(SiO2)72 , quasi-shifts, GW0 DFT GGA PBE, Gaussian smear (after MD NPT test-2)
1.0
14.88018712 0.00000000 0.00000000
0.00000000 14.88018712 0.00000000
0.00000000 0.00000000 12.67431531
Si O
72 144
Direct
0.00441327 0.97818300 0.97263400 # 1 Si1
0.15979400 0.19392600 0.09977170 # 2 Si2
0.06628620 0.03739000 0.23371500 # 3 Si3
0.20081500 0.18038000 0.34301900 # 4 Si4
0.96867200 0.17070400 0.68451900 # 5 Si5
0.17241700 0.18575000 0.65381300 # 6 Si6
0.98743400 0.96508400 0.71014900 # 7 Si7
0.14698100 0.11982100 0.87831300 # 8 Si8
0.09378530 0.41371400 0.06767460 # 9 Si9
0.20350300 0.57951700 0.15503700 # 10 Si10
0.03573350 0.31277200 0.28029100 # 11 Si11
0.17911100 0.53906700 0.39513200 # 12 Si12
0.02006810 0.38102000 0.67665500 # 13 Si13
0.25520000 0.38208800 0.73706500 # 14 Si14
0.96508800 0.31246900 0.90958300 # 15 Si15
0.13308800 0.52502500 0.85489700 # 16 Si16
0.88613800 0.59886100 0.98938400 # 17 Si17
0.19401500 0.89901000 0.11107200 # 18 Si18
0.03619450 0.70557400 0.17899100 # 19 Si19
0.12724900 0.82692000 0.33861800 # 20 Si20
0.97343800 0.63742700 0.42567100 # 21 Si21
0.07497830 0.80824600 0.57758600 # 22 Si22
0.02661780 0.71075300 0.81006900 # 23 Si23
0.16252200 0.87332700 0.86335700 # 24 Si24
0.31069000 0.07501090 0.01380940 # 25 Si25
0.54647100 0.19202500 0.14536500 # 26 Si26
0.49217400 0.89308100 0.34136700 # 27 Si27
0.51813700 0.10675100 0.36591400 # 28 Si28
0.32891400 0.10476100 0.51388800 # 29 Si29
0.53163900 0.18775600 0.67280400 # 30 Si30
0.26331500 0.84346600 0.66408600 # 31 Si31
0.48802300 0.13649900 0.91078200 # 32 Si32
0.44319300 0.41964500 0.14210900 # 33 Si33
0.50713900 0.62008500 0.19269600 # 34 Si34
0.37575600 0.27781700 0.29838100 # 35 Si35
0.52810800 0.52466400 0.44559100 # 36 Si36
0.15511400 0.34803900 0.49168600 # 37 Si37
0.50008100 0.43067600 0.65451500 # 38 Si38
0.36467200 0.30218600 0.53556900 # 39 Si39
0.43083700 0.42803400 0.89802600 # 40 Si40
0.26388000 0.69041500 0.94138500 # 41 Si41
0.61545400 0.72205900 0.01488580 # 42 Si42
0.41969500 0.80229100 0.11962400 # 43 Si43
0.31222600 0.82254200 0.43981400 # 44 Si44
0.35514400 0.62523100 0.49189000 # 45 Si45
0.62645500 0.83228100 0.51924500 # 46 Si46
0.33361800 0.57466100 0.73205700 # 47 Si47
0.41720800 0.79214600 0.79733900 # 48 Si48
0.67848300 0.93777200 0.99000300 # 49 Si49
0.84018800 0.21892100 0.07698260 # 50 Si50
0.69674200 0.05031620 0.20673600 # 51 Si51
0.90246200 0.15358900 0.30260900 # 52 Si52
0.75224400 0.98628600 0.46885600 # 53 Si53
0.80842800 0.17730300 0.52981900 # 54 Si54
0.51007500 0.97689600 0.75624000 # 55 Si55
0.81844200 0.07245030 0.92020700 # 56 Si56
0.68805500 0.35507900 0.05796920 # 57 Si57
0.93263900 0.51096900 0.20139800 # 58 Si58
0.60765100 0.35943000 0.30563600 # 59 Si59
0.77032200 0.48807500 0.35147700 # 60 Si60
0.66829600 0.34463800 0.54742000 # 61 Si61
0.84506900 0.49543900 0.58786900 # 62 Si62
0.61815600 0.33214500 0.83407100 # 63 Si63
0.79088900 0.44922800 0.87968500 # 64 Si64
0.53939200 0.61268100 0.81536300 # 65 Si65
0.84010300 0.78822600 0.05966550 # 66 Si66
0.66328300 0.67251700 0.34238300 # 67 Si67
0.76250500 0.84814100 0.27183600 # 68 Si68
0.65981700 0.62612300 0.61361900 # 69 Si69
