Optical Spectra, GW, quasiparticle shifts, LKU-53-V4 from job 883 (compare job 888)
1.0
17.15000000 0.00000000 0.00000000
0.00000000 17.15000000 0.00000000
0.00000000 0.00000000 17.15000000
Si C O H
69 59 88 169
Direct
0.05177587 0.09340853 0.00960727 # 1 Si1
0.26148945 0.08431806 0.38599283 # 2 Si2
0.00127929 0.28607857 0.00762680 # 3 Si3
0.30797156 0.23672173 0.29059563 # 4 Si4
0.09669379 0.10356331 0.52376044 # 5 Si5
0.27568565 0.11070909 0.78763437 # 6 Si6
0.09459490 0.27262459 0.60882907 # 7 Si7
0.26718840 0.26454220 0.68941294 # 8 Si8
0.03291582 0.47388394 0.99044685 # 9 Si9
0.25691565 0.41625786 0.35058391 # 10 Si10
0.06612266 0.60207246 0.13591902 # 11 Si11
0.24975525 0.55593638 0.21357172 # 12 Si12
0.08984906 0.37760596 0.45453223 # 13 Si13
0.27530497 0.39417408 0.82863802 # 14 Si14
0.29058381 0.57874680 0.79987258 # 15 Si16
0.08233054 0.77599370 0.00851843 # 16 Si17
0.26470684 0.80750436 0.41856807 # 17 Si18
0.10543581 0.92555860 0.13376094 # 18 Si19
0.24890115 0.93085852 0.27407841 # 19 Si20
0.08961198 0.85464267 0.47300389 # 20 Si21
0.25529687 0.75554394 0.86422449 # 21 Si22
0.09296497 0.94741904 0.63234440 # 22 Si23
0.26384757 0.92851247 0.73405961 # 23 Si24
0.40080431 0.10384412 0.91593203 # 24 Si25
0.57972892 0.09267448 0.38488997 # 25 Si26
0.40622477 0.29410349 0.16446928 # 26 Si27
0.56402470 0.22401359 0.24578966 # 27 Si28
0.42244468 0.08403938 0.49381173 # 28 Si29
0.57562386 0.11632426 0.86039559 # 29 Si30
0.43915712 0.25460775 0.57717626 # 30 Si31
0.57162061 0.24875736 0.71973953 # 31 Si32
0.40473613 0.38945314 0.00267705 # 32 Si33
0.57998264 0.41344006 0.30932320 # 33 Si34
0.39564143 0.55834201 0.08826726 # 34 Si35
0.56399980 0.55146943 0.17788458 # 35 Si36
0.45020280 0.39798404 0.44931095 # 36 Si37
0.44377238 0.65039776 0.65721864 # 37 Si39
0.59843069 0.66114735 0.74978899 # 38 Si40
0.41467729 0.67642406 0.94459626 # 39 Si41
0.60924432 0.80095495 0.41566824 # 40 Si42
0.41730302 0.89534723 0.20690179 # 41 Si43
0.58353074 0.93517381 0.28001382 # 42 Si44
0.43577389 0.80629796 0.51376977 # 43 Si45
0.58812939 0.79757362 0.87003990 # 44 Si46
0.42114679 0.94949357 0.63032921 # 45 Si47
0.55297752 0.95558578 0.76785474 # 46 Si48
0.71751386 0.06753157 0.98439731 # 47 Si49
0.92778413 0.07409434 0.43975371 # 48 Si50
0.81864484 0.19337161 0.08414081 # 49 Si51
0.89398468 0.17169843 0.27215247 # 50 Si52
0.75084786 0.10689756 0.52560428 # 51 Si53
0.90867502 0.01931874 0.92347597 # 52 Si54
0.76145218 0.22735624 0.66667881 # 53 Si55
0.93019218 0.29533255 0.70694529 # 54 Si56
0.78661695 0.45811654 0.97630269 # 55 Si57
0.98898019 0.32063679 0.32086890 # 56 Si58
0.71474403 0.60144797 0.07398111 # 57 Si59
0.98003268 0.60539389 0.30867137 # 58 Si60
0.90249337 0.47724209 0.83063290 # 59 Si62
0.72593947 0.71703641 0.65723459 # 60 Si63
0.87700220 0.66479121 0.76000412 # 61 Si64
