Optical Spectra, GW, quasiparticle shifts : LKU24 from job 1323 (std 40*core) 1.0 17.69000000 0.00000000 0.00000000 0.00000000 17.69000000 0.00000000 0.00000000 0.00000000 17.69000000 Si O C H 69 88 59 184 Direct 0.05144761 0.04003943 0.98961497 # 1 Si1 0.22868692 0.06210408 0.43099628 # 2 Si2 0.06938356 0.17382349 0.09685233 # 3 Si3 0.31467723 0.16358088 0.29944757 # 4 Si4 0.04254977 0.13406054 0.46069912 # 5 Si5 0.22809708 0.07188812 0.91481477 # 6 Si6 0.02636332 0.31187801 0.50394065 # 7 Si7 0.24599168 0.21111066 0.79011015 # 8 Si8 0.10014058 0.40161345 0.96875545 # 9 Si9 0.23747972 0.29692918 0.37355824 # 10 Si10 0.08653710 0.56348921 0.04474306 # 11 Si11 0.26311324 0.54663908 0.09922989 # 12 Si12 0.13451519 0.42911756 0.38454439 # 13 Si13 0.26818325 0.37010003 0.90289471 # 14 Si14 0.26256328 0.54426359 0.82158138 # 15 Si15 0.06254136 0.72728294 0.97903178 # 16 Si16 0.18506006 0.80504008 0.44193504 # 17 Si17 0.04953424 0.89224744 0.10563644 # 18 Si18 0.22632640 0.85353604 0.09986507 # 19 Si19 0.02450504 0.74298737 0.49123723 # 20 Si20 0.22371270 0.71052611 0.88153875 # 21 Si21 0.03593733 0.85265570 0.64041600 # 22 Si22 0.23228476 0.80291667 0.70388549 # 23 Si23 0.41508298 0.06258357 0.02099924 # 24 Si24 0.55314985 0.07767446 0.43126177 # 25 Si25 0.41855076 0.19760048 0.14523589 # 26 Si26 0.55220185 0.16668422 0.27141084 # 27 Si27 0.37822369 0.03383656 0.54585081 # 28 Si28 0.57863743 0.05900889 0.92443675 # 29 Si29 0.35928991 0.18782372 0.64757607 # 30 Si30 0.57841045 0.20691458 0.82786964 # 31 Si31 0.42061450 0.34134536 0.02097332 # 32 Si32 0.48957522 0.38758973 0.47940167 # 33 Si33 0.61216352 0.56929189 0.23926001 # 34 Si34 0.34955063 0.28615280 0.50597290 # 35 Si35 0.56313713 0.37566828 0.90042279 # 36 Si36 0.41311787 0.50781722 0.72769755 # 37 Si37 0.58047999 0.52682383 0.78540463 # 38 Si38 0.38906831 0.73200646 0.97069255 # 39 Si39 0.51292501 0.44227338 0.30911650 # 40 Si40 0.39598091 0.88815548 0.07743167 # 41 Si41 0.55723110 0.83699301 0.11137602 # 42 Si42 0.57891605 0.69950204 0.89035574 # 43 Si43 0.39597320 0.86825907 0.63710392 # 44 Si44 0.55762293 0.79843134 0.70998123 # 45 Si45 0.74899959 0.01980361 0.99341609 # 46 Si46 0.87488311 0.07452344 0.47855941 # 47 Si47 0.82314706 0.26561105 0.08895209 # 48 Si48 0.96232420 0.29210305 0.18036815 # 49 Si49 0.71582054 0.15588395 0.53396826 # 50 Si50 0.89703128 0.01264484 0.88535064 # 51 Si51 0.69477030 0.13744055 0.71296864 # 52 Si52 0.86013505 0.15719354 0.78775176 # 53 Si53 0.69827650 0.31261218 0.98569902 # 54 Si54 0.98366876 0.42667399 0.28220413 # 55 Si55 0.76182685 0.57850599 0.13309034 # 56 Si56 0.90776279 0.59111034 0.25022223 # 57 Si57 0.83651088 0.39929754 0.36926384 # 58 Si58 0.80471275 0.31513153 0.84364726 # 59 Si59 0.72359250 0.56836189 0.67062789 # 60 Si60 0.83100165 0.42889704 0.70376739 # 61 Si61 0.72929906 0.71923659 0.01049039 # 62 Si62 0.87932143 0.72933086 0.38140465 # 63 Si63 