optical spectra(BN)51 structure opt. from job 1377/1372 inital MBJLDA
1.0
12.60271647 0.00000000 0.00000000
0.00000000 12.60271647 0.00000000
0.00000000 0.00000000 12.60271647
N B
102 102
Direct
0.06984579 0.43031045 0.10590993 # 1 N1
0.24128426 0.54481990 0.12750517 # 2 N2
0.09176132 0.63459334 0.10230434 # 3 N3
0.92294643 0.63492061 0.98964895 # 4 N1
0.98651200 0.51570694 0.78042627 # 5 N2
0.09435794 0.65945548 0.89345838 # 6 N3
0.85349136 0.74946518 0.81597860 # 7 N1
0.92148712 0.84247221 0.66287533 # 8 N2
0.69823466 0.76554613 0.68657656 # 9 N3
0.94459208 0.44927104 0.27438802 # 10 N1
0.85859756 0.40080057 0.44461353 # 11 N2
0.05626341 0.40237765 0.45776022 # 12 N3
0.62642904 0.98649326 0.95108395 # 13 N1
0.69103640 0.80655995 0.01862192 # 14 N2
0.80064746 0.98838744 0.02668447 # 15 N3
0.21812620 0.92501501 0.27062599 # 16 N1
0.24017288 0.72873842 0.22265914 # 17 N2
0.34470482 0.86258425 0.13341209 # 18 N3
0.12280486 0.56409893 0.54586315 # 19 N1
0.23248616 0.40269002 0.56556589 # 20 N2
0.29038819 0.59668214 0.63469587 # 21 N3
0.46470839 0.65906039 0.74053506 # 22 N1
0.54816079 0.49635631 0.83373869 # 23 N2
0.47681329 0.65943585 0.93266409 # 24 N3
0.29052816 0.51093667 0.37620032 # 25 N1
0.41179750 0.65365352 0.44397496 # 26 N2
0.41434324 0.46898376 0.54374282 # 27 N3
0.99552435 0.24329363 0.97186082 # 28 N1
0.19224409 0.18160272 0.19887309 # 29 N2
0.13604482 0.33961452 0.08199138 # 30 N3
0.70274816 0.25635770 0.41979393 # 31 N1
0.75646744 0.27520642 0.61618569 # 32 N2
0.85940800 0.15207443 0.49102864 # 33 N3
0.59333505 0.63445624 0.37899104 # 34 N1
0.72434686 0.67028961 0.51409162 # 35 N2
0.55382832 0.77276631 0.53150088 # 36 N3
0.81141938 0.59035253 0.68668014 # 37 N1
0.57423088 0.55660346 0.46588780 # 38 N2
0.61993373 0.55562471 0.65803387 # 39 N3
0.58691714 0.13872828 0.79829926 # 40 N1
0.70520715 0.17267636 0.96384616 # 41 N2
0.50807064 0.22251573 0.96212600 # 42 N3
0.58611248 0.80491258 0.22725837 # 43 N1
0.82211860 0.86100255 0.17109676 # 44 N2
0.55827700 0.97692004 0.20512471 # 45 N3
0.66773273 0.95630457 0.72396742 # 46 N1
0.57537360 0.81477234 0.84162555 # 47 N2
0.33714859 0.98346558 0.74839287 # 48 N3
0.16121099 0.00547534 0.89496018 # 49 N1
0.18609919 0.17791364 0.98881647 # 50 N2
0.22312185 0.00944774 0.08762981 # 51 N3
0.77634262 0.24155451 0.81054167 # 52 N1
0.71948694 0.42061882 0.76037256 # 53 N2
0.67118515 0.35306613 0.93660141 # 54 N3
0.91298306 0.44334615 0.60757975 # 55 N1
0.95252011 0.66783455 0.57505267 # 56 N2
0.00790254 0.58609743 0.39669162 # 57 N3
0.43963805 0.04617701 0.90630231 # 58 N1
0.50297875 0.88298853 0.02750789 # 59 N2
0.31812627 0.90448502 0.94443420 # 60 N3
0.98248471 0.85746697 0.47581185 # 61 N1
0.17981221 0.75604228 0.53452015 # 62 N2
0.10018881 0.80183477 0.35517932 # 63 N3
0.87677120 0.95727074 0.82411735 # 64 N1
0.02056132 0.08528097 0.77195924 # 65 N2
0.97795351 0.04260809 0.96352585 # 66 N3