0.83934100 0.80099200 0.48352400 # 70 Si70
0.64279300 0.80868400 0.77592500 # 71 Si71
0.84477600 0.84836600 0.82095400 # 72 Si72
0.06375440 0.05919350 0.90390500 # 73 O1
0.10041700 0.10382600 0.14312400 # 74 O2
0.09885700 0.29995800 0.18496000 # 75 O3
0.25692600 0.14777700 0.08895220 # 76 O4
0.14874700 0.09462210 0.30549700 # 77 O5
0.26969400 0.12727700 0.41913500 # 78 O6
0.08740470 0.27357600 0.37112300 # 79 O7
0.27875500 0.23158000 0.28990800 # 80 O8
0.06662340 0.17248500 0.63942600 # 81 O9
0.25081400 0.12010400 0.60207600 # 82 O10
0.98216900 0.27603300 0.79363800 # 83 O11
0.37993500 0.30743000 0.41289700 # 84 O12
0.97200700 0.07064290 0.71418300 # 85 O13
0.23914900 0.06633740 0.92325100 # 86 O14
0.13341600 0.18491600 0.97484600 # 87 O15
0.17339400 0.17579000 0.77733600 # 88 O16
0.10384500 0.49765800 0.97486500 # 89 O17
0.17771900 0.46679800 0.11147400 # 90 O18
0.11894000 0.64550900 0.15587600 # 91 O19
0.25970900 0.63417800 0.05806260 # 92 O20
0.07089580 0.37077700 0.56581100 # 93 O21
0.18144600 0.44078300 0.44432400 # 94 O22
0.09029430 0.57375400 0.43883600 # 95 O23
0.20640300 0.55503800 0.27430800 # 96 O24
0.11189700 0.41274800 0.73596400 # 97 O25
0.21889100 0.30919600 0.57592500 # 98 O26
0.21190300 0.41397300 0.84320200 # 99 O27
0.26631300 0.58391500 0.44717400 # 100 O28
0.33845800 0.37216600 0.80299900 # 101 O29
0.21730000 0.58838800 0.84676100 # 102 O30
0.95210800 0.66430700 0.92363300 # 103 O31
0.28740000 0.48424900 0.69971300 # 104 O32
0.18498700 0.87542500 0.98456700 # 105 O33
0.28917200 0.85395300 0.11923100 # 106 O34
0.06298900 0.96450600 0.07956700 # 107 O35
0.28594000 0.99019100 0.07570380 # 108 O36
0.09907480 0.79373000 0.17636000 # 109 O37
0.22926700 0.81533000 0.36770300 # 110 O38
0.12918800 0.90950300 0.26911900 # 111 O39
0.46825000 0.85642600 0.22659800 # 112 O40
0.02784800 0.68743100 0.51657600 # 113 O41
0.17414600 0.79665100 0.62273500 # 114 O42
0.02958690 0.90640300 0.62244000 # 115 O43
0.08037280 0.82998700 0.45228600 # 116 O44
0.02270910 0.72322600 0.68632000 # 117 O45
0.15312200 0.76965400 0.87122900 # 118 O46
0.04236540 0.93668200 0.80933000 # 119 O47
0.22806400 0.88390000 0.77158100 # 120 O48
0.53346900 0.16833700 0.01975730 # 121 O49
0.63539700 0.12356000 0.16008500 # 122 O50
0.53428400 0.40759500 0.20133000 # 123 O51
0.59649000 0.28243100 0.15030400 # 124 O52
0.49360500 0.00596702 0.32807000 # 125 O53
0.61444200 0.07438030 0.32985100 # 126 O54
0.43982900 0.19266100 0.27371200 # 127 O55
0.57567300 0.22560500 0.30835000 # 128 O56
0.42940200 0.09671500 0.47956000 # 129 O57
0.54569400 0.08362780 0.68617600 # 130 O58
0.40484900 0.21274400 0.57987300 # 131 O59
0.61175400 0.25725000 0.57275800 # 132 O60
0.47805900 0.19146300 0.79730100 # 133 O61
0.51032500 0.03819300 0.86021500 # 134 O62
0.38979900 0.11794200 0.94846300 # 135 O63
0.60804400 0.21878800 0.74187200 # 136 O64
0.42192700 0.40541500 0.01579670 # 137 O65
0.45195800 0.52696200 0.17654200 # 138 O66
0.43703800 0.71454600 0.19181100 # 139 O67
0.59579200 0.65077000 0.92014500 # 140 O68
0.38258600 0.35614500 0.22306700 # 141 O69
0.59063900 0.39770200 0.41743600 # 142 O70
0.43455200 0.57530700 0.43606600 # 143 O71
0.57696600 0.63910700 0.28571400 # 144 O72