0.73199573 0.86694963 0.12625114 # 64 Si64 0.88466249 0.81879250 0.21222735 # 65 Si65 0.74588850 0.71143202 0.52113782 # 66 Si66 0.90039573 0.71684101 0.88810175 # 67 Si67 0.73698511 0.83636302 0.65484853 # 68 Si68 0.89278304 0.85052965 0.75998600 # 69 Si69 0.05232462 0.97464609 0.05585143 # 70 O1 0.25142146 0.12254565 0.36135178 # 71 O2 0.02944063 0.12072103 0.03075556 # 72 O3 0.30797535 0.25472316 0.32712056 # 73 O4 0.96133766 0.10589940 0.50302122 # 74 O5 0.23474856 0.14877465 0.86027361 # 75 O6 0.05274791 0.22383038 0.48503046 # 76 O7 0.30432428 0.17895218 0.72267646 # 77 O8 0.13850327 0.05560396 0.95061249 # 78 O9 0.98094498 0.01520747 0.93128242 # 79 O10 0.27277606 0.46198635 0.14018164 # 80 O11 0.17272849 0.55391269 0.08058442 # 81 O12 0.21117949 0.38462785 0.35050139 # 82 O13 0.06527178 0.44035702 0.32329025 # 83 O14 0.16361131 0.51653612 0.40095832 # 84 O15 0.21749150 0.62188830 0.85218553 # 85 O16 0.20211068 0.49699586 0.76754718 # 86 O17 0.17767547 0.37100461 0.92668317 # 87 O18 0.06688055 0.65438678 0.03723686 # 88 O19 0.31532957 0.87888808 0.12359187 # 89 O 0.10395559 0.75983429 0.44739038 # 90 O20 0.95475786 0.75579632 0.43095456 # 91 O21 0.02757427 0.65434966 0.51810423 # 92 O22 0.02022049 0.79682141 0.56688145 # 93 O23 0.31606426 0.84896506 0.68473011 # 94 O24 0.14382035 0.72628727 0.93099702 # 95 O25 0.98594814 0.71287080 0.92636031 # 96 O26 0.40556764 0.97831992 0.05557518 # 97 O27 0.53529810 0.14052111 0.36155236 # 98 O28 0.43057118 0.12269227 0.09073297 # 99 O29 0.48107633 0.19731608 0.21585381 # 100 O30 0.30227635 0.04123579 0.48869961 # 101 O31 0.38434771 0.95542947 0.60014883 # 102 O32 0.59936260 0.14443834 0.89381946 # 103 O33 0.36836508 0.10525828 0.60502000 # 104 O34 0.57920544 0.29524306 0.85562993 # 105 O35 0.63739710 0.19722345 0.75693068 # 106 O36 0.49655374 0.06341449 0.97152562 # 107 O37 0.43264674 0.27172144 0.08689683 # 108 O38 0.42218162 0.42212271 0.06769143 # 109 O39 0.58949310 0.49477994 0.29151084 # 110 O40 0.68932131 0.56051761 0.18867048 # 111 O41 0.62806111 0.64173914 0.29550087 # 112 O42 0.40208518 0.36525268 0.51015027 # 113 O43 0.26949034 0.30350590 0.46129680 # 114 O44 0.32373115 0.25339031 0.58979795 # 115 O45 0.56608439 0.44399392 0.83360365 # 116 O46 0.64575206 0.53258677 0.71618689 # 117 O47 0.50002150 0.53944052 0.74124764 # 118 O48 0.48511669 0.35616577 0.95248564 # 119 O49 0.38803496 0.69237255 0.05519048 # 120 O50 0.46849496 0.86648451 0.13136358 # 121 O51 0.49127316 0.43747599 0.40039821 # 122 O52 0.25710012 0.75538492 0.47711218 # 123 O53 0.38922087 0.50354921 0.63746854 # 124 O54 0.40257393 0.80746082 0.56669386 # 125 O55 0.64771001 0.82718979 0.68595089 # 126 O56 0.47895872 0.85515074 0.68584749 # 127 O57 0.30458398 0.71364349 0.92995668 # 128 O59 0.00211113 0.37026784 0.21056024 # 129 O60 0.01524006 0.24571470 0.12054151 # 130 O61 0.88467216 0.31665605 0.13711369 # 131 O62 0.79867163 0.11364831 