vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 12 21 
  23:05:26 
 
 
  MT from job 1251 (LKU-53) GPU (test-2)
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
       2
        0.00001000
       -0.02000000
     100
       2
       1
      400.00000000
        1.11000000      0.77000000      0.73000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           17.15000000       0.04287500       0.00000000 
            0.04287500      17.15000000       0.00000000 
            0.00000000       0.00000000      17.15000000 
    
       5044.16934874 
    
            0.05830940      -0.00014577       0.00000000 
           -0.00014577       0.05830940       0.00000000 
            0.00000000       0.00000000       0.05830904 
    
   
   
           0.03992205       0.08624106       0.99523277 
           0.26306095       0.08594196       0.38439244 
           0.98391862       0.27535490       0.04009863 
           0.31116068       0.24034395       0.29476515 
           0.09912335       0.10568773       0.52508764 
           0.28108884       0.10478023       0.78470767 
           0.09558281       0.27207899       0.61877333 
           0.26975611       0.26914841       0.69927613 
           0.01771466       0.45967612       0.99160118 
           0.25343630       0.41569476       0.35860554 
           0.06787181       0.59664997       0.13007265 
           0.24540887       0.55322327       0.21931975 
           0.08628582       0.37567007       0.46280218 
           0.28897336       0.39868235       0.84116914 
           0.29645554       0.58182970       0.80816810 
           0.08064152       0.77267143       0.00295705 
           0.26194362       0.80336184       0.41135010 
           0.09856156       0.92608539       0.12801380 
           0.24110207       0.93200028       0.27124063 
           0.08604611       0.85093745       0.46523561 
           0.25847600       0.75942313       0.86225318 
           0.09384814       0.94366350       0.62537096 
           0.27100768       0.92509498       0.72160588 
           0.40280662       0.12265113       0.91516530 
           0.58209106       0.09300866       0.38142599 
           0.41167081       0.30508480       0.17173988 
           0.56827653       0.23661530       0.24960733 
           0.42394875       0.08479851       0.49169771 
           0.57614816       0.11880692       0.85246610 
           0.43859694       0.25281437       0.58286579 
           0.57182178       0.25490689       0.72519325 
           0.42119545       0.40804819       0.01920478 
           0.58220161       0.42843880       0.33000272 
           0.40740725       0.57638136       0.11761608 
           0.56796685       0.59293917       0.22672605 
           0.44603936       0.39958837       0.46070535 
           0.44552937       0.65159955       0.65996185 
           0.59891945       0.66314917       0.75008986 
           0.41910759       0.71081775       0.96831595 
           0.59743538       0.77238511       0.38418778 
           0.41512429       0.93103848       0.19439608 
           0.58265840       0.93197218       0.27402655 
           0.43570420       0.79556759       0.50253209 
           0.59654851       0.80394702       0.86148369 
           0.42908204       0.94111446       0.61833474 
           0.55902456       0.96224753       0.75888976 
           0.71952540       0.06711840       0.97485687 
           0.93115906       0.07662073       0.43902240 
           0.82043357       0.18967055       0.08687602 
           0.89707636       0.17446806       0.27149961 
           0.75311113       0.10479396       0.52261361 
           0.90141059       0.00873206       0.90822073 
           0.75966651       0.22534700       0.66672888 
           0.92719274       0.29249763       0.71533383 
           0.77353310       0.46781552       0.98924000 
           0.99115325       0.32176265       0.32536635 
           0.70758521       0.61546116       0.08973768 
           0.97949943       0.60102468       0.30106866 
           0.89187312       0.47639895       0.83928877 
           0.72082765       0.70794856       0.64709069 
           0.87050413       0.65709321       0.75462988 
           0.73641501       0.79142984       0.98134324 
           0.93508048       0.76246680       0.39653755 
           0.69700645       0.94812983       0.11762263 
           0.83730768       0.78233936       0.25132969 
           0.76835013       0.77299808       0.49505728 
           0.91334934       0.77451430       0.89075639 
           0.79545721       0.91967768       0.62279963 
           0.94384640       0.93003564       0.74271821 
           0.07995054       0.03305615       0.09057894 
           0.05278385       0.19913580       0.00099778 
           0.23540213       0.31655832       0.31358731 
           0.18808080       0.12495176       0.45906671 
           0.33947005       0.29270056       0.61725506 
           0.99423963       0.53149712       0.07334115 
           0.16226332       0.53728684       0.14569379 
           0.16514021       0.44111366       0.42378815 
           0.99975762       0.48918248       0.53534763 
           0.23297059       0.67392051       0.79053664 
           0.37621677       0.59042701       0.72568626 
           0.98851969       0.49590451       0.89103288 
           0.08471821       0.70146385       0.09058638 
           0.28114991       0.86350624       0.81634521 
           0.18353770       0.89428868       0.66298493 
           0.17782606       0.75692913       0.94734672 
           0.61156484       0.33594213       0.27527344 
           0.67220591       0.28896733       0.68396159 
           0.49974698       0.17022105       0.90945574 