0.42554100 0.36265400 0.60595400 # 145 O73
0.59756200 0.39021100 0.63645200 # 146 O74
0.49608200 0.49282900 0.56107100 # 147 O75
0.60053900 0.59841600 0.47902100 # 148 O76
0.52345300 0.37398800 0.86704300 # 149 O77
0.48363500 0.51861700 0.89881700 # 150 O78
0.42756600 0.53249900 0.74143100 # 151 O79
0.61907300 0.59751200 0.72166900 # 152 O80
0.33521300 0.68659100 0.85229400 # 153 O81
0.57452500 0.64978900 0.09335080 # 154 O82
0.50928900 0.78665500 0.05033060 # 155 O83
0.63461400 0.82181000 0.89171600 # 156 O84
0.33206000 0.75011400 0.00251379 # 157 O85
0.56394200 0.84806200 0.42115400 # 158 O86
0.39451200 0.86808300 0.39187400 # 159 O87
0.65320500 0.97464900 0.12925200 # 160 O88
0.34781100 0.73056200 0.47138000 # 161 O89
0.70414900 0.77477200 0.46648800 # 162 O90
0.29689500 0.87375500 0.54822300 # 163 O91
0.67839100 0.92527100 0.52397500 # 164 O92
0.33791100 0.61076100 0.61565900 # 165 O93
0.50472800 0.74473600 0.77689300 # 166 O94
0.35552700 0.80244900 0.69869800 # 167 O95
0.45506400 0.89587900 0.79493600 # 168 O96
0.71648700 0.02352120 0.90964900 # 169 O97
0.80103300 0.16216600 0.98645300 # 170 O98
0.77366200 0.29645100 0.07886680 # 171 O99
0.91983600 0.25045600 0.00358398 # 172 O100
0.81696200 0.13463300 0.21713100 # 173 O101
0.97113700 0.07620630 0.27860200 # 174 O102
0.86375200 0.17465000 0.41947800 # 175 O103
0.96070500 0.24171300 0.26936900 # 176 O104
0.76330300 0.08177590 0.51740500 # 177 O105
0.88972800 0.17906500 0.60999800 # 178 O106
0.74878700 0.26657300 0.54244000 # 179 O107
0.98451300 0.47607400 0.63767800 # 180 O108
0.60410800 0.91044400 0.75537900 # 181 O109
0.91157500 0.02267350 0.97890100 # 182 O110
0.65616500 0.31333700 0.94876800 # 183 O111
0.88976800 0.38347800 0.88912800 # 184 O112
0.74288400 0.43530300 0.01080840 # 185 O113
0.99379100 0.42483200 0.20180700 # 186 O114
0.92307600 0.54888000 0.08526800 # 187 O115
0.90762500 0.52782900 0.90244000 # 188 O116
0.70347400 0.41154300 0.30510600 # 189 O117
0.84479400 0.48332900 0.26598200 # 190 O118
0.72332300 0.58612200 0.31506300 # 191 O119
0.96360200 0.59473500 0.25965900 # 192 O120
0.76904200 0.44637000 0.52364700 # 193 O121
0.88082800 0.40472500 0.63281800 # 194 O122
0.75412000 0.58518600 0.63086500 # 195 O123
0.87466200 0.53608000 0.45734000 # 196 O124
0.69758900 0.40068000 0.81531000 # 197 O125
0.03634530 0.36012300 0.98040000 # 198 O126
0.77957600 0.55317300 0.91108300 # 199 O127
0.05176200 0.60417300 0.79827600 # 200 O128
0.75411300 0.73489100 0.03927640 # 201 O129
0.91074700 0.71726800 0.08215570 # 202 O130
0.77492700 0.01688440 0.05987770 # 203 O131
0.91767000 0.86782800 0.95501400 # 204 O132
0.69876500 0.76092600 0.27771900 # 205 O133
0.03989220 0.71431500 0.30274200 # 206 O134
0.74095900 0.97430600 0.34886200 # 207 O135
0.81398700 0.83211700 0.16831100 # 208 O136
0.83686700 0.81345900 0.36349100 # 209 O137
0.89287400 0.71133500 0.46962500 # 210 O138
0.64367700 0.72600800 0.62556600 # 211 O139
0.83930500 0.91273600 0.49518100 # 212 O140
0.74858900 0.83145900 0.76947000 # 213 O141
0.91644600 0.75612700 0.79863800 # 214 O142
0.76265000 0.87811700 0.96165500 # 215 O143
0.89703200 0.91395900 0.74269300 # 216 O144