 -12.255 1.030) 16.337 28.915 ( 0.846 4.269 -1.728) 4.683 29.090 ( 0.922 -2.031 -0.249) 2.244 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -5.103 16.370 15.309) 22.986 1.949 ( -6.191 10.505 4.690) 13.065 2.014 ( -5.702 13.190 4.415) 15.033 2.191 ( -1.023 0.885 1.205) 1.812 2.345 ( 1.225 3.659 -6.706) 7.737 2.440 ( 2.158 -1.339 -6.517) 6.995 2.644 ( -3.685 -6.446 3.749) 8.318 2.712 ( 1.703 -7.024 -7.228) 10.222 2.889 ( 4.410 4.263 4.184) 7.425 3.103 ( 3.240 2.683 -3.313) 5.354 3.331 ( 0.781 -2.065 7.782) 8.090 3.453 ( -0.320 -6.739 -3.349) 7.532 3.528 ( 0.385 6.363 8.031) 10.253 3.616 ( 3.519 6.946 2.603) 8.210 3.724 ( -12.448 5.743 29.219) 32.275 4.087 ( 13.703 -6.022 11.283) 18.744 4.190 ( 12.430 -2.085 0.686) 12.622 4.290 ( -3.840 -4.333 -20.988) 21.772 4.450 ( 1.133 -12.875 2.456) 13.156 4.471 ( 3.019 -16.109 5.668) 17.342 4.615 ( 0.446 -3.679 21.468) 21.785 4.677 ( 4.162 -3.190 18.780) 19.498 4.797 ( 1.918 -2.624 13.743) 14.122 4.856 ( -0.726 -4.388 7.582) 8.790 5.000 ( 7.764 -0.228 -3.585) 8.555 5.087 ( 0.707 -3.286 -7.327) 8.062 5.213 ( -0.337 1.935 -10.677) 10.856 5.286 ( -1.014 -0.743 -5.094) 5.247 5.426 ( -5.789 4.594 3.545) 8.197 5.480 ( -3.266 1.661 0.407) 3.687 5.609 ( -5.864 3.894 -5.217) 8.761 5.659 ( -8.714 -0.013 -3.980) 9.580 5.738 ( -2.960 8.295 -4.075) 9.705 5.885 ( -2.562 6.545 -8.331) 10.900 5.939 ( -1.430 1.238 -4.335) 4.730 6.130 ( 1.546 -1.982 -2.623) 3.633 6.550 ( -1.426 9.096 1.942) 9.410 6.755 ( -0.568 3.469 -1.734) 3.920 6.898 ( 1.525 1.274 2.031) 2.841 7.112 ( 1.482 -2.646 -5.017) 5.863 7.522 ( 0.657 1.387 1.327) 2.029 7.589 ( 2.111 -0.400 3.216) 3.867 7.852 ( 0.713 0.949 3.368) 3.571 7.964 ( 0.391 0.984 -4.882) 4.995 8.065 ( -0.332 -3.099 6.452) 7.165 8.137 ( 1.593 -2.899 -8.296) 8.931 8.236 ( -3.363 3.884 -2.297) 5.628 8.512 ( -0.934 -3.887 -6.912) 7.985 8.914 ( 1.371 -0.577 1.045) 1.818 9.041 ( 1.632 -1.632 -1.713) 2.874 9.147 ( 2.157 2.663 0.265) 3.437 9.217 ( -2.149 5.152 -5.484) 7.826 9.308 ( -2.458 -0.261 -2.781) 3.720 9.419 ( 0.777 -2.618 -6.262) 6.831 9.540 ( -4.455 -1.402 5.847) 7.483 9.620 ( -0.537 -2.693 -6.972) 7.493 9.979 ( 0.114 -0.886 -1.870) 2.073 10.073 ( -3.168 -1.338 -2.297) 4.135 10.195 ( -0.407 1.556 0.612) 1.721 10.371 ( 3.392 -5.154 1.077) 6.263 10.716 ( 2.509 5.831 5.002) 8.082 10.855 ( 1.639 2.271 2.230) 3.580 11.035 ( -1.795 4.648 1.924) 5.341 11.227 ( 3.769 -1.154 -0.639) 3.993 11.399 ( -0.588 -2.179 6.681) 7.052 11.490 ( -3.695 -1.484 4.187) 5.778 11.616 ( -5.552 2.319 5.442) 8.113 11.759 ( -0.277 -5.683 0.759) 5.740 12.052 ( -0.897 3.540 2.237) 4.283 12.228 ( 4.721 -3.297 4.916) 7.572 12.365 ( 3.126 -0.519 5.942) 6.735 12.479 ( 0.161 -3.233 0.291) 3.250 12.649 ( 5.465 1.206 -3.379) 6.538 12.706 ( 5.043 1.132 -5.936) 7.871 12.986 ( -6.490 5.412 -4.894) 9.766 13.170 ( -5.381 -0.255 -0.464) 5.407 13.307 ( 1.554 4.758 -5.657) 7.554 13.420 ( -1.715 -3.631 -1.271) 4.212 13.756 ( -1.074 3.556 -0.690) 3.779 13.824 ( 0.023 -1.978 -2.765) 3.400 14.018 ( -1.636 1.098 -0.891) 2.162 14.120 ( 0.395 -3.172 -3.923) 5.060 14.866 ( -3.330 0.957 6.896) 7.717 14.978 ( -4.013 -1.916 -2.590) 5.147 15.344 ( 3.725 -2.031 6.162) 7.482 15.507 ( -0.900 -3.192 -2.219) 3.990 15.936 ( -0.174 5.194 -2.312) 5.688 16.274 ( -3.789 -6.962 -4.319) 9.026 16.818 ( -2.384 5.340 17.429) 18.385 17.101 ( -4.452 -4.589 15.685) 16.938 17.735 ( 4.434 0.138 -2.790) 5.241 17.781 ( 4.025 -1.698 1.710) 4.691 18.069 ( 2.545 4.124 7.272) 8.739 18.298 ( 4.874 -3.913 6.409) 8.952 18.576 ( 8.243 3.195 -1.861) 9.034 18.681 ( 7.627 5.343 -3.108) 9.817 18.755 ( 3.706 -0.936 1.610) 4.147 18.978 ( 0.054 -4.115 -9.134) 10.018 19.862 ( 7.682 6.278 -8.426) 13.016 20.158 ( 3.709 -4.426 -7.508) 9.472 22.394 ( -12.015 4.915 28.256) 31.095 22.913 ( -3.015 -14.958 11.836) 19.311 24.372 ( 0.339 4.956 -8.475) 9.824 24.615 ( 4.363 -3.771 -4.416) 7.263 26.664 ( 1.341 13.498 -1.354) 13.632 27.463 ( 8.848 -16.645 1.299) 18.895 28.939 ( 1.733 4.617 -0.899) 5.013 29.085 ( -1.736 -0.835 -1.928) 2.726 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.981 ( -1.240 -2.842 13.265) 13.623 1.981 ( -1.240 2.842 13.265) 13.623 2.213 ( 0.192 -4.922 2.228) 5.406 2.213 ( 0.192 4.922 2.228) 5.406 2.368 ( -0.691 -3.731 4.679) 6.025 2.368 ( -0.691 3.731 4.679) 6.025 2.616 ( 0.817 -5.184 -12.803) 13.837 2.616 ( 0.817 5.184 -12.803) 13.837 3.120 ( 0.053 -7.686 0.390) 7.696 3.120 ( 0.053 7.686 0.390) 7.696 3.245 ( -0.451 -4.084 2.040) 4.587 3.245 ( -0.451 4.084 2.040) 4.587 3.747 ( 1.449 -14.554 23.219) 27.442 3.747 ( 1.449 14.554 23.219) 27.442 3.899 ( -1.905 -5.206 7.965) 9.704 3.899 ( -1.905 5.206 7.965) 9.704 4.148 ( -1.882 -6.501 -0.232) 6.772 4.148 ( -1.882 6.501 -0.232) 6.772 4.290 ( 1.624 -4.518 -7.876) 9.224 4.290 ( 1.624 4.518 -7.876) 9.224 4.650 ( -0.090 -1.820 11.693) 11.834 4.650 ( -0.090 1.820 11.693) 11.834 4.779 ( 1.182 -1.910 10.511) 10.749 4.779 ( 1.182 1.910 10.511) 10.749 5.086 ( -0.528 -0.846 0.875) 1.326 5.086 ( -0.528 0.846 0.875) 1.326 5.294 ( 1.977 -1.803 -6.414) 6.950 5.294 ( 1.977 1.803 -6.414) 6.950 5.403 ( -3.507 -1.270 -2.287) 4.376 5.403 ( -3.507 1.270 -2.287) 4.376 5.558 ( 1.787 -0.999 -4.662) 5.091 5.558 ( 1.787 0.999 -4.662) 5.091 5.879 ( -0.999 -3.067 -2.681) 4.194 5.879 ( -0.999 3.067 -2.681) 4.194 6.069 ( 0.245 -5.728 -4.112) 7.056 6.069 ( 0.245 5.728 -4.112) 7.056 6.729 ( 0.299 -5.570 0.595) 5.609 6.729 ( 0.299 5.570 0.595) 5.609 7.030 ( -0.150 -5.781 -1.725) 6.034 7.030 ( -0.150 5.781 -1.725) 6.034 7.564 ( -0.759 -2.953 3.786) 4.861 7.564 ( -0.759 2.953 3.786) 4.861 7.901 ( -0.396 -2.605 8.551) 8.948 7.901 ( -0.396 2.605 8.551) 8.948 8.120 ( 2.486 -1.672 -9.279) 9.751 8.120 ( 2.486 1.672 -9.279) 