0.51817190 # 132 O63 0.88477865 0.09952328 0.85598059 # 133 O64 0.70982705 0.16890037 0.62701098 # 134 O65 0.85814994 0.24232026 0.82431747 # 135 O66 0.77488339 0.13394624 0.75889241 # 136 O67 0.81901465 0.99116562 0.93488533 # 137 O68 0.65805028 0.02627481 0.96437007 # 138 O69 0.76687836 0.32737110 0.04780400 # 139 O70 0.94100284 0.50344905 0.25398353 # 140 O71 0.98101532 0.64176609 0.22341049 # 141 O72 0.83600534 0.59327487 0.18880526 # 142 O73 0.92464085 0.38469938 0.33966134 # 143 O74 0.88503935 0.47260699 0.76726879 # 144 O75 0.77993857 0.49448379 0.66054258 # 145 O76 0.73827232 0.28972497 0.90393438 # 146 O77 0.74208217 0.64625401 0.07011986 # 147 O78 0.87732703 0.78780134 0.30479175 # 148 O79 0.72811496 0.79427618 0.06637530 # 149 O80 0.79924461 0.85475599 0.19173790 # 150 O81 0.81103641 0.72482751 0.45117723 # 151 O82 0.90210521 0.78560542 0.82483504 # 152 O83 0.75945603 0.76995856 0.59337404 # 153 O84 0.96630751 0.83688135 0.70200862 # 154 O85 0.80774573 0.83876736 0.71815294 # 155 O86 0.64822757 0.71318483 0.95899916 # 156 O87 0.93761430 0.32824749 0.64198961 # 157 O88 0.31896939 0.18440565 0.19130189 # 158 C1 0.13960232 0.08937950 0.49033830 # 159 C2 0.28322350 0.30876800 0.81605179 # 160 C3 0.08157635 0.50700441 0.95622858 # 161 C4 0.09908067 0.38637277 0.47572294 # 162 C5 0.29425944 0.47486444 0.89644819 # 163 C6 0.34784840 0.57820252 0.76997778 # 164 C7 0.03625080 0.82145953 0.02339492 # 165 C8 0.14484146 0.89475529 0.15592433 # 166 C10 0.22894022 0.79227909 0.81159738 # 167 C11 0.14195504 0.86026282 0.67305146 # 168 C12 0.46853706 0.02767108 0.48413890 # 169 C13 0.31036158 0.08906823 0.98865205 # 170 C14 0.60888234 0.59956362 0.85886266 # 171 C15 0.32441362 0.32130841 0.98087326 # 172 C16 0.39580988 0.83705259 0.98354462 # 173 C17 0.63600260 0.87673956 0.17218394 # 174 C18 0.57123396 0.78647978 0.81942519 # 175 C19 0.47240979 0.68577818 0.91678574 # 176 C 0.76111446 0.96036436 0.08075492 # 177 C20 0.62208099 0.10468848 0.51110905 # 178 C21 0.87821550 0.62834456 0.34522961 # 179 C22 0.76830770 0.35856289 0.75393062 # 180 C23 0.64015633 0.39881897 0.96881885 # 181 C24 0.96675211 0.89290013 0.18547946 # 182 C25 0.72146253 0.61057056 0.56568842 # 183 C26 0.90096635 0.95209971 0.79579577 # 184 C27 0.80778901 0.74218100 0.93920333 # 185 C28 0.38359400 0.08347691 0.30800206 # 186 C29 0.02365696 0.11287370 0.35838529 # 187 C30 0.01335116 0.32581923 0.61164510 # 188 C31 0.01870465 0.34595726 0.93195588 # 189 C32 0.14968217 0.24615107 0.34722034 # 190 C33 0.20263599 0.82795961 0.34131650 # 191 C34 0.21582405 0.88660111 0.99952869 # 192 C35 0.23114922 0.71045473 0.65258670 # 193 C36 0.45635397 0.22145863 0.66869114 # 194 C37 0.54038358 0.44315023 0.55247711 # 195 C38 0.40889258 0.21454033 0.45894896 # 196 C39 0.42932470 0.48333011 0.26071201 # 197 C40 0.55593918 0.73317227 0.12896741 # 198 C41 0.54015697 0.71123252 0.65413435 # 199 C42 0.87191287 