0.73456694 0.78791259 0.98395022 # 62 Si65
0.93891222 0.76795971 0.40462152 # 63 Si66
0.69646913 0.94313781 0.11987491 # 64 Si67
0.83712584 0.78354628 0.26166363 # 65 Si68
0.77952182 0.79046554 0.51355584 # 66 Si69
0.91465383 0.78071674 0.89722155 # 67 Si70
0.79920036 0.93340967 0.64105442 # 68 Si71
0.94727344 0.94345281 0.75623675 # 69 Si72
0.08850056 0.03292703 0.10086224 # 70 C18
0.07129154 0.20273145 0.03273774 # 71 C28
0.23615250 0.31869264 0.30262877 # 72 C27
0.18645028 0.12307531 0.46023903 # 73 C25
0.33914114 0.29139436 0.61009940 # 74 C19
0.99686234 0.53787472 0.07487703 # 75 C11
0.15949273 0.54138042 0.15085818 # 76 C9
0.16914285 0.44258675 0.41553917 # 77 C5
0.00756868 0.49229721 0.52994840 # 78 C37
0.23024471 0.67451021 0.78745533 # 79 C3
0.36898696 0.58934985 0.71635014 # 80 C21
0.99250745 0.50367146 0.88989831 # 81 C14
0.08271836 0.70677064 0.09723783 # 82 C8
0.28071486 0.86105285 0.82508435 # 83 C13
0.17915607 0.89565467 0.67428038 # 84 C1
0.17668906 0.74982923 0.94967485 # 85 C20
0.61556645 0.31642453 0.27509713 # 86 C23
0.67130900 0.28811435 0.68872241 # 87 C29
0.49565875 0.15729058 0.92106571 # 88 C17
0.61351488 0.70045971 0.37653428 # 89 C35
0.34225860 0.42055737 0.42508078 # 90 C31
0.35745017 0.36725545 0.90334236 # 91 C32
0.40329053 0.71845952 0.57694241 # 92 C6
0.50836455 0.73190032 0.91225426 # 93 C4
0.91969825 0.08059412 0.32901960 # 94 C22
0.89031315 0.15226361 0.16130592 # 95 C26
0.85423522 0.13421301 0.49412854 # 96 C15
0.67575933 0.12091966 0.43806576 # 97 C10
0.73960297 0.01264956 0.58720293 # 98 C30
0.91491809 0.37215671 0.78821599 # 99 C7
0.79913387 0.03443764 0.91768450 # 100 C2
0.69070609 0.43055951 0.42272178 # 101 C
0.86966922 0.55451270 0.75682532 # 102 C16
0.69284306 0.68566260 0.00599621 # 103 C24
0.91388997 0.83404784 0.32284875 # 104 C12
0.72579560 0.84259500 0.08095610 # 105 C34
0.95629068 0.84800855 0.81473434 # 106 C33
0.39382548 0.24233335 0.35486343 # 107 C36
0.20258983 0.14734345 0.85766749 # 108 C73
0.17779685 0.37715724 0.87239101 # 109 C111
0.26768586 0.56513754 0.90773905 # 110 C150
0.08379271 0.92590041 0.39204436 # 111 C190
0.39966088 0.38998660 0.21170470 # 112 C231
0.44388863 0.58318252 0.89474061 # 113 C273
0.43530579 0.91866596 0.10263675 # 114 C316
0.90471748 0.97389265 0.47491289 # 115 C360
0.75732589 0.27685845 0.11978235 # 116 C405
0.92889101 0.93815208 0.99235956 # 117 C451
0.78205142 0.15351727 0.74360137 # 118 C498
0.02504753 0.37875667 0.23679553 # 119 C546
0.88743060 0.55154179 0.29176283 # 120 C595
0.65069879 0.79603922 0.64379463 # 121 C645
0.88332545 0.75326087 0.16735741 # 122 C696
0.75618082 0.90140190 0.73642995 # 123 C748
0.26326295 0.70079050 0.40128515 # 124 C53
0.48546184 0.48050374 0.50995978 # 125 C107
0.78003523 0.98834447 0.17230692 # 126 C162
0.80076855 0.21803566 0.30381710 # 127 C56