9.751 8.314 ( -1.367 -7.690 -8.722) 11.708 8.314 ( -1.367 7.690 -8.722) 11.708 8.990 ( 0.114 -3.531 1.038) 3.682 8.990 ( 0.114 3.531 1.038) 3.682 9.191 ( -2.388 -3.282 3.369) 5.274 9.191 ( -2.388 3.282 3.369) 5.274 9.319 ( 0.982 -4.018 -6.437) 7.651 9.319 ( 0.982 4.018 -6.437) 7.651 9.579 ( 1.442 -2.076 -4.457) 5.124 9.579 ( 1.442 2.076 -4.457) 5.124 9.956 ( -1.707 -2.019 -0.755) 2.749 9.956 ( -1.707 2.019 -0.755) 2.749 10.274 ( 1.414 -5.853 -1.952) 6.329 10.274 ( 1.414 5.853 -1.952) 6.329 10.895 ( 1.300 -5.189 3.560) 6.426 10.895 ( 1.300 5.189 3.560) 6.426 11.150 ( -1.933 -7.329 0.243) 7.583 11.150 ( -1.933 7.329 0.243) 7.583 11.416 ( 2.058 -2.531 5.723) 6.588 11.416 ( 2.058 2.531 5.723) 6.588 11.660 ( 0.390 -3.982 1.525) 4.282 11.660 ( 0.390 3.982 1.525) 4.282 12.090 ( -2.850 -4.295 5.770) 7.737 12.090 ( -2.850 4.295 5.770) 7.737 12.448 ( 2.174 -2.464 -1.228) 3.508 12.448 ( 2.174 2.464 -1.228) 3.508 12.766 ( -1.644 -2.046 0.682) 2.711 12.766 ( -1.644 2.046 0.682) 2.711 13.055 ( 1.580 -6.304 -1.244) 6.617 13.055 ( 1.580 6.304 -1.244) 6.617 13.368 ( -1.067 -2.074 -5.810) 6.260 13.368 ( -1.067 2.074 -5.810) 6.260 13.810 ( -0.499 -2.458 -1.529) 2.937 13.810 ( -0.499 2.458 -1.529) 2.937 14.030 ( 0.257 -3.690 -1.572) 4.020 14.030 ( 0.257 3.690 -1.572) 4.020 14.861 ( -0.548 -4.216 2.883) 5.136 14.861 ( -0.548 4.216 2.883) 5.136 15.435 ( 2.020 -3.921 -0.131) 4.412 15.435 ( 2.020 3.921 -0.131) 4.412 16.038 ( -1.966 -6.429 -1.312) 6.850 16.038 ( -1.966 6.429 -1.312) 6.850 16.922 ( -0.811 -6.039 17.895) 18.904 16.922 ( -0.811 6.039 17.895) 18.904 17.802 ( 0.581 -1.676 -3.771) 4.167 17.802 ( 0.581 1.676 -3.771) 4.167 18.228 ( 0.313 -6.608 9.782) 11.809 18.228 ( 0.313 6.608 9.782) 11.809 18.745 ( -0.283 -3.682 -3.587) 5.148 18.745 ( -0.283 3.682 -3.587) 5.148 18.880 ( 0.734 -1.755 -6.606) 6.874 18.880 ( 0.734 1.755 -6.606) 6.874 20.045 ( -4.827 -5.833 -1.092) 7.650 20.045 ( -4.827 5.833 -1.092) 7.650 22.524 ( 3.572 -13.984 18.734) 23.649 22.524 ( 3.572 13.984 18.734) 23.649 24.521 ( -0.382 -7.366 -6.181) 9.623 24.521 ( -0.382 7.366 -6.181) 9.623 27.088 ( -0.084 -21.236 -0.667) 21.247 27.088 ( -0.084 21.236 -0.667) 21.247 29.036 ( -0.517 -1.173 -0.672) 1.447 29.036 ( -0.517 1.173 -0.672) 1.447 ======================= Grid point 155 (89/96) ======================= q-point: ( 0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 1.717 -5.608 13.799) 14.994 1.995 ( 1.717 5.608 13.799) 14.994 2.210 ( -0.114 -8.241 6.290) 10.368 2.210 ( -0.114 8.241 6.290) 10.368 2.400 ( 4.215 -4.832 0.048) 6.412 2.400 ( 4.215 4.832 0.048) 6.412 2.606 ( -0.995 -5.809 -11.231) 12.684 2.606 ( -0.995 5.809 -11.231) 12.684 3.103 ( -2.175 -5.665 -0.016) 6.069 3.103 ( -2.175 5.665 -0.016) 6.069 3.232 ( -1.162 -7.799 2.338) 8.225 3.232 ( -1.162 7.799 2.338) 8.225 3.764 ( -3.534 -4.228 13.121) 14.231 3.764 ( -3.534 4.228 13.121) 14.231 3.905 ( 6.619 -11.957 14.090) 19.629 3.905 ( 6.619 11.957 14.090) 19.629 4.018 ( -8.916 -7.599 2.158) 11.912 4.018 ( -8.916 7.599 2.158) 11.912 4.315 ( 0.275 -3.052 -4.320) 5.297 4.315 ( 0.275 3.052 -4.320) 5.297 4.638 ( -1.544 -0.994 12.986) 13.115 4.638 ( -1.544 0.994 12.986) 13.115 4.794 ( -0.463 -1.446 10.754) 10.861 4.794 ( -0.463 1.446 10.754) 10.861 5.018 ( -4.918 -2.500 -2.619) 6.107 5.018 ( -4.918 2.500 -2.619) 6.107 5.245 ( -2.108 -3.185 -10.191) 10.883 5.245 ( -2.108 3.185 -10.191) 10.883 5.478 ( 6.573 -1.327 4.775) 8.232 5.478 ( 6.573 1.327 4.775) 8.232 5.669 ( 6.611 -2.017 -8.386) 10.867 5.669 ( 6.611 2.017 -8.386) 10.867 5.870 ( 0.769 -3.845 -1.494) 4.196 5.870 ( 0.769 3.845 -1.494) 4.196 6.054 ( -1.478 -5.080 -3.931) 6.591 6.054 ( -1.478 5.080 -3.931) 6.591 6.737 ( 0.429 -5.061 -0.237) 5.085 6.737 ( 0.429 5.061 -0.237) 5.085 7.003 ( -2.277 -4.359 -1.258) 5.076 7.003 ( -2.277 4.359 -1.258) 5.076 7.535 ( -1.308 -3.193 5.941) 6.870 7.535 ( -1.308 3.193 5.941) 6.870 7.907 ( 0.462 -3.370 4.869) 5.940 7.907 ( 0.462 3.370 4.869) 5.940 8.127 ( -1.223 -2.572 -9.460) 9.880 8.127 ( -1.223 2.572 -9.460) 9.880 8.343 ( 3.117 -6.234 -6.745) 9.699 8.343 ( 3.117 6.234 -6.745) 9.699 8.968 ( -2.008 -4.409 0.845) 4.918 8.968 ( -2.008 4.409 0.845) 4.918 9.168 ( -0.560 -4.127 4.118) 5.857 9.168 ( -0.560 4.127 4.118) 5.857 9.353 ( 2.265 -3.596 -4.827) 6.431 9.353 ( 2.265 3.596 -4.827) 6.431 9.616 ( 2.053 -4.632 -6.681) 8.385 9.616 ( 2.053 4.632 -6.681) 8.385 9.939 ( 0.191 -3.076 3.226) 4.462 9.939 ( 0.191 3.076 3.226) 4.462 10.308 ( 1.898 -5.184 -3.084) 6.324 10.308 ( 1.898 5.184 -3.084) 6.324 10.886 ( -2.446 -4.300 0.746) 5.003 10.886 ( -2.446 4.300 0.746) 5.003 11.111 ( 0.081 -3.230 2.355) 3.998 11.111 ( 0.081 3.230 2.355) 3.998 11.492 ( 3.284 -3.369 1.014) 4.813 11.492 ( 3.284 3.369 1.014) 4.813 11.662 ( 0.308 -1.810 3.115) 3.616 11.662 ( 0.308 1.810 3.115) 3.616 12.046 ( -1.366 -4.800 8.797) 10.114 12.046 ( -1.366 4.800 8.797) 10.114 12.477 ( -1.614 -4.000 -1.011) 4.430 12.477 ( -1.614 4.000 -1.011) 4.430 12.635 ( -6.273 -1.494 0.042) 6.449 12.635 ( -6.273 1.494 0.042) 6.449 13.133 ( 2.839 -6.502 -3.968) 8.129 13.133 ( 2.839 6.502 -3.968) 8.129 13.376 ( 1.777 -1.619 -3.795) 4.493 13.376 ( 1.777 1.619 -3.795) 4.493 13.790 ( 0.273 -0.948 0.258) 1.020 13.790 ( 0.273 0.948 0.258) 1.020 14.041 ( 0.331 -2.962 -2.185) 3.696 14.041 ( 0.331 2.962 -2.185) 3.696 14.893 ( 3.396 -4.483 3.754) 6.762 14.893 ( 3.396 4.483 3.754) 6.762 15.463 ( 0.856 -3.265 -4.210) 5.396 15.463 ( 0.856 3.265 -4.210) 5.396 16.023 ( 0.553 -6.738 2.620) 7.250 16.023 ( 0.553 6.738 2.620) 7.250 16.935 ( 1.794 -6.309 18.866) 19.974 16.935 ( 1.794 6.309 18.866) 19.974 17.767 ( -4.106 -3.100 -1.634) 5.398 17.767 ( -4.106 3.100 -1.634) 5.398 18.194 ( -3.545 -5.672 