0.97182857 0.50093932 # 200 C43 0.77400466 0.20133962 0.15687724 # 201 C44 0.71663120 0.25036428 0.48859099 # 202 C45 0.65246050 0.04150120 0.71074494 # 203 C46 0.63708204 0.23834322 0.02887376 # 204 C47 0.76563591 0.63903938 0.73604094 # 205 C48 0.89539584 0.39509499 0.62411196 # 206 C49 0.89793317 0.74887142 0.13525445 # 207 C50 0.15943749 0.21453189 0.06203866 # 208 C51 0.21960166 0.74972136 0.11823571 # 209 C52 0.59584079 0.08491723 0.22158508 # 210 C53 0.57520244 0.86967653 0.01188464 # 211 C54 0.92938028 0.15281504 0.70961092 # 212 C55 0.76582469 0.35578818 0.30459264 # 213 C56 0.28271697 0.68593975 0.44363000 # 214 C57 0.97951886 0.62100400 0.57345819 # 215 C58 0.57274835 0.66813911 0.34815800 # 216 C59 0.08037135 0.12585511 0.16551902 # 217 H1 0.02347963 0.93155213 0.61314006 # 218 H2 0.16988145 0.21839395 0.75503138 # 219 H3 0.11012218 0.38768333 0.05188587 # 220 H4 0.25261613 0.71646421 0.07779389 # 221 H6 0.85328293 0.37179277 0.88391220 # 222 H7 0.18312012 0.87236971 0.49230244 # 223 H8 0.21120005 0.98953704 0.39227520 # 224 H9 0.24066955 0.00518628 0.86549864 # 225 H10 0.60240706 0.23368623 0.27863498 # 226 H11 0.86377307 0.22151604 0.02977159 # 227 H12 0.50014215 0.18902124 0.80591907 # 228 H13 0.54794441 0.58247789 0.18737874 # 229 H14 0.40855323 0.43050137 0.76129130 # 230 H15 0.53224165 0.36435943 0.28392753 # 231 H16 0.58744515 0.01126839 0.39153501 # 232 H17 0.56303548 0.00684104 0.86108078 # 233 H18 0.94594104 0.24217384 0.24568513 # 234 H19 0.76887693 0.09930572 0.01219264 # 235 H20 0.73840775 0.91041491 0.61615405 # 236 H21 0.95258401 0.32568400 0.46649837 # 237 H22 0.77765402 0.51003218 0.08819567 # 238 H23 0.52964636 0.31501489 0.46422022 # 239 H24 0.83186519 0.36641152 0.44645774 # 240 H25 0.82205219 0.48210776 0.37594636 # 241 H26 0.89215773 0.64254619 0.85011059 # 242 H27 0.86598786 0.09008033 0.39608237 # 243 H28 0.67441112 0.73459690 0.48319878 # 244 H29 0.28337920 0.23399226 0.17918290 # 245 H30 0.15944677 0.12498775 0.53774029 # 246 H31 0.26487857 0.34173734 0.76602844 # 247 H32 0.12090773 0.53147441 0.91450193 # 248 H33 0.07489872 0.43703103 0.50381533 # 249 H34 0.35652435 0.47928469 0.89848232 # 250 H35 0.37993975 0.61208423 0.81125474 # 251 H36 0.04622496 0.85913254 0.97439667 # 252 H37 0.15304235 0.95490456 0.17038583 # 253 H39 0.27958035 0.82359382 0.83049419 # 254 H40 0.16133085 0.89023002 0.62129708 # 255 H41 0.50473515 0.99173318 0.52070569 # 256 H42 0.31066546 0.15149185 0.99076938 # 257 H43 0.67082319 0.60382799 0.85224461 # 258 H44 0.28835415 0.32379921 0.03194021 # 259 H45 0.44642456 0.85764289 0.95396062 # 260 H46 0.63679751 0.84709038 0.22706564 # 261 H47 0.62163510 0.82183892 0.82999170 # 262 H48 0.82362882 0.95939903 0.08414620 # 263 H49 0.58597220 0.13570177 0.55199641 # 264 H50 0.91115820 0.59596177 0.38737175 # 265 H51 0.71607840 0.39008852 0.76737868 # 266 H52 0.67583000 0.44463903 0.94646321 # 267 H53 