0.64631375 0.13565391 0.27783656 # 67 N1
0.53067282 0.91632829 0.40124851 # 68 N2
0.76766475 0.97219861 0.33072792 # 69 N3
0.28558419 0.08436207 0.58551664 # 70 N1
0.21054416 0.14440948 0.77000314 # 71 N2
0.10385547 0.15772879 0.59689134 # 72 N3
0.57797138 0.34170141 0.55160517 # 73 N1
0.38532138 0.28085836 0.52917600 # 74 N2
0.43602750 0.26917182 0.34220634 # 75 N3
0.88716323 0.55122637 0.26196008 # 76 N1
0.75700713 0.68281042 0.20307012 # 77 N2
0.91207540 0.74516098 0.31047393 # 78 N3
0.60466074 0.32569866 0.24636287 # 79 N1
0.49549864 0.17018313 0.16363226 # 80 N2
0.46515776 0.34404774 0.13004364 # 81 N3
0.32974373 0.48978842 0.18018760 # 82 N1
0.44044761 0.50822335 0.01859497 # 83 N2
0.41541979 0.67130550 0.14434775 # 84 N3
0.39988503 0.37593628 0.34507855 # 85 N1
0.21622069 0.34310585 0.27357847 # 86 N2
0.22007833 0.22110559 0.43864590 # 87 N3
0.09929094 0.75412171 0.71349815 # 88 N1
0.27463378 0.73202784 0.79897442 # 89 N2
0.29506339 0.79014479 0.69372098 # 90 N3
0.84484780 0.07788621 0.65905337 # 91 N1
0.64197473 0.08301194 0.60523001 # 92 N2
0.80038401 0.94849111 0.53161804 # 93 N3
0.90161149 0.33084556 0.11925081 # 94 N1
0.86949804 0.25953092 0.30150952 # 95 N2
0.89535385 0.14145961 0.11901905 # 96 N3
0.61490871 0.97199844 0.45535085 # 97 N1
0.41240085 0.92624404 0.57313529 # 98 N2
0.46725147 0.10448176 0.48664968 # 99 N3
0.77026756 0.51188656 0.10304429 # 100 N1
0.60256548 0.61114001 0.07510862 # 101 N2
0.75143399 0.63462952 0.94680525 # 102 N3
0.13091733 0.52330987 0.10974800 # 103 B1
0.19610212 0.64981710 0.15504287 # 104 B2
0.97262901 0.40595950 0.16110825 # 105 B3
0.84994439 0.68518525 0.91146369 # 106 B1
0.03512176 0.58563755 0.83668437 # 107 B2
0.03895593 0.64958554 0.00123815 # 108 B3
0.99087903 0.74629591 0.65496869 # 109 B1
0.88252421 0.85545856 0.77320924 # 110 B2
0.78506019 0.70285837 0.73120690 # 111 B3
0.87763272 0.36499655 0.33767430 # 112 B1
0.95562498 0.39125865 0.51291730 # 113 B2
0.01988127 0.47536928 0.37501362 # 114 B3
0.61025592 0.86290328 0.94901645 # 115 B1
0.76731538 0.87311638 0.06907668 # 116 B2
0.70698211 0.05433197 0.98141119 # 117 B3
0.18873528 0.82012961 0.28061924 # 118 B1
0.34155812 0.75563846 0.16774699 # 119 B2
0.26208852 0.93737312 0.17025156 # 120 B3
0.13796032 0.45283631 0.52642247 # 121 B1
0.30804043 0.48775177 0.59584844 # 122 B2
0.20295818 0.63894555 0.57016606 # 123 B3
0.53604170 0.56538317 0.73875911 # 124 B1
0.48227438 0.54323456 0.91992907 # 125 B2
0.50633646 0.71878093 0.84168714 # 126 B3
0.35810121 0.60067678 0.35380903 # 127 B1
0.46218393 0.56057216 0.49250581 # 128 B2
0.36662250 0.44109425 0.42941322 # 129 B3
0.96194612 0.14198601 0.01990678 # 130 B1
0.18450513 0.29347560 0.17708714 # 131 B2
0.10573789 0.26031209 0.00525232 # 132 B3
0.67520597 0.29652565 0.52578126 # 133 B1
0.82428552 0.18788620 0.59491192 # 134 B2
0.80456458 0.18827358 0.38764057 # 135 B3