6.925) 9.627 18.194 ( -3.545 5.672 6.925) 9.627 18.672 ( -6.109 -3.891 -2.587) 7.691 18.672 ( -6.109 3.891 -2.587) 7.691 18.865 ( -2.609 -3.051 -7.111) 8.166 18.865 ( -2.609 3.051 -7.111) 8.166 19.869 ( -10.298 -8.397 8.643) 15.852 19.869 ( -10.298 8.397 8.643) 15.852 22.701 ( 12.166 -10.272 10.194) 18.906 22.701 ( 12.166 10.272 10.194) 18.906 24.483 ( -3.288 -6.933 -5.449) 9.411 24.483 ( -3.288 6.933 -5.449) 9.411 27.037 ( -4.706 -19.832 -0.311) 20.385 27.037 ( -4.706 19.832 -0.311) 20.385 29.020 ( -0.961 -3.711 0.531) 3.870 29.020 ( -0.961 3.711 0.531) 3.870 ======================= Grid point 157 (90/96) ======================= q-point: ( 0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.020 ( 1.136 -8.331 12.427) 15.004 2.020 ( 1.136 8.331 12.427) 15.004 2.251 ( 3.895 -4.298 2.423) 6.286 2.251 ( 3.895 4.298 2.423) 6.286 2.503 ( 3.943 -3.512 0.806) 5.342 2.503 ( 3.943 3.512 0.806) 5.342 2.602 ( 1.225 -4.447 -6.331) 7.833 2.602 ( 1.225 4.447 -6.331) 7.833 3.038 ( -2.686 -11.147 -0.857) 11.498 3.038 ( -2.686 11.147 -0.857) 11.498 3.222 ( 1.324 -12.928 1.880) 13.131 3.222 ( 1.324 12.928 1.880) 13.131 3.630 ( -9.347 -8.853 7.152) 14.727 3.630 ( -9.347 8.853 7.152) 14.727 3.818 ( -8.504 -8.549 -1.359) 12.135 3.818 ( -8.504 8.549 -1.359) 12.135 4.124 ( 8.669 -7.927 12.657) 17.268 4.124 ( 8.669 7.927 12.657) 17.268 4.292 ( -1.508 -6.225 1.345) 6.545 4.292 ( -1.508 6.225 1.345) 6.545 4.570 ( -3.027 -4.212 20.191) 20.847 4.570 ( -3.027 4.212 20.191) 20.847 4.768 ( -2.732 -2.487 17.926) 18.303 4.768 ( -2.732 2.487 17.926) 18.303 4.980 ( 3.210 -4.923 -11.024) 12.493 4.980 ( 3.210 4.923 -11.024) 12.493 5.231 ( -0.516 -4.478 -14.348) 15.040 5.231 ( -0.516 4.478 -14.348) 15.040 5.557 ( 0.515 -1.888 8.321) 8.548 5.557 ( 0.515 1.888 8.321) 8.548 5.780 ( 3.846 -2.847 -9.228) 10.395 5.780 ( 3.846 2.847 -9.228) 10.395 5.917 ( 2.684 -5.159 -0.715) 5.859 5.917 ( 2.684 5.159 -0.715) 5.859 6.035 ( 0.869 -4.330 -4.425) 6.251 6.035 ( 0.869 4.330 -4.425) 6.251 6.745 ( 0.256 -4.197 -0.732) 4.268 6.745 ( 0.256 4.197 -0.732) 4.268 6.952 ( -2.350 -3.392 -0.905) 4.224 6.952 ( -2.350 3.392 -0.905) 4.224 7.534 ( 1.188 -2.306 7.203) 7.656 7.534 ( 1.188 2.306 7.203) 7.656 7.909 ( -0.270 -4.685 1.265) 4.861 7.909 ( -0.270 4.685 1.265) 4.861 8.090 ( -2.270 -2.223 -8.610) 9.177 8.090 ( -2.270 2.223 -8.610) 9.177 8.390 ( 1.012 -4.145 -3.904) 5.783 8.390 ( 1.012 4.145 -3.904) 5.783 8.912 ( -3.524 -4.612 1.187) 5.924 8.912 ( -3.524 4.612 1.187) 5.924 9.150 ( -1.414 -5.649 -0.241) 5.829 9.150 ( -1.414 5.649 -0.241) 5.829 9.394 ( 1.385 -1.133 -1.204) 2.157 9.394 ( 1.385 1.133 -1.204) 2.157 9.647 ( 0.856 -7.273 -5.664) 9.258 9.647 ( 0.856 7.273 -5.664) 9.258 9.976 ( 3.465 -4.724 5.904) 8.317 9.976 ( 3.465 4.724 5.904) 8.317 10.365 ( 4.170 -2.665 -1.814) 5.271 10.365 ( 4.170 2.665 -1.814) 5.271 10.805 ( -5.163 -4.404 1.181) 6.888 10.805 ( -5.163 4.404 1.181) 6.888 11.166 ( 4.519 -8.471 -2.281) 9.868 11.166 ( 4.519 8.471 -2.281) 9.868 11.512 ( -0.397 -5.942 -2.107) 6.317 11.512 ( -0.397 5.942 -2.107) 6.317 11.694 ( 2.257 -2.449 9.662) 10.220 11.694 ( 2.257 2.449 9.662) 10.220 11.998 ( -4.195 -3.810 8.326) 10.071 11.998 ( -4.195 3.810 8.326) 10.071 12.374 ( -4.992 -5.202 -0.283) 7.215 12.374 ( -4.992 5.202 -0.283) 7.215 12.587 ( -1.244 -3.040 -2.994) 4.445 12.587 ( -1.244 3.040 -2.994) 4.445 13.159 ( 1.273 -5.512 -2.904) 6.359 13.159 ( 1.273 5.512 -2.904) 6.359 13.394 ( -0.742 -4.674 -4.154) 6.297 13.394 ( -0.742 4.674 -4.154) 6.297 13.864 ( 5.873 -1.722 3.152) 6.884 13.864 ( 5.873 1.722 3.152) 6.884 14.047 ( 0.991 -3.427 -4.747) 5.937 14.047 ( 0.991 3.427 -4.747) 5.937 14.986 ( 5.454 -3.500 4.519) 7.900 14.986 ( 5.454 3.500 4.519) 7.900 15.485 ( 1.688 -5.184 -6.659) 8.606 15.485 ( 1.688 5.184 -6.659) 8.606 16.056 ( 2.504 -8.619 5.013) 10.280 16.056 ( 2.504 8.619 5.013) 10.280 16.982 ( 2.453 -6.855 18.485) 19.867 16.982 ( 2.453 6.855 18.485) 19.867 17.642 ( -7.568 -4.407 5.299) 10.236 17.642 ( -7.568 4.407 5.299) 10.236 18.099 ( -5.262 -2.681 0.963) 5.983 18.099 ( -5.262 2.681 0.963) 5.983 18.522 ( -8.240 -5.178 -0.837) 9.768 18.522 ( -8.240 5.178 -0.837) 9.768 18.771 ( -6.380 -4.816 -5.006) 9.432 18.771 ( -6.380 4.816 -5.006) 9.432 19.698 ( -5.671 -10.949 9.906) 15.816 19.698 ( -5.671 10.949 9.906) 15.816 22.966 ( 12.953 -4.937 5.635) 14.964 22.966 ( 12.953 4.937 5.635) 14.964 24.397 ( -4.827 -4.926 -4.293) 8.123 24.397 ( -4.827 4.926 -4.293) 8.123 26.916 ( -6.609 -15.957 0.016) 17.271 26.916 ( -6.609 15.957 0.016) 17.271 28.999 ( -1.050 -5.410 1.192) 5.639 28.999 ( -1.050 5.410 1.192) 5.639 ======================= Grid point 159 (91/96) ======================= q-point: ( 0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( 3.933 -5.427 7.882) 10.347 2.071 ( 3.933 5.427 7.882) 10.347 2.344 ( 4.078 -2.687 1.189) 5.026 2.344 ( 4.078 2.687 1.189) 5.026 2.502 ( -0.583 -4.143 1.002) 4.302 2.502 ( -0.583 4.143 1.002) 4.302 2.667 ( 3.372 -1.905 -3.907) 5.501 2.667 ( 3.372 1.905 -3.907) 5.501 3.043 ( 0.641 -10.471 1.729) 10.632 3.043 ( 0.641 10.471 1.729) 10.632 3.265 ( 0.774 -11.264 -0.246) 11.293 3.265 ( 0.774 11.264 -0.246) 11.293 3.419 ( -8.889 -2.091 2.878) 9.574 3.419 ( -8.889 2.091 2.878) 9.574 3.697 ( -1.015 -6.529 1.976) 6.896 3.697 ( -1.015 6.529 1.976) 6.896 4.088 ( -8.550 -4.930 3.186) 10.371 4.088 ( -8.550 4.930 3.186) 10.371 4.267 ( -4.148 -2.734 3.401) 6.021 4.267 ( -4.148 2.734 3.401) 6.021 4.640 ( 4.000 -1.474 29.244) 29.553 4.640 ( 4.000 1.474 29.244) 29.553 4.747 ( 6.166 -5.583 17.528) 19.402 4.747 ( 6.166 5.583 17.528) 19.402 5.099 ( 5.601 -2.623 -12.583) 14.021 5.099 ( 5.601 2.623 -12.583) 14.021 5.209 ( -0.291 -3.398 -14.605) 14.998 