0.99911751 0.90707786 0.23705911 # 268 H54 0.75307409 0.56652636 0.53450021 # 269 H55 0.85631074 0.98122307 0.76282258 # 270 H56 0.77491983 0.74408153 0.88572749 # 271 H57 0.29502183 0.13711053 0.15843644 # 272 H58 0.12749983 0.03367998 0.51653763 # 273 H59 0.34549840 0.30493230 0.81081243 # 274 H60 0.02460274 0.51365538 0.93160771 # 275 H61 0.15053393 0.37381955 0.50912829 # 276 H62 0.27574889 0.49646983 0.95229799 # 277 H63 0.33028230 0.61694088 0.72457407 # 278 H64 0.97419316 0.81491279 0.02296827 # 279 H65 0.14071830 0.86362669 0.20958342 # 280 H67 0.18105852 0.82837432 0.82894708 # 281 H68 0.13691310 0.90685023 0.71482536 # 282 H69 0.44924028 0.98673167 0.44072266 # 283 H70 0.28637578 0.07230384 0.04417591 # 284 H71 0.60174878 0.57029683 0.91375657 # 285 H72 0.32368454 0.26107573 0.96449141 # 286 H73 0.34841784 0.86192738 0.95179525 # 287 H74 0.62761227 0.93717182 0.18461366 # 288 H75 0.52426872 0.81811375 0.84595583 # 289 H76 0.74478012 0.00011342 0.12649677 # 290 H77 0.62754877 0.04799738 0.53750607 # 291 H78 0.81917076 0.61013074 0.35384565 # 292 H79 0.75083573 0.31347928 0.71457369 # 293 H80 0.61523406 0.41854395 0.02237112 # 294 H81 0.93536905 0.94561565 0.17269970 # 295 H82 0.66306079 0.60526519 0.54367861 # 296 H83 0.95409608 0.97207445 0.76942304 # 297 H84 0.81590671 0.80304390 0.95166307 # 298 H85 0.40257311 0.07125472 0.36538081 # 299 H86 0.34653104 0.03617864 0.29054296 # 300 H87 0.43128160 0.08349247 0.26895534 # 301 H88 0.07415397 0.11405051 0.32249984 # 302 H89 0.99965370 0.05548011 0.35500364 # 303 H90 0.98161410 0.15160485 0.33397663 # 304 H91 0.04100146 0.27814955 0.64088523 # 305 H92 0.04403481 0.37752681 0.62953113 # 306 H93 0.96635779 0.36149006 0.96175013 # 307 H94 0.01040485 0.35667183 0.87121114 # 308 H95 0.02703803 0.28483188 0.93945290 # 309 H96 0.15291675 0.23902654 0.28530148 # 310 H97 0.14481249 0.19025375 0.37178866 # 311 H98 0.09834683 0.27857724 0.35908256 # 312 H99 0.16132513 0.87019252 0.32218065 # 313 H100 0.25945165 0.85164227 0.33264750 # 314 H101 0.19644905 0.77734261 0.30570801 # 315 H102 0.15781887 0.90146638 0.98432442 # 316 H103 0.25031580 0.93786201 0.99271421 # 317 H104 0.23593598 0.84494505 0.95856272 # 318 H105 0.19377240 0.67141294 0.68352149 # 319 H106 0.20924852 0.71672031 0.59493836 # 320 H107 0.28757283 0.68490577 0.64822937 # 321 H108 0.49238953 0.17646826 0.69110990 # 322 H109 0.48222741 0.24144590 0.61573063 # 323 H110 0.45704615 0.26901667 0.70863155 # 324 H111 0.54301862 0.41347650 0.60706950 # 325 H112 0.51541268 0.49921731 0.56205272 # 326 H113 0.59894255 0.45132383 0.53291480 # 327 H114 0.43161503 0.23451585 0.40499479 # 328 H115 0.45728563 0.20006204 0.49504063 # 329 H116 0.37686394 0.16253431 0.44891741 # 330 H117 0.41515105 0.53901274 0.28465210 # 331 H118 0.44027058 0.49077056 0.20002808 # 332 H119 0.37967591 0.44654886 0.26768845 # 333 H120 0.53199028 0.72474464 0.18580119 # 334 H121 