0.68592301 0.69545249 0.39882970 # 136 B1
0.65504435 0.74847858 0.58191546 # 137 B2
0.51719641 0.70205667 0.44311247 # 138 B3
0.83379782 0.61868496 0.56040135 # 139 B1
0.64155277 0.58368523 0.55115900 # 140 B2
0.71772091 0.51669089 0.70067918 # 141 B3
0.68857487 0.17833111 0.83891618 # 142 B1
0.61730028 0.25997424 0.96487057 # 143 B2
0.50483455 0.13981587 0.88133902 # 144 B3
0.66944667 0.73619795 0.26467286 # 145 B1
0.80962446 0.96067758 0.22853330 # 146 B2
0.55079647 0.88318507 0.14047936 # 147 B3
0.64431651 0.84944293 0.75386475 # 148 B1
0.35460284 0.89770547 0.67348458 # 149 B2
0.61369977 0.06155620 0.71538642 # 150 B3
0.19470079 0.12042014 0.88499871 # 151 B1
0.19821044 0.12018424 0.10080762 # 152 B2
0.22526540 0.96653557 0.98200517 # 153 B3
0.75366885 0.31489850 0.72376862 # 154 B1
0.64042814 0.42495751 0.84808524 # 155 B2
0.78004194 0.28371621 0.92797325 # 156 B3
0.91575714 0.51442049 0.69709813 # 157 B1
0.02749251 0.61237495 0.50727501 # 158 B2
0.84720115 0.48617076 0.51991981 # 159 B3
0.51428838 0.98716771 0.96676325 # 160 B1
0.38563726 0.87383759 0.02934544 # 161 B2
0.36060652 0.97477393 0.86081247 # 162 B3
0.90427530 0.87883248 0.55574132 # 163 B1
0.09991048 0.80539361 0.46713576 # 164 B2
0.98842607 0.81302813 0.36795802 # 165 B3
0.91723251 0.04687128 0.74926062 # 166 B1
0.05513078 0.03963467 0.87413580 # 167 B2
0.88506939 0.98763279 0.93701609 # 168 B3
0.56414871 0.09178305 0.21085485 # 169 B1
0.55772581 0.89906361 0.29192295 # 170 B2
0.74010384 0.09115831 0.32310573 # 171 B3
0.27958339 0.07613592 0.70180083 # 172 B1
0.10730303 0.13712745 0.70495174 # 173 B2
0.19613041 0.14867519 0.53596276 # 174 B3
0.47247597 0.35659797 0.55302338 # 175 B1
0.43433096 0.21275437 0.44717319 # 176 B2
0.65096978 0.24979305 0.31874717 # 177 B3
0.80037578 0.57478155 0.19382775 # 178 B1
0.83543441 0.76370634 0.22923224 # 179 B2
0.93477982 0.63388627 0.32506830 # 180 B3
0.49169377 0.27026509 0.23415316 # 181 B1
0.47911591 0.23599398 0.07427554 # 182 B2
0.58583389 0.39742693 0.16519193 # 183 B3
0.40816845 0.44113590 0.09958405 # 184 B1
0.48054515 0.62684553 0.05173457 # 185 B2
0.38397250 0.59734633 0.22327754 # 186 B3
0.29850824 0.42550296 0.28624992 # 187 B1
0.21375880 0.23700909 0.32558365 # 188 B2
0.27515185 0.30338041 0.51221311 # 189 B3
0.15829605 0.71797160 0.80906573 # 190 B1
0.34982683 0.66985238 0.71233711 # 191 B2
0.18711276 0.78144586 0.64452061 # 192 B3
0.73259784 0.00369206 0.63324285 # 193 B1
0.72886871 0.94931907 0.43444402 # 194 B2
0.86001901 0.05398980 0.54194600 # 195 B3
0.88689888 0.23996679 0.18840857 # 196 B1
0.83718946 0.04672027 0.13089037 # 197 B2
0.89830849 0.29915647 0.00514859 # 198 B3
0.49255390 0.87257481 0.50823097 # 199 B1
0.38591067 0.04275019 0.54277521 # 200 B2
0.57539345 0.06483396 0.51446969 # 201 B3
0.64770787 0.51160801 0.10607606 # 202 B1
0.67745496 0.68498979 0.02050166 # 203 B2
0.81890351 0.57710377 0.02181096 # 204 B3