5.209 ( -0.291 3.398 -14.605) 14.998 5.537 ( -1.609 -3.178 9.096) 9.769 5.537 ( -1.609 3.178 9.096) 9.769 5.768 ( -4.578 -2.388 -11.748) 12.832 5.768 ( -4.578 2.388 -11.748) 12.832 5.983 ( 3.793 -4.517 1.793) 6.164 5.983 ( 3.793 4.517 1.793) 6.164 6.086 ( 2.724 -3.405 -4.300) 6.124 6.086 ( 2.724 3.405 -4.300) 6.124 6.747 ( -0.049 -2.969 -1.012) 3.137 6.747 ( -0.049 2.969 -1.012) 3.137 6.920 ( -0.572 -3.268 -0.905) 3.439 6.920 ( -0.572 3.268 -0.905) 3.439 7.570 ( 1.802 -2.289 6.456) 7.083 7.570 ( 1.802 2.289 6.456) 7.083 7.899 ( -0.829 -5.533 0.999) 5.683 7.899 ( -0.829 5.533 0.999) 5.683 8.040 ( -2.173 -2.491 -8.448) 9.072 8.040 ( -2.173 2.491 -8.448) 9.072 8.384 ( -1.162 -1.836 -1.203) 2.484 8.384 ( -1.162 1.836 -1.203) 2.484 8.835 ( -3.569 -4.005 1.178) 5.492 8.835 ( -3.569 4.005 1.178) 5.492 9.113 ( -1.992 -7.198 -5.236) 9.121 9.113 ( -1.992 7.198 -5.236) 9.121 9.409 ( 0.431 -2.035 2.396) 3.173 9.409 ( 0.431 2.035 2.396) 3.173 9.659 ( 0.588 -3.158 -2.914) 4.337 9.659 ( 0.588 3.158 -2.914) 4.337 10.058 ( 3.794 -4.053 4.000) 6.843 10.058 ( 3.794 4.053 4.000) 6.843 10.472 ( 5.526 -2.642 -0.246) 6.130 10.472 ( 5.526 2.642 -0.246) 6.130 10.691 ( -5.208 -2.628 1.398) 5.999 10.691 ( -5.208 2.628 1.398) 5.999 11.256 ( 3.547 -8.210 -4.109) 9.842 11.256 ( 3.547 8.210 -4.109) 9.843 11.511 ( 0.654 -3.676 2.224) 4.346 11.511 ( 0.654 3.676 2.224) 4.346 11.714 ( -1.436 -1.131 16.399) 16.501 11.714 ( -1.436 1.131 16.399) 16.501 11.927 ( -0.720 -1.782 -0.864) 2.107 11.927 ( -0.720 1.782 -0.864) 2.107 12.288 ( -4.220 -3.559 -3.105) 6.334 12.288 ( -4.220 3.559 -3.105) 6.334 12.556 ( -1.334 -2.043 -1.746) 3.000 12.556 ( -1.334 2.043 -1.746) 3.000 13.208 ( 2.845 -5.124 -3.100) 6.631 13.208 ( 2.845 5.124 -3.100) 6.631 13.358 ( -2.008 -3.004 -2.098) 4.179 13.358 ( -2.008 3.004 -2.098) 4.179 13.937 ( 0.738 -3.097 4.693) 5.671 13.937 ( 0.738 3.097 4.693) 5.671 14.123 ( 5.945 -4.565 -7.659) 10.716 14.123 ( 5.945 4.565 -7.659) 10.716 15.099 ( 5.175 -4.382 4.249) 8.003 15.099 ( 5.175 4.382 4.249) 8.003 15.532 ( 2.606 -7.286 -5.359) 9.412 15.532 ( 2.606 7.286 -5.359) 9.412 16.120 ( 3.685 -7.559 5.348) 9.966 16.120 ( 3.685 7.559 5.348) 9.966 17.030 ( 2.127 -5.529 16.089) 17.145 17.030 ( 2.127 5.529 16.089) 17.145 17.491 ( -6.626 -3.515 10.267) 12.714 17.491 ( -6.626 3.515 10.267) 12.714 17.997 ( -4.534 -2.717 -1.683) 5.547 17.997 ( -4.534 2.717 -1.683) 5.547 18.354 ( -7.764 -5.171 -0.320) 9.334 18.354 ( -7.764 5.171 -0.320) 9.334 18.626 ( -7.148 -4.456 -2.216) 8.710 18.626 ( -7.148 4.456 -2.216) 8.710 19.641 ( -0.421 -11.684 6.087) 13.181 19.641 ( -0.421 11.684 6.087) 13.181 23.199 ( 9.312 -1.600 5.230) 10.799 23.199 ( 9.312 1.600 5.230) 10.799 24.303 ( -3.856 -2.489 -3.395) 5.709 24.303 ( -3.856 2.489 -3.395) 5.709 26.790 ( -5.279 -12.497 -0.459) 13.574 26.790 ( -5.279 12.497 -0.459) 13.574 28.978 ( -0.939 -5.458 1.148) 5.655 28.978 ( -0.939 5.458 1.148) 5.655 ======================= Grid point 161 (92/96) ======================= q-point: ( 0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 3.456 -1.632 3.868) 5.438 2.155 ( 3.456 1.632 3.868) 5.438 2.362 ( -0.722 -2.066 1.349) 2.571 2.362 ( -0.722 2.066 1.349) 2.571 2.595 ( 6.972 -1.488 2.951) 7.716 2.595 ( 6.972 1.488 2.951) 7.716 2.742 ( 3.796 -1.172 -3.726) 5.447 2.742 ( 3.796 1.172 -3.726) 5.447 2.938 ( -6.807 -2.916 1.901) 7.646 2.938 ( -6.807 2.916 1.901) 7.646 3.103 ( -11.430 -1.027 -1.759) 11.610 3.103 ( -11.430 1.027 -1.759) 11.610 3.499 ( 10.765 -5.434 3.355) 12.517 3.499 ( 10.765 5.434 3.355) 12.517 3.746 ( -0.622 -1.824 1.785) 2.626 3.746 ( -0.622 1.824 1.785) 2.626 3.923 ( -3.086 -9.811 3.903) 11.001 3.923 ( -3.086 9.811 3.903) 11.001 4.154 ( -5.425 -8.644 3.539) 10.802 4.154 ( -5.425 8.644 3.539) 10.802 4.623 ( -1.669 -1.198 29.440) 29.512 4.623 ( -1.669 1.198 29.440) 29.512 4.974 ( 8.960 -2.255 3.828) 10.001 4.974 ( 8.960 2.255 3.828) 10.001 5.117 ( -0.510 -1.883 -5.014) 5.380 5.117 ( -0.510 1.883 -5.014) 5.380 5.274 ( 3.280 -1.071 -2.428) 4.219 5.274 ( 3.280 1.071 -2.428) 4.219 5.515 ( -0.272 -1.141 0.454) 1.258 5.515 ( -0.272 1.141 0.454) 1.258 5.649 ( -5.477 -2.452 -10.975) 12.508 5.649 ( -5.477 2.452 -10.975) 12.508 6.041 ( 1.617 -2.921 -0.642) 3.400 6.041 ( 1.617 2.921 -0.642) 3.400 6.121 ( 0.752 -1.508 -1.704) 2.396 6.121 ( 0.752 1.508 -1.704) 2.396 6.744 ( -0.149 -1.152 -1.212) 1.679 6.744 ( -0.149 1.152 -1.212) 1.679 6.923 ( 0.515 -2.365 -1.457) 2.825 6.923 ( 0.515 2.365 -1.457) 2.825 7.597 ( 0.905 -3.801 4.570) 6.013 7.597 ( 0.905 3.801 4.570) 6.013 7.870 ( -1.959 -5.014 4.040) 6.731 7.870 ( -1.959 5.014 4.040) 6.731 8.018 ( -0.009 -4.673 -9.417) 10.513 8.018 ( -0.009 4.673 -9.417) 10.513 8.365 ( -0.205 -1.860 -0.444) 1.923 8.365 ( -0.205 1.860 -0.444) 1.923 8.780 ( -1.591 -3.483 0.748) 3.901 8.780 ( -1.591 3.483 0.748) 3.901 9.079 ( -1.135 -7.311 -7.126) 10.273 9.079 ( -1.135 7.311 -7.126) 10.273 9.426 ( 1.362 -2.580 3.127) 4.276 9.426 ( 1.362 2.580 3.127) 4.276 9.668 ( -0.036 -1.856 -1.795) 2.582 9.668 ( -0.036 1.856 -1.795) 2.582 10.110 ( 1.176 -2.457 2.643) 3.795 10.110 ( 1.176 2.457 2.643) 3.795 10.521 ( -1.258 -4.849 -1.321) 5.181 10.521 ( -1.258 4.849 -1.321) 5.181 10.654 ( 1.803 -3.797 2.975) 5.150 10.654 ( 1.803 3.797 2.975) 5.150 11.293 ( -0.177 -6.009 -0.115) 6.012 11.293 ( -0.177 6.009 -0.115) 6.012 11.535 ( 1.035 -1.806 4.962) 5.381 11.535 ( 1.035 1.806 4.962) 5.381 11.657 ( -2.546 -2.736 16.688) 17.102 11.657 ( -2.546 2.736 16.688) 17.102 11.968 ( 3.386 -2.254 -7.053) 8.142 11.968 ( 3.386 2.254 -7.053) 8.142 12.207 ( -3.134 -2.507 -3.713) 5.467 12.207 ( -3.134 2.507 -3.713) 5.467 12.541 ( -0.074 -0.694 -1.587) 1.733 12.541 ( -0.074 0.694 -1.587) 