0.67022375 0.39001846 0.89157160 # 128 C59
0.26816089 0.15283041 0.31833982 # 129 O2
0.33430639 0.23728413 0.19607227 # 130 O5
0.01890282 0.09456412 0.46873779 # 131 O8
0.10605645 0.03226022 0.58825519 # 132 O9
0.27729762 0.17171012 0.71300825 # 133 O10
0.08422656 0.18371068 0.57664352 # 134 O11
0.28628510 0.32416561 0.76206518 # 135 O12
0.17350255 0.27755138 0.66390390 # 136 O14
0.96364542 0.08790679 0.96664536 # 137 O16
0.03404387 0.37783927 0.00871697 # 138 O17
0.26016175 0.48601147 0.28064252 # 139 O18
0.32660577 0.56299093 0.15410880 # 140 O21
0.05878961 0.31563951 0.38807430 # 141 O24
0.11305270 0.33142555 0.53495628 # 142 O25
0.27578655 0.48059410 0.78204540 # 143 O26
0.01081821 0.43190878 0.47247838 # 144 O27
0.25197137 0.85512800 0.33462835 # 145 O34
0.10373002 0.86219594 0.05733136 # 146 O35
0.23855334 0.00669742 0.33296321 # 147 O36
0.33420640 0.93721023 0.23220529 # 148 O37
0.18125809 0.92412119 0.20163978 # 149 O38
0.18405878 0.82533801 0.47291870 # 150 O39
0.01952773 0.78839677 0.45513994 # 151 O40
0.06632041 0.88734811 0.56061269 # 152 O43
0.25497544 0.02021908 0.76343011 # 153 O44
0.33769891 0.92908395 0.67108020 # 154 O45
0.99370751 0.77288958 0.95942884 # 155 O48
0.55591723 0.16627218 0.32467918 # 156 O50
0.48699516 0.24594916 0.19023674 # 157 O54
0.50326753 0.07359848 0.44169074 # 158 O55
0.34505118 0.07262120 0.43630342 # 159 O56
0.41859423 0.02346681 0.56883382 # 160 O57
0.58760307 0.17259587 0.78039876 # 161 O58
0.42390534 0.17111675 0.53259149 # 162 O59
0.52561680 0.31659241 0.77137877 # 163 O60
0.51043997 0.24050973 0.64327109 # 164 O62
0.36308869 0.11201623 0.82745871 # 165 O64
0.39674403 0.31742891 0.06941996 # 166 O65
0.56562878 0.47219319 0.23304744 # 167 O66
0.38074505 0.47608980 0.03954548 # 168 O67
0.63580707 0.55944773 0.11356906 # 169 O69
0.48185128 0.55121877 0.12908729 # 170 O70
0.50503427 0.39852518 0.36859933 # 171 O71
0.46352835 0.31941638 0.50759118 # 172 O73
0.59314318 0.57837634 0.79834298 # 173 O74
0.62531928 0.73308572 0.80682796 # 174 O76
0.66545963 0.64522939 0.68229505 # 175 O77
0.51241941 0.68662852 0.71611812 # 176 O78
0.49844589 0.39147462 0.97716402 # 177 O79
0.39573915 0.63962524 0.03476761 # 178 O81
0.60910832 0.86551813 0.34293043 # 179 O82
0.59838657 0.01742085 0.32714980 # 180 O84
0.62977850 0.93320402 0.19371544 # 181 O85
0.49038579 0.92680471 0.26143891 # 182 O86
0.52193519 0.80495961 0.46469874 # 183 O87
0.35364090 0.82549078 0.46002656 # 184 O88
0.55481681 0.87418510 0.82086230 # 185 O90
0.44887451 0.87581778 0.57748154 # 186 O91
0.55038245 0.02944112 0.82807438 # 187 O92
0.48172079 0.96050977 0.70405718 # 188 O94
0.33880567 0.72757036 0.91126468 # 189 O96
0.67560351 0.00094150 0.04280401 # 190 O97
0.75185877 0.13304988 0.04591651 # 191 O99
0.96679772 0.23402919 0.28836862 # 192 O100
0.73490335 0.18229321 0.58564996 # 193 O107