0.51977467 0.70207629 0.08938137 # 335 H122 0.61282099 0.70847308 0.12870800 # 336 H123 0.48529970 0.68594351 0.66854435 # 337 H124 0.53870837 0.72540297 0.59360986 # 338 H125 0.58409359 0.66853433 0.66399203 # 339 H126 0.81748286 0.94703221 0.48394737 # 340 H127 0.91726284 0.94114677 0.47142990 # 341 H128 0.87927864 0.96206853 0.56192468 # 342 H129 0.74251218 0.15662860 0.12763720 # 343 H130 0.81632108 0.17377710 0.19335142 # 344 H131 0.73451694 0.23239763 0.19345026 # 345 H132 0.66344642 0.28053569 0.50000848 # 346 H133 0.76374992 0.28479577 0.50979562 # 347 H134 0.72257214 0.24519230 0.42692710 # 348 H135 0.65187205 0.01573904 0.76726803 # 349 H136 0.59391706 0.04246662 0.68978771 # 350 H137 0.68528056 0.00410237 0.67353035 # 351 H138 0.66361190 0.18229585 0.02762458 # 352 H139 0.62852683 0.25480356 0.08831842 # 353 H140 0.58130885 0.23353804 0.00257001 # 354 H141 0.78229150 0.61208242 0.78944666 # 355 H142 0.81653656 0.66397055 0.71062842 # 356 H143 0.72608445 0.68540477 0.74834665 # 357 H144 0.93408129 0.44369051 0.61493955 # 358 H145 0.86347852 0.38797359 0.57074437 # 359 H146 0.86057569 0.70006231 0.13585656 # 360 H147 0.88366560 0.78280941 0.08497906 # 361 H148 0.95644805 0.72994963 0.13019411 # 362 H149 0.20453225 0.17201460 0.06112542 # 363 H150 0.15324213 0.23752476 0.00465539 # 364 H151 0.17736292 0.26088749 0.09935246 # 365 H152 0.01071443 0.62070099 0.18212666 # 366 H153 0.16090395 0.72957836 0.11780267 # 367 H154 0.24327165 0.73893904 0.17484793 # 368 H155 0.61051506 0.10065113 0.16326174 # 369 H156 0.64713309 0.06564401 0.25099146 # 370 H157 0.55588785 0.03729172 0.21899929 # 371 H158 0.54699247 0.92433941 0.00328445 # 372 H159 0.63525336 0.87707994 0.99912395 # 373 H160 0.55271429 0.82973415 0.97038675 # 374 H161 0.93057829 0.09671962 0.68289545 # 375 H162 0.91592649 0.19500515 0.66606332 # 376 H163 0.98643010 0.16516972 0.73116419 # 377 H164 0.77118790 0.37865499 0.24703609 # 378 H165 0.77291069 0.29413898 0.30188070 # 379 H166 0.70825561 0.36805016 0.32476467 # 380 H167 0.23465622 0.64979452 0.42739521 # 381 H168 0.31769811 0.69749624 0.39336832 # 382 H169 0.31737051 0.65601305 0.48568011 # 383 H170 0.97297601 0.65751059 0.62357694 # 384 H171 0.92298145 0.60882108 0.55003380 # 385 H172 0.00531213 0.56732074 0.59134828 # 386 H173 0.21596213 0.51957507 0.41715082 # 387 H174 0.17867860 0.52412784 0.72596874 # 388 H175 0.88605158 0.44941381 0.81723107 # 389 H176 0.39528980 0.45654154 0.60943563 # 390 H177 0.35581941 0.79829271 0.53844851 # 391 H178 0.22775060 0.43247192 0.15264297 # 392 H179 0.38184102 0.42750830 0.10515029 # 393 H180 0.36301205 0.64352853 0.06297853 # 394 H181 0.51920726 0.68290590 0.31960288 # 395 H182 0.59522123 0.71913326 0.37553623 # 396 H183 0.56104157 0.62540230 0.39203669 # 397 H184 0.03336175 0.53524919 0.10377315 # 398 H185 0.45391655 0.68283730 0.85681892 # 399 H187 0.46911823 0.62662689 0.93705156 # 400 H188