1.733 13.227 ( -1.328 -2.303 -1.990) 3.321 13.227 ( -1.328 2.303 -1.990) 3.321 13.352 ( 1.644 -4.348 -2.317) 5.193 13.352 ( 1.644 4.348 -2.317) 5.193 13.935 ( -0.253 -2.330 2.779) 3.635 13.935 ( -0.253 2.330 2.779) 3.635 14.220 ( 2.648 -6.179 -6.294) 9.208 14.220 ( 2.648 6.179 -6.294) 9.208 15.178 ( 2.127 -3.484 2.953) 5.038 15.178 ( 2.127 3.484 2.953) 5.038 15.568 ( 0.411 -10.397 -0.939) 10.447 15.568 ( 0.411 10.397 -0.939) 10.447 16.200 ( 3.668 -5.230 2.730) 6.947 16.200 ( 3.668 5.230 2.730) 6.947 17.069 ( 1.508 -2.101 13.185) 13.436 17.069 ( 1.508 2.101 13.185) 13.436 17.392 ( -2.795 -1.101 10.923) 11.328 17.392 ( -2.795 1.101 10.923) 11.328 17.921 ( -2.810 -5.052 0.706) 5.824 17.921 ( -2.810 5.052 0.706) 5.824 18.234 ( -3.285 -5.609 -0.154) 6.502 18.234 ( -3.285 5.609 -0.154) 6.502 18.516 ( -2.953 -3.504 -1.832) 4.935 18.516 ( -2.953 3.504 -1.832) 4.935 19.659 ( 1.645 -11.376 2.033) 11.673 19.659 ( 1.645 11.376 2.033) 11.673 23.318 ( 1.906 -1.993 7.676) 8.156 23.318 ( 1.906 1.993 7.676) 8.156 24.258 ( -0.277 -0.567 -4.376) 4.422 24.258 ( -0.277 0.567 -4.376) 4.422 26.715 ( -1.863 -10.700 -1.326) 10.942 26.715 ( -1.863 10.700 -1.326) 10.942 28.965 ( -0.307 -4.846 0.839) 4.928 28.965 ( -0.307 4.846 0.839) 4.928 ======================= Grid point 163 (93/96) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( 1.097 -1.457 -0.540) 1.902 2.202 ( 1.097 1.457 -0.540) 1.902 2.332 ( -2.610 -1.455 3.573) 4.658 2.332 ( -2.610 1.455 3.573) 4.658 2.587 ( -5.921 -2.263 4.230) 7.620 2.587 ( -5.921 2.263 4.230) 7.620 2.733 ( -5.859 -0.744 -3.081) 6.661 2.733 ( -5.859 0.744 -3.081) 6.661 2.966 ( 9.717 -3.840 -0.386) 10.456 2.966 ( 9.717 3.840 -0.386) 10.456 3.074 ( 8.241 -1.710 0.598) 8.438 3.074 ( 8.241 1.710 0.598) 8.438 3.506 ( -9.531 -4.893 2.536) 11.009 3.506 ( -9.531 4.893 2.536) 11.009 3.738 ( -0.009 -5.487 2.781) 6.151 3.738 ( -0.009 5.487 2.781) 6.151 3.937 ( 3.482 -4.540 1.941) 6.042 3.937 ( 3.482 4.540 1.941) 6.042 4.161 ( 6.364 -5.076 3.661) 8.925 4.161 ( 6.364 5.076 3.661) 8.925 4.618 ( 1.225 -0.498 28.230) 28.261 4.618 ( 1.225 0.498 28.230) 28.261 4.994 ( -7.179 -2.571 3.973) 8.599 4.994 ( -7.179 2.571 3.973) 8.599 5.106 ( -0.207 -2.140 -5.638) 6.034 5.106 ( -0.207 2.140 -5.638) 6.034 5.314 ( -1.849 -0.641 -3.235) 3.781 5.314 ( -1.849 0.641 -3.235) 3.781 5.468 ( -0.711 -0.524 0.247) 0.917 5.468 ( -0.711 0.524 0.247) 0.917 5.659 ( 5.059 -2.956 -9.077) 10.804 5.659 ( 5.059 2.956 -9.077) 10.804 6.044 ( -1.397 -2.797 -1.289) 3.382 6.044 ( -1.397 2.797 -1.289) 3.382 6.121 ( -0.639 -2.074 -1.405) 2.585 6.121 ( -0.639 2.074 -1.405) 2.585 6.742 ( -0.024 -1.537 -0.980) 1.823 6.742 ( -0.024 1.537 -0.980) 1.823 6.929 ( -0.012 -1.473 -2.222) 2.666 6.929 ( -0.012 1.473 -2.222) 2.666 7.613 ( 0.618 -4.146 3.406) 5.401 7.613 ( 0.618 4.146 3.406) 5.401 7.835 ( -0.972 -4.013 5.163) 6.611 7.835 ( -0.972 4.013 5.163) 6.611 8.025 ( 0.397 -4.243 -8.269) 9.303 8.025 ( 0.397 4.243 -8.269) 9.303 8.385 ( 1.960 -0.974 -2.459) 3.292 8.385 ( 1.960 0.974 -2.459) 3.292 8.779 ( 1.480 -4.202 1.116) 4.592 8.779 ( 1.480 4.202 1.116) 4.592 9.074 ( 0.741 -7.211 -6.827) 9.958 9.074 ( 0.741 7.211 -6.827) 9.958 9.459 ( 1.601 -2.571 1.003) 3.190 9.459 ( 1.601 2.571 1.003) 3.190 9.649 ( -1.849 -2.248 -1.225) 3.158 9.649 ( -1.849 2.248 -1.225) 3.158 10.113 ( -0.563 -3.929 2.839) 4.880 10.113 ( -0.563 3.929 2.839) 4.880 10.493 ( -1.199 -6.561 1.004) 6.745 10.493 ( -1.199 6.561 1.004) 6.745 10.684 ( 0.642 -6.664 0.683) 6.730 10.684 ( 0.642 6.664 0.683) 6.730 11.247 ( -3.929 -7.722 2.937) 9.148 11.247 ( -3.929 7.722 2.937) 9.148 11.522 ( -2.097 -3.943 10.321) 11.246 11.522 ( -2.097 3.943 10.321) 11.246 11.664 ( 2.859 -5.969 9.848) 11.865 11.664 ( 2.859 5.969 9.848) 11.865 12.021 ( 1.261 -2.725 -9.043) 9.528 12.021 ( 1.261 2.725 -9.043) 9.528 12.187 ( 1.689 -3.075 -1.850) 3.966 12.187 ( 1.689 3.075 -1.850) 3.966 12.553 ( 1.167 -1.530 -2.868) 3.453 12.553 ( 1.167 1.530 -2.868) 3.453 13.190 ( -1.668 -2.850 0.596) 3.355 13.190 ( -1.668 2.850 0.596) 3.355 13.383 ( 0.663 -4.213 -4.206) 5.990 13.383 ( 0.663 4.213 -4.206) 5.990 13.938 ( 0.583 -2.203 2.297) 3.235 13.938 ( 0.583 2.203 2.297) 3.235 14.217 ( -2.791 -5.903 -6.021) 8.881 14.217 ( -2.791 5.903 -6.021) 8.881 15.180 ( -1.729 -3.120 2.773) 4.518 15.180 ( -1.729 3.120 2.773) 4.518 15.539 ( -3.263 -11.285 1.820) 11.887 15.539 ( -3.263 11.285 1.820) 11.887 16.245 ( 0.432 -4.832 -1.900) 5.211 16.245 ( 0.432 4.832 -1.900) 5.211 17.085 ( 0.019 -2.526 12.017) 12.280 17.085 ( 0.019 2.526 12.017) 12.280 17.387 ( 2.219 -1.688 10.809) 11.163 17.387 ( 2.219 1.688 10.809) 11.163 17.901 ( 1.259 -6.144 2.949) 6.930 17.901 ( 1.259 6.144 2.949) 6.930 18.232 ( 2.985 -7.035 -0.099) 7.643 18.232 ( 2.985 7.035 -0.099) 7.643 18.519 ( 3.213 -4.433 -2.236) 5.914 18.519 ( 3.213 4.433 -2.236) 5.914 19.698 ( 2.175 -10.740 -1.641) 11.081 19.698 ( 2.175 10.740 -1.641) 11.081 23.273 ( -6.127 -1.485 11.567) 13.174 23.273 ( -6.127 1.485 11.567) 13.174 24.289 ( 2.976 -1.081 -6.782) 7.485 24.289 ( 2.976 1.081 -6.782) 7.485 26.719 ( 2.275 -10.593 -1.770) 10.978 26.719 ( 2.275 10.593 -1.770) 10.978 28.968 ( 0.662 -4.265 0.484) 4.344 28.968 ( 0.662 4.265 0.484) 4.344 ======================= Grid point 165 (94/96) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.172 ( -3.856 -4.705 0.905) 6.150 2.172 ( -3.856 4.705 0.905) 6.150 2.284 ( -1.576 -3.566 2.297) 4.525 2.284 ( -1.576 3.566 2.297) 4.525 2.494 ( -2.879 -0.802 3.864) 4.885 2.494 ( -2.879 0.802 3.864) 4.885 2.659 ( -0.718 -1.846 -3.806) 4.291 2.659 ( -0.718 1.846 -3.806) 4.291 3.081 ( -3.906 -8.776 -1.919) 9.796 3.081 ( -3.906 8.776 -1.919) 9.796 3.230 ( 6.042 -5.654 2.981) 8.795 