0.01238125 0.30213208 0.65249287 # 194 O109
0.84532238 0.28103409 0.65880090 # 195 O110
0.65210966 0.10389716 0.92047754 # 196 O112
0.84760770 0.41576109 0.03662372 # 197 O113
0.76179188 0.53902908 0.01884257 # 198 O115
0.95802673 0.68358733 0.36181853 # 199 O116
0.02414781 0.62040057 0.22347797 # 200 O117
0.91126061 0.35975695 0.36236830 # 201 O119
0.64925646 0.46021071 0.35699180 # 202 O120
0.89729457 0.69782970 0.84877683 # 203 O124
0.95321587 0.68987833 0.70551660 # 204 O125
0.79894596 0.70882421 0.72103659 # 205 O126
0.82606807 0.47393528 0.89126967 # 206 O127
0.70926883 0.40282417 0.96363750 # 207 O128
0.85720510 0.76865258 0.45977123 # 208 O135
0.69586140 0.81264177 0.46593086 # 209 O136
0.76397835 0.71160605 0.56829644 # 210 O137
0.80480141 0.86121209 0.57450675 # 211 O139
0.93524014 0.00778162 0.82874736 # 212 O140
0.03031664 0.95467583 0.70633150 # 213 O141
0.88576752 0.95565857 0.68127947 # 214 O142
0.82692837 0.79256617 0.94474645 # 215 O143
0.66544360 0.82203987 0.92303951 # 216 O144
0.93689484 0.28407767 0.06683170 # 217 H2
0.10669738 0.06641552 0.94855509 # 218 H4
0.24883866 0.63094209 0.25624998 # 219 H5
0.02354277 0.46976513 0.58797706 # 220 H7
0.11731419 0.49425367 0.98262801 # 221 H8
0.94740113 0.51425828 0.53217809 # 222 H9
0.41166651 0.01976006 0.93588549 # 223 H11
0.34520983 0.13837546 0.97379991 # 224 H12
0.61448949 0.17836688 0.19178430 # 225 H13
0.48542699 0.58921362 0.61236663 # 226 H14
0.62417497 0.96180347 0.72102172 # 227 H17
0.81136182 0.24619607 0.93348333 # 228 H18
0.94327151 0.22274234 0.75290499 # 229 H19
0.03737247 0.56133847 0.35692059 # 230 H20
0.76526152 0.62195354 0.14133657 # 231 H22
0.70829143 0.48021174 0.45937555 # 232 H23
0.74361194 0.39932906 0.40369689 # 233 H24
0.76890007 0.83607740 0.24984381 # 234 H25
0.03813710 0.90129085 0.18312476 # 235 H26
0.80490385 0.71346731 0.30206930 # 236 H27
0.06002583 0.05671039 0.15381276 # 237 H1
0.08635296 0.20794178 0.09514914 # 238 H3
0.18580505 0.29514634 0.33497202 # 239 H6
0.16333888 0.17402351 0.42776609 # 240 H10
0.34594198 0.35507485 0.61773089 # 241 H15
0.95036699 0.57616684 0.05195626 # 242 H21
0.13606114 0.48310915 0.16566446 # 243 H28
0.13498732 0.48467257 0.38042209 # 244 H36
0.16711052 0.66404555 0.79522856 # 245 H45
0.32768246 0.57132886 0.66943321 # 246 H55
0.04255390 0.49246486 0.85065956 # 247 H66
0.04327099 0.73921606 0.13666459 # 248 H78
0.34467559 0.86237923 0.83406295 # 249 H91
0.15021278 0.84811578 0.70684979 # 250 H105
0.16923334 0.68554009 0.95016402 # 251 H120
0.65267777 0.33063688 0.22434513 # 252 H136
0.66040176 0.32523929 0.63716499 # 253 H153
0.48451706 0.21873979 0.90611504 # 254 H171
0.66527817 0.69226304 0.33966436 # 255 H190
0.34168172 0.48390442 0.43869745 # 256 H210
0.34377026 0.30417601 0.90787467 # 257 H231
0.38086883 0.67385351 0.53584503 # 258 H253