3.230 ( 6.042 5.654 2.981) 8.795 3.422 ( 4.334 -7.537 2.948) 9.181 3.422 ( 4.334 7.537 2.948) 9.181 3.699 ( 1.852 -3.447 1.512) 4.195 3.699 ( 1.852 3.447 1.512) 4.195 4.065 ( 5.742 -6.053 4.198) 9.340 4.065 ( 5.742 6.053 4.198) 9.340 4.304 ( 6.146 -6.666 2.696) 9.459 4.304 ( 6.146 6.666 2.696) 9.459 4.650 ( -0.514 -1.822 25.710) 25.780 4.650 ( -0.514 1.822 25.710) 25.780 4.785 ( -8.950 -7.496 15.636) 19.513 4.785 ( -8.950 7.496 15.636) 19.513 5.074 ( -5.029 -4.089 -12.395) 13.987 5.074 ( -5.029 4.089 -12.395) 13.987 5.232 ( -1.109 -1.992 -15.185) 15.355 5.232 ( -1.109 1.992 -15.185) 15.355 5.520 ( 2.694 -2.922 9.477) 10.276 5.520 ( 2.694 2.922 9.477) 10.276 5.764 ( 4.406 -3.796 -9.841) 11.431 5.764 ( 4.406 3.796 -9.841) 11.431 5.985 ( -3.978 -3.224 0.525) 5.147 5.985 ( -3.978 3.224 0.525) 5.147 6.091 ( -2.390 -2.506 -4.060) 5.336 6.091 ( -2.390 2.506 -4.060) 5.336 6.742 ( -0.037 -3.990 -0.466) 4.017 6.742 ( -0.037 3.990 -0.466) 4.017 6.931 ( 0.565 -3.836 -2.443) 4.583 6.931 ( 0.565 3.836 -2.443) 4.583 7.607 ( -1.357 -3.395 3.662) 5.174 7.607 ( -1.357 3.395 3.662) 5.174 7.848 ( 2.300 -5.425 3.932) 7.083 7.848 ( 2.300 5.425 3.932) 7.083 8.029 ( 0.004 -1.986 -6.647) 6.938 8.029 ( 0.004 1.986 -6.647) 6.938 8.425 ( 1.451 -2.328 -4.827) 5.552 8.425 ( 1.451 2.328 -4.827) 5.552 8.836 ( 3.838 -4.293 1.454) 5.939 8.836 ( 3.838 4.293 1.454) 5.939 9.109 ( 2.670 -6.883 -5.614) 9.275 9.109 ( 2.670 6.883 -5.614) 9.275 9.479 ( -0.022 -3.800 -1.433) 4.061 9.479 ( -0.022 3.800 -1.433) 4.061 9.601 ( -2.490 -1.867 -0.496) 3.152 9.601 ( -2.490 1.867 -0.496) 3.152 10.095 ( -1.111 -4.889 1.946) 5.378 10.095 ( -1.111 4.889 1.946) 5.378 10.434 ( -5.176 -4.692 2.619) 7.461 10.434 ( -5.176 4.692 2.619) 7.461 10.712 ( 2.747 -6.361 0.458) 6.944 10.712 ( 2.747 6.361 0.458) 6.944 11.166 ( -3.148 -9.296 2.608) 10.155 11.166 ( -3.148 9.296 2.608) 10.155 11.469 ( -3.007 -3.626 10.049) 11.098 11.469 ( -3.007 3.626 10.049) 11.098 11.729 ( 2.458 -4.350 6.874) 8.498 11.729 ( 2.458 4.350 6.874) 8.498 12.038 ( 1.654 -3.176 -5.598) 6.646 12.038 ( 1.654 3.176 -5.598) 6.646 12.257 ( 4.067 -1.873 -0.302) 4.488 12.257 ( 4.067 1.873 -0.302) 4.488 12.583 ( 1.713 -2.232 -4.786) 5.551 12.583 ( 1.713 2.232 -4.786) 5.551 13.173 ( 0.148 -4.708 -0.640) 4.754 13.173 ( 0.148 4.708 -0.640) 4.754 13.371 ( -1.679 -2.160 -2.116) 3.459 13.371 ( -1.679 2.160 -2.116) 3.459 13.944 ( -0.883 -3.421 3.082) 4.688 13.944 ( -0.883 3.421 3.082) 4.688 14.128 ( -4.773 -3.392 -7.710) 9.681 14.128 ( -4.773 3.392 -7.710) 9.681 15.119 ( -4.160 -5.693 2.902) 7.625 15.119 ( -4.160 5.693 2.902) 7.625 15.449 ( -4.822 -9.164 2.398) 10.629 15.449 ( -4.822 9.164 2.398) 10.629 16.222 ( -2.362 -6.699 -5.164) 8.782 16.222 ( -2.362 6.699 -5.164) 8.782 17.072 ( -1.332 -6.181 12.932) 14.395 17.072 ( -1.332 6.181 12.932) 14.395 17.476 ( 6.207 -1.268 10.389) 12.168 17.476 ( 6.207 1.268 10.389) 12.168 17.969 ( 4.939 -4.413 1.231) 6.737 17.969 ( 4.939 4.413 1.231) 6.737 18.342 ( 7.324 -7.169 1.316) 10.333 18.342 ( 7.324 7.169 1.316) 10.333 18.627 ( 6.727 -6.508 -2.773) 9.762 18.627 ( 6.727 6.508 -2.773) 9.762 19.755 ( 3.878 -9.950 -4.853) 11.730 19.755 ( 3.878 9.950 -4.853) 11.730 23.089 ( -11.519 -2.786 15.180) 19.259 23.089 ( -11.519 2.786 15.180) 19.259 24.362 ( 3.903 -2.230 -8.052) 9.221 24.362 ( 3.903 2.230 -8.052) 9.221 26.801 ( 5.510 -12.201 -1.608) 13.484 26.801 ( 5.510 12.201 -1.608) 13.484 28.990 ( 1.337 -4.110 0.022) 4.323 28.990 ( 1.337 4.110 0.022) 4.323 ======================= Grid point 167 (95/96) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.093 ( -3.254 -7.705 9.433) 12.607 2.093 ( -3.254 7.705 9.433) 12.607 2.270 ( -0.380 -6.763 -5.179) 8.526 2.270 ( -0.380 6.763 -5.179) 8.526 2.433 ( -3.520 -2.303 6.761) 7.963 2.433 ( -3.520 2.303 6.761) 7.963 2.632 ( -2.965 -1.934 -7.318) 8.130 2.632 ( -2.965 1.934 -7.318) 8.130 3.034 ( 1.986 -11.842 -0.436) 12.015 3.034 ( 1.986 11.842 -0.436) 12.015 3.239 ( -0.844 -8.765 0.154) 8.807 3.239 ( -0.844 8.765 0.154) 8.807 3.620 ( 9.977 -6.597 8.497) 14.672 3.620 ( 9.977 6.597 8.497) 14.672 3.808 ( 7.053 -8.137 -1.318) 10.849 3.808 ( 7.053 8.137 -1.318) 10.849 4.104 ( -3.169 -5.895 12.177) 13.895 4.104 ( -3.169 5.895 12.177) 13.895 4.369 ( -0.206 -6.763 -3.072) 7.431 4.369 ( -0.206 6.763 -3.072) 7.431 4.560 ( -1.921 -3.451 21.370) 21.732 4.560 ( -1.921 3.451 21.370) 21.732 4.758 ( 2.099 -2.854 16.150) 16.534 4.758 ( 2.099 2.854 16.150) 16.534 4.987 ( -1.473 -5.420 -10.404) 11.823 4.987 ( -1.473 5.420 -10.404) 11.823 5.242 ( 0.770 -1.969 -13.233) 13.401 5.242 ( 0.770 1.969 -13.233) 13.401 5.542 ( -0.943 -2.495 7.401) 7.866 5.542 ( -0.943 2.495 7.401) 7.866 5.785 ( -3.722 -1.748 -7.212) 8.301 5.785 ( -3.722 1.748 -7.212) 8.301 5.926 ( -0.920 -2.211 -2.249) 3.285 5.926 ( -0.920 2.211 -2.249) 3.285 6.036 ( -1.954 -2.748 -4.474) 5.603 6.036 ( -1.954 2.748 -4.474) 5.603 6.738 ( -0.411 -5.153 0.042) 5.169 6.738 ( -0.411 5.153 0.042) 5.169 6.959 ( 2.165 -5.521 -2.080) 6.285 6.959 ( 2.165 5.521 -2.080) 6.285 7.573 ( -1.464 -1.389 3.859) 4.354 7.573 ( -1.464 1.389 3.859) 4.354 7.908 ( 2.669 -6.590 4.458) 8.392 7.908 ( 2.669 6.590 4.458) 8.392 8.026 ( 0.041 -2.511 -7.067) 7.500 8.026 ( 0.041 2.511 -7.067) 7.500 8.428 ( -1.295 -5.261 -6.185) 8.223 8.428 ( -1.295 5.261 -6.185) 8.223 8.914 ( 3.270 -4.138 0.892) 5.349 8.914 ( 3.270 4.138 0.892) 5.349 9.177 ( 3.922 -6.049 -4.195) 8.341 9.177 ( 3.922 6.049 -4.195) 8.341 9.439 ( -4.144 -2.905 -2.305) 5.561 9.439 ( -4.144 2.905 -2.305) 5.561 9.562 ( -1.077 -1.282 0.000) 1.674 9.562 ( -1.077 1.282 0.000) 1.674 10.065 ( -2.111 -5.401 -1.119) 5.906 10.065 ( -2.111 5.401 -1.119) 5.906 10.317 ( -4.981 -3.137 1.783) 6.151 10.317 ( -4.981 3.137 1.783) 6.151 10.779 ( 3.223 -5.414 4.015) 7.472 10.779 ( 3.223 5.414 4.015) 7.472 11.140 ( 0.505 -6.661 -0.431) 6.694 11.140 ( 0.505 6.661 -0.431) 6.694 11.414 ( -1.847 -3.297 8.939) 9.705 11.414 ( -1.847 3.297 8.939) 9.705 11.736 ( -1.852 -2.748 3.528) 4.840 11.736 ( -1.852 2.748 3.528) 4.840 12.104 ( 3.737 -2.403 -0.723) 4.501 12.104 ( 3.737 2.403 -0.723) 4.501 12.323 ( 2.904 -2.481 3.911) 5.467 12.323 ( 2.904 2.481 3.911) 5.467 12.627 ( 2.583 -1.837 -6.849) 7.547 12.627 ( 2.583 1.837 -6.849) 7.547 13.175 ( -1.287 -3.448 -4.358) 5.704 13.175 ( -1.287 3.448 -4.358) 5.704 13.347 ( 0.696 -4.266 1.102) 4.460 13.347 ( 0.696 4.266 1.102) 4.460 13.874 ( -5.070 -1.725 0.658) 5.395 13.874 ( -5.070 1.725 0.658) 5.395 14.068 ( -1.329 -1.676 -5.986) 6.357 14.068 ( -1.329 1.676 -5.986) 6.357 15.017 ( -5.510 -3.998 2.106) 7.126 15.017 ( -5.510 3.998 2.106) 7.126 15.379 ( -1.424 -7.515 3.149) 8.272 15.379 ( -1.424 7.515 3.149) 8.272 16.162 ( -3.281 -8.816 -5.894) 11.101 16.162 ( -3.281 8.816 -5.894) 11.101 17.029 ( -2.912 -7.727 14.954) 17.082 17.029 ( -2.912 7.727 14.954) 17.082 17.621 ( 7.339 -1.087 6.031) 9.561 17.621 ( 7.339 1.087 6.031) 9.561 18.082 ( 5.719 -4.303 2.136) 7.468 18.082 ( 5.719 4.303 2.136) 7.468 18.509 ( 8.621 -5.884 2.012) 10.630 18.509 ( 8.621 5.884 2.012) 10.630 18.762 ( 5.900 -7.951 -4.828) 11.015 18.762 ( 5.900 7.951 -4.828) 11.015 19.869 ( 7.349 -8.846 -7.266) 13.604 19.869 ( 7.349 8.846 -7.266) 13.604 22.828 ( -13.520 -7.260 19.075) 24.482 22.828 ( -13.520 7.260 19.075) 24.482 24.440 ( 3.608 -3.890 -7.725) 9.372 24.440 ( 3.608 3.890 -7.725) 9.372 26.927 ( 6.405 -15.376 -1.133) 16.695 26.927 ( 6.405 15.376 -1.133) 16.695 29.018 ( 1.283 -4.278 -0.653) 4.514 29.018 ( 1.283 4.278 -0.653) 4.514 ======================= Grid point 169 (96/96) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 4.65e-08 4.65e-08 4.65e-08 4.65e-08 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 1.84e-05 1.84e-05 1.84e-05 1.84e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( -3.080 -5.999 11.895) 13.674 2.034 ( -3.080 5.999 11.895) 13.674 2.232 ( -2.425 -1.385 0.753) 2.892 2.232 ( -2.425 1.385 0.753) 2.892 2.389 ( -1.065 -4.019 4.386) 6.043 2.389 ( -1.065 4.019 4.386) 6.043 2.590 ( 0.246 -2.429 -11.743) 11.994 2.590 ( 0.246 2.429 -11.743) 11.994 3.098 ( 2.480 -9.946 0.108) 10.251 3.098 ( 2.480 9.946 0.108) 10.251 3.248 ( 0.602 -3.062 0.767) 3.214 3.248 ( 0.602 3.062 0.767) 3.214 3.730 ( 1.868 -6.942 12.844) 14.719 3.730 ( 1.868 6.942 12.844) 14.719 3.924 ( -0.653 -11.945 12.827) 17.539 3.924 ( -0.653 11.945 12.827) 17.539 4.069 ( 6.254 -8.420 4.761) 11.518 4.069 ( 6.254 8.420 4.761) 11.518 4.309 ( -3.817 -2.480 -10.198) 11.168 4.309 ( -3.817 2.480 -10.198) 11.168 4.613 ( 3.900 -1.886 16.194) 16.763 4.613 ( 3.900 1.886 16.194) 16.763 4.783 ( -0.441 -1.582 13.174) 13.276 4.783 ( -0.441 1.582 13.174) 13.276 5.023 ( 4.461 -2.046 -5.496) 7.368 5.023 ( 4.461 2.046 -5.496) 7.368 5.257 ( 0.973 -1.747 -7.474) 7.737 5.257 ( 0.973 1.747 -7.474) 7.737 5.484 ( -3.931 -1.000 2.090) 4.563 5.484 ( -3.931 1.000 2.090) 4.563 5.652 ( -7.917 -0.901 -5.853) 9.887 5.652 ( -7.917 0.901 -5.853) 9.887 5.902 ( -1.380 -4.654 -4.090) 6.348 5.902 ( -1.380 4.654 -4.090) 6.348 6.044 ( 1.802 -5.853 -3.699) 7.155 6.044 ( 1.802 5.853 -3.699) 7.155 6.729 ( -0.308 -5.557 0.650) 5.603 6.729 ( -0.308 5.557 0.650) 5.603 7.007 ( 2.143 -6.382 -1.890) 6.993 7.007 ( 2.143 6.382 -1.890) 6.993 7.562 ( 0.292 -1.902 3.442) 3.943 7.562 ( 0.292 1.902 3.442) 3.943 7.924 ( -1.075 -4.601 8.326) 9.573 7.924 ( -1.075 4.601 8.326) 9.573 8.055 ( 2.951 -3.154 -9.446) 10.387 8.055 ( 2.951 3.154 -9.446) 10.387 8.375 ( -3.497 -7.322 -7.778) 11.240 8.375 ( -3.497 7.322 -7.778) 11.240 8.965 ( 1.967 -4.151 0.858) 4.673 8.965 ( 1.967 4.151 0.858) 4.673 9.240 ( 0.646 -4.328 -2.371) 4.977 9.240 ( 0.646 4.328 -2.371) 4.977 9.333 ( -4.276 -3.817 -2.522) 6.262 9.333 ( -4.276 3.817 -2.522) 6.262 9.558 ( 0.554 -2.705 -1.808) 3.300 9.558 ( 0.554 2.705 -1.808) 3.300 10.007 ( -3.146 -3.192 -2.812) 5.291 10.007 ( -3.146 3.192 -2.812) 5.291 10.262 ( -0.624 -4.207 0.777) 4.323 10.262 ( -0.624 4.207 0.777) 4.323 10.844 ( 3.257 -3.821 4.657) 6.848 10.844 ( 3.257 3.821 4.657) 6.848 11.156 ( 0.520 -5.445 -1.243) 5.609 11.156 ( 0.520 5.445 -1.243) 5.609 11.407 ( 0.428 -3.814 7.451) 8.381 11.407 ( 0.428 3.814 7.451) 8.381 11.677 ( -2.756 -2.903 2.884) 4.933 11.677 ( -2.756 2.903 2.884) 4.933 12.134 ( -0.874 -4.227 1.089) 4.452 12.134 ( -0.874 4.227 1.089) 4.452 12.400 ( 3.481 -3.260 4.362) 6.463 12.400 ( 3.481 3.260 4.362) 6.463 12.693 ( 4.680 -2.108 -4.584) 6.882 12.693 ( 4.680 2.108 -4.584) 6.882 13.108 ( -4.335 -5.098 -1.069) 6.777 13.108 ( -4.335 5.098 -1.069) 6.777 13.383 ( 0.868 -1.796 -4.283) 4.724 13.383 ( 0.868 1.796 -4.283) 4.724 13.805 ( -0.744 -1.160 -1.994) 2.424 13.805 ( -0.744 1.160 -1.994) 2.424 14.044 ( -1.253 -2.411 -2.227) 3.513 14.044 ( -1.253 2.411 -2.227) 3.513 14.913 ( -4.258 -3.284 2.052) 5.755 14.913 ( -4.258 3.284 2.052) 5.755 15.389 ( 1.941 -5.457 2.642) 6.366 15.389 ( 1.941 5.457 2.642) 6.366 16.094 ( -3.227 -8.269 -4.570) 9.984 16.094 ( -3.227 8.269 -4.570) 9.984 16.965 ( -3.107 -7.034 16.599) 18.294 16.965 ( -3.107 7.034 16.599) 18.294 17.748 ( 4.659 -1.054 -0.301) 4.786 17.748 ( 4.659 1.054 -0.301) 4.786 18.183 ( 3.864 -5.650 7.159) 9.905 18.183 ( 3.864 5.650 7.159) 9.905 18.672 ( 6.731 -4.185 -0.324) 7.933 18.672 ( 6.731 4.185 -0.324) 7.933 18.850 ( 2.617 -6.862 -6.716) 9.952 18.850 ( 2.617 6.862 -6.716) 9.952 20.023 ( 6.161 -7.226 -7.813) 12.297 20.023 ( 6.161 7.226 -7.813) 12.297 22.585 ( -8.955 -12.336 22.374) 27.074 22.585 ( -8.955 