0.54832124 0.68209479 0.92204761 # 259 H276
0.97541655 0.05871860 0.30507568 # 260 H300
0.89382323 0.08894200 0.15178223 # 261 H325
0.85063542 0.19459489 0.47230874 # 262 H351
0.71588050 0.11397342 0.38791327 # 263 H378
0.70309654 0.97446071 0.54998013 # 264 H406
0.95910159 0.34931933 0.82968954 # 265 H435
0.79048105 0.07294722 0.86687908 # 266 H465
0.80740581 0.53986491 0.74840858 # 267 H496
0.68635242 0.65693501 0.94855930 # 268 H528
0.89200282 0.89042728 0.34365399 # 269 H561
0.69007080 0.80107779 0.11504524 # 270 H595
0.97045382 0.80214749 0.77163079 # 271 H630
0.14752713 0.05971856 0.10285268 # 272 H37
0.12646147 0.21436227 0.00132607 # 273 H74
0.21336784 0.33232378 0.24399676 # 274 H112
0.22675128 0.14928671 0.50348021 # 275 H151
0.30741256 0.28519176 0.55414212 # 276 H191
0.96683113 0.49910539 0.11657802 # 277 H232
0.18205011 0.53406919 0.09079666 # 278 H274
0.19160307 0.47744359 0.46488370 # 279 H317
0.23735674 0.69916274 0.72849766 # 280 H361
0.40473270 0.53612841 0.72402112 # 281 H407
0.99002626 0.56807605 0.89527343 # 282 H453
0.14121044 0.72099112 0.12098708 # 283 H500
0.25806389 0.89797513 0.87312068 # 284 H548
0.20669147 0.86654245 0.62384784 # 285 H597
0.21671900 0.75979702 0.99968368 # 286 H647
0.65714557 0.29770562 0.32071284 # 287 H698
0.68586808 0.32921667 0.73620530 # 288 H750
0.51405534 0.15641249 0.98271272 # 289 H803
0.61647048 0.65772922 0.42429315 # 290 H857
0.31182073 0.39530658 0.47632465 # 291 H912
0.41020850 0.36761565 0.86601944 # 292 H968
0.34974429 0.74593469 0.60064147 # 293 H1025
0.48773271 0.71964541 0.85161772 # 294 H1083
0.87591871 0.03593584 0.31310525 # 295 H1142
0.94720611 0.17499365 0.14126159 # 296 H1202
0.88142450 0.14027660 0.55253302 # 297 H1263
0.66959370 0.18515032 0.44282940 # 298 H1325
0.69830498 0.03351380 0.63232694 # 299 H1388
0.86038963 0.34519509 0.81068345 # 300 H1452
0.78082061 0.97640940 0.89576370 # 301 H1517
0.89762241 0.54008033 0.70053998 # 302 H1583
0.63319215 0.70496047 0.02169370 # 303 H1650
0.96490105 0.84533050 0.28553425 # 304 H1718
0.78394151 0.83666099 0.10781583 # 305 H1787
0.01377156 0.86204063 0.84084143 # 306 H1857
0.37382543 0.24840803 0.41528315 # 307 H71
0.42609173 0.18737083 0.35124760 # 308 H72
0.43472962 0.28954993 0.34231453 # 309 H73
0.21396971 0.20932668 0.86917147 # 310 H147
0.14298053 0.14161314 0.83487611 # 311 H148
0.20587380 0.11585090 0.91319350 # 312 H149
0.16295860 0.42158207 0.91580881 # 313 H226
0.13289473 0.37679360 0.82657127 # 314 H227
0.17619708 0.32034209 0.90199174 # 315 H228
0.29269573 0.51282328 0.93442498 # 316 H308
0.27591554 0.61396239 0.94771057 # 317 H309
0.20408914 0.55525449 0.90348461 # 318 H310
0.02532441 0.94925501 0.38269388 # 319 H393
0.12409028 0.97468741 0.40009641 # 320 H394
0.10092088 0.89529668 0.33832381 # 321 H395
0.34448992 0.41612683 0.19310431 # 322 H481
0.40115757 0.38896299 0.27544463 # 323 H482
0.44651016 0.42859879 0.19232509 # 324 H483
0.40394638 0.53452772 0.90372710 # 325 H572
0.45701710 0.58878663 0.83275299 # 326 H573
0.49923613 0.56598848 0.92254691 # 327 H574
0.38644553 0.89857148 0.06623284 # 328 H666
0.44129088 0.98202452 0.09445186 # 329 H667
0.48894032 0.89076328 0.08122753 # 330 H668
0.94125658 0.92641049 0.45377089 # 331 H763
0.91109430 0.97444342 0.53870839 # 332 H764
0.84367784 0.95967979 0.46140762 # 333 H765
0.71394406 0.25153773 0.15961881 # 334 H863
0.79080288 0.32182341 0.15063220 # 335 H864
0.72595532 0.30404046 0.07097195 # 336 H865
0.98880304 0.91652046 0.98829386 # 337 H966
0.88786463 0.88947500 0.99078045 # 338 H967
0.92317325 0.96498585 0.05048648 # 339 H969
0.83254475 0.11706855 0.72828005 # 340 H1073
0.79508054 0.18189454 0.79956867 # 341 H1074
0.73088958 0.11589500 0.75186437 # 342 H1075
0.04303755 0.43744407 0.25527467 # 343 H1182
0.07536669 0.35014280 0.20919234 # 344 H1183
0.97929084 0.38493357 0.19229595 # 345 H1184
0.85038908 0.58253465 0.24956100 # 346 H1294
0.89804062 0.49248650 0.26933597 # 347 H1295
0.85424569 0.54602082 0.34637934 # 348 H1296
0.66899359 0.85040079 0.61645015 # 349 H1409
0.61102077 0.76730550 0.60214359 # 350 H1410
0.61599063 0.80993548 0.69527697 # 351 H1411
0.90725641 0.80364677 0.13564348 # 352 H1527
0.93196223 0.71380167 0.18068423 # 353 H1528
0.84331220 0.72175601 0.12870204 # 354 H1529
0.79642672 0.85757509 0.76042497 # 355 H1648
0.75902276 0.95284967 0.77466443 # 356 H1649
0.69771846 0.87776239 0.73999842 # 357 H1651
0.20926282 0.68309663 0.37175513 # 358 H122
0.31290004 0.68156469 0.36567278 # 359 H123
0.26558816 0.67026253 0.45769706 # 360 H124
0.54647189 0.47184111 0.52774941 # 361 H249
0.48173983 0.53646217 0.47885979 # 362 H250
0.45053846 0.48502617 0.56345650 # 363 H251
0.79379911 0.95472518 0.22499400 # 364 H379
0.83235923 0.99052707 0.13550995 # 365 H380
0.76484110 0.04805800 0.18970617 # 366 H381
0.79795003 0.22679854 0.36703615 # 367 H131
0.79578899 0.27571138 0.27648412 # 368 H132
0.75026458 0.18311093 0.28529135 # 369 H133
0.92655015 0.39280866 0.40670036 # 370 H155
0.65480614 0.39080578 0.45851276 # 371 H311
0.04642164 0.54113766 0.51448915 # 372 H157
0.94248090 0.70656055 0.65246743 # 373 H315
0.62816141 0.53822735 0.77926891 # 374 H159
0.53703343 0.39404282 0.01859910 # 375 H319
0.85310364 0.35927936 0.03334007 # 376 H480
0.61571558 0.42390570 0.88961067 # 377 H162
0.70728358 0.40603089 0.84153183 # 378 H163
0.65621084 0.32744163 0.88736612 # 379 H164
0.56656839 0.62045859 0.22919697 # 380 H165
0.56139272 0.68758754 0.34160517 # 381 H331
0.96734917 0.27171118 0.92898842 # 382 H167
0.40953055 0.80988073 0.22137839 # 383 H335
0.78474143 0.26165809 0.90175219 # 384 H504
0.54160229 0.32428283 0.82520140 # 385 H169