12.336 22.374) 27.074 24.501 ( 2.243 -5.985 -6.861) 9.377 24.501 ( 2.243 5.986 -6.861) 9.377 27.042 ( 4.365 -19.115 -0.771) 19.623 27.042 ( 4.365 19.115 -0.771) 19.623 29.037 ( 0.489 -3.536 -1.166) 3.755 29.037 ( 0.489 3.536 -1.166) 3.755 =================== 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 3/27216 10.0 1793.508 1437.425 2007.563 0.000 -186.485 0.000 3/27216 20.0 286.547 223.960 401.990 0.000 -28.716 0.000 3/27216 30.0 105.613 82.290 158.545 0.000 -9.840 0.000 3/27216 40.0 56.191 44.259 88.083 0.000 -4.900 0.000 3/27216 50.0 36.340 28.952 59.013 0.000 -2.980 0.000 3/27216 60.0 26.210 21.093 43.732 0.000 -2.043 0.000 3/27216 70.0 20.197 16.391 34.386 0.000 -1.514 0.000 3/27216 80.0 16.262 13.288 28.111 0.000 -1.184 0.000 3/27216 90.0 13.511 11.102 23.634 0.000 -0.963 0.000 3/27216 100.0 11.496 9.491 20.303 0.000 -0.806 0.000 3/27216 110.0 9.967 8.262 17.744 0.000 -0.691 0.000 3/27216 120.0 8.775 7.298 15.728 0.000 -0.603 0.000 3/27216 130.0 7.824 6.526 14.105 0.000 -0.533 0.000 3/27216 140.0 7.050 5.895 12.776 0.000 -0.478 0.000 3/27216 150.0 6.412 5.373 11.670 0.000 -0.432 0.000 3/27216 160.0 5.877 4.934 10.739 0.000 -0.394 0.000 3/27216 170.0 5.424 4.560 9.944 0.000 -0.362 0.000 3/27216 180.0 5.035 4.239 9.259 0.000 -0.335 0.000 3/27216 190.0 4.699 3.960 8.663 0.000 -0.311 0.000 3/27216 200.0 4.405 3.716 8.140 0.000 -0.291 0.000 3/27216 210.0 4.147 3.500 7.677 0.000 -0.273 0.000 3/27216 220.0 3.918 3.309 7.266 0.000 -0.257 0.000 3/27216 230.0 3.713 3.138 6.897 0.000 -0.242 0.000 3/27216 240.0 3.530 2.985 6.565 0.000 -0.230 0.000 3/27216 250.0 3.364 2.846 6.264 0.000 -0.218 0.000 3/27216 260.0 3.214 2.720 5.990 0.000 -0.208 0.000 3/27216 270.0 3.078 2.605 5.740 0.000 -0.198 0.000 3/27216 280.0 2.952 2.499 5.511 0.000 -0.189 0.000 3/27216 290.0 2.837 2.402 5.300 0.000 -0.181 0.000 3/27216 300.0 2.731 2.313 5.104 0.000 -0.174 0.000 3/27216 310.0 2.633 2.230 4.923 0.000 -0.167 0.000 3/27216 320.0 2.543 2.153 4.755 0.000 -0.161 0.000 3/27216 330.0 2.458 2.082 4.599 0.000 -0.155 0.000 3/27216 340.0 2.379 2.015 4.452 0.000 -0.150 0.000 3/27216 350.0 2.305 1.953 4.315 0.000 -0.145 0.000 3/27216 360.0 2.236 1.894 4.186 0.000 -0.140 0.000 3/27216 370.0 2.171 1.839 4.065 0.000 -0.136 0.000 3/27216 380.0 2.110 1.787 3.951 0.000 -0.132 0.000 3/27216 390.0 2.052 1.738 3.843 0.000 -0.128 0.000 3/27216 400.0 1.997 1.692 3.742 0.000 -0.124 0.000 3/27216 410.0 1.946 1.648 3.645 0.000 -0.121 0.000 3/27216 420.0 1.897 1.607 3.554 0.000 -0.117 0.000 3/27216 430.0 1.850 1.568 3.467 0.000 -0.114 0.000 3/27216 440.0 1.806 1.530 3.384 0.000 -0.111 0.000 3/27216 450.0 1.764 1.495 3.305 0.000 -0.109 0.000 3/27216 460.0 1.724 1.461 3.230 0.000 -0.106 0.000 3/27216 470.0 1.685 1.428 3.158 0.000 -0.103 0.000 3/27216 480.0 1.649 1.397 3.090 0.000 -0.101 0.000 3/27216 490.0 1.614 1.368 3.024 0.000 -0.099 0.000 3/27216 500.0 1.580 1.339 2.962 0.000 -0.097 0.000 3/27216 510.0 1.548 1.312 2.901 0.000 -0.094 0.000 3/27216 520.0 1.517 1.286 2.844 0.000 -0.092 0.000 3/27216 530.0 1.488 1.261 2.788 0.000 -0.091 0.000 3/27216 540.0 1.459 1.237 2.735 0.000 -0.089 0.000 3/27216 550.0 1.432 1.214 2.684 0.000 -0.087 0.000 3/27216 560.0 1.406 1.191 2.634 0.000 -0.085 0.000 3/27216 570.0 1.380 1.170 2.587 0.000 -0.084 0.000 3/27216 580.0 1.356 1.149 2.541 0.000 -0.082 0.000 3/27216 590.0 1.332 1.129 2.497 0.000 -0.081 0.000 3/27216 600.0 1.310 1.110 2.454 0.000 -0.079 0.000 3/27216 610.0 1.288 1.091 2.413 0.000 -0.078 0.000 3/27216 620.0 1.266 1.073 2.373 0.000 -0.076 0.000 3/27216 630.0 1.246 1.056 2.334 0.000 -0.075 0.000 3/27216 640.0 1.226 1.039 2.297 0.000 -0.074 0.000 3/27216 650.0 1.207 1.023 2.261 0.000 -0.073 0.000 3/27216 660.0 1.188 1.007 2.226 0.000 -0.071 0.000 3/27216 670.0 1.170 0.991 2.192 0.000 -0.070 0.000 3/27216 680.0 1.152 0.977 2.159 0.000 -0.069 0.000 3/27216 690.0 1.135 0.962 2.127 0.000 -0.068 0.000 3/27216 700.0 1.119 0.948 2.096 0.000 -0.067 0.000 3/27216 710.0 1.103 0.935 2.066 0.000 -0.066 0.000 3/27216 720.0 1.087 0.921 2.037 0.000 -0.065 0.000 3/27216 730.0 1.072 0.909 2.008 0.000 -0.064 0.000 3/27216 740.0 1.057 0.896 1.981 0.000 -0.063 0.000 3/27216 750.0 1.043 0.884 1.954 0.000 -0.062 0.000 3/27216 760.0 1.029 0.872 1.928 0.000 -0.061 0.000 3/27216 770.0 1.016 0.861 1.902 0.000 -0.061 0.000 3/27216 780.0 1.002 0.850 1.878 0.000 -0.060 0.000 3/27216 790.0 0.990 0.839 1.854 0.000 -0.059 0.000 3/27216 800.0 0.977 0.828 1.830 0.000 -0.058 0.000 3/27216 810.0 0.965 0.818 1.807 0.000 -0.057 0.000 3/27216 820.0 0.953 0.808 1.785 0.000 -0.057 0.000 3/27216 830.0 0.941 0.798 1.763 0.000 -0.056 0.000 3/27216 840.0 0.930 0.788 1.742 0.000 -0.055 0.000 3/27216 850.0 0.919 0.779 1.721 0.000 -0.055 0.000 3/27216 860.0 0.908 0.770 1.701 0.000 -0.054 0.000 3/27216 870.0 0.898 0.761 1.681 0.000 -0.053 0.000 3/27216 880.0 0.887 0.752 1.662 0.000 -0.053 0.000 3/27216 890.0 0.877 0.743 1.643 0.000 -0.052 0.000 3/27216 900.0 0.867 0.735 1.624 0.000 -0.051 0.000 3/27216 910.0 0.858 0.727 1.606 0.000 -0.051 0.000 3/27216 920.0 0.848 0.719 1.589 0.000 -0.050 0.000 3/27216 930.0 0.839 0.711 1.571 0.000 -0.050 0.000 3/27216 940.0 0.830 0.704 1.554 0.000 -0.049 0.000 3/27216 950.0 0.821 0.696 1.538 0.000 -0.049 0.000 3/27216 960.0 0.813 0.689 1.522 0.000 -0.048 0.000 3/27216 970.0 0.804 0.682 1.506 0.000 -0.048 0.000 3/27216 980.0 0.796 0.675 1.490 0.000 -0.047 0.000 3/27216 990.0 0.788 0.668 1.475 0.000 -0.047 0.000 3/27216 1000.0 0.780 0.661 1.460 0.000 -0.046 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m947.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:45:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|