           0.59243811       0.66835507       0.32471583 
           0.33957077       0.42419784       0.43150175 
           0.37952415       0.39354408       0.91187497 
           0.40237929       0.71515618       0.57524785 
           0.51448162       0.75122942       0.90674150 
           0.92434627       0.08399199       0.32748714 
           0.89197270       0.14837752       0.15974922 
           0.85574302       0.13538760       0.49128345 
           0.67986333       0.11745249       0.43292861 
           0.74147201       0.00748496       0.57799907 
           0.89846541       0.36952222       0.79731876 
           0.79210967       0.02159471       0.90660355 
           0.68614985       0.40770757       0.44859863 
           0.85651477       0.54813771       0.76172307 
           0.68775272       0.69601896       0.01540421 
           0.90953485       0.83223570       0.31809019 
           0.73747622       0.85406275       0.07479033 
           0.95661097       0.83877580       0.80660985 
           0.39733499       0.24295441       0.35880690 
           0.20305870       0.12341956       0.85673876 
           0.20074004       0.37322812       0.89907690 
           0.27580958       0.57159643       0.91688808 
           0.08119281       0.92222557       0.38378932 
           0.41401358       0.39806922       0.22514965 
           0.44654366       0.61124405       0.92534664 
           0.43272745       0.92420229       0.09043444 
           0.90828872       0.97518484       0.47078547 
           0.76271353       0.27696732       0.10838249 
           0.92794971       0.93296872       0.98125534 
           0.77885297       0.15170922       0.74462264 
           0.03281259       0.38430183       0.24725025 
           0.88637648       0.54796125       0.28460094 
           0.64482071       0.78565680       0.62864194 
           0.88868408       0.75921208       0.15775266 
           0.74967210       0.89028787       0.71724302 
           0.25811169       0.69725441       0.39362767 
           0.47498449       0.47857822       0.52845681 
           0.77317052       0.99268327       0.18139467 
           0.80232450       0.22021434       0.29881332 
           0.66554994       0.40255600       0.89571310 
           0.27255336       0.15307942       0.31589425 
           0.33738530       0.24920796       0.20108769 
           0.02123677       0.09932479       0.46917420 
           0.10616091       0.03034170       0.58473363 
           0.27877373       0.17583026       0.72049899 
           0.08950327       0.18329377       0.58261199 
           0.29085429       0.32755960       0.77306609 
           0.17451272       0.28045815       0.67362665 
           0.95253957       0.08136339       0.95123301 
           0.98102187       0.36525309       0.00588607 
           0.25247395       0.48219995       0.28601648 
           0.32876116       0.56509537       0.17359114 
           0.05631494       0.31215947       0.39633326 
           0.10946598       0.33177886       0.54433705 
           0.27987037       0.48335886       0.79245732 
           0.00582144       0.42871894       0.47807178 
           0.25040197       0.85481902       0.32771341 
           0.09698480       0.86016471       0.05567624 
           0.23865843       0.00806515       0.32931778 
           0.32847434       0.93646775       0.22457950 
           0.17622857       0.92771037       0.19735726 
           0.18077741       0.82196816       0.46407816 
           0.01441594       0.78572464       0.44886192 
           0.06602502       0.88542129       0.55249252 
           0.26738252       0.01887620       0.74475929 
           0.34624621       0.91690354       0.65962961 
           0.99278207       0.76750988       0.95324423 
           0.56403658       0.16833903       0.32099941 
           0.48966252       0.25024011       0.19491292 
           0.50428122       0.07839867       0.43690131 
           0.34656403       0.07207498       0.43310614 
           0.42298529       0.01779781       0.56042708 
           0.59428125       0.16707168       0.77151918 
           0.42126420       0.16926066       0.53525107 
           0.53556217       0.31405310       0.78511868 
           0.51033915       0.23955863       0.64494503 
           0.36660934       0.10468965       0.82764465 
           0.40113486       0.33119307       0.07866965 
           0.57426346       0.50687133       0.27292374 
           0.41023688       0.49114457       0.06829901 
           0.63678024       0.60279558       0.15715547 
           0.48333695       0.58887435       0.18048083 
           0.50537227       0.40694237       0.38396733 
           0.45949211       0.31720546       0.51120549 
           0.59125514       0.58614094       0.80637283 
           0.63393578       0.73622435       0.80049908 
           0.66153267       0.63882985       0.67991877 
           0.51444664       0.69240030       0.71462350 
           0.51622418       0.40383750       0.00336707 
           0.40102890       0.65279853       0.06334892 
           0.59979989       0.85225449       0.32499246 
           0.59497460       0.01211477       0.32501727 
           0.62382376       0.93465210       0.18580842 
           0.48510113       0.92880297       0.25470331 
           0.51549036       0.77987906       0.44247553 
           0.35154643       0.81797856       0.45162364 
           0.57124204       0.88012502       0.80702646 
           0.45693681       0.87042373       0.55889189 
           0.54582486       0.03066578       0.82488732 
           0.49100931       0.95442246       0.69063862 
           0.33862783       0.73815748       0.91171159 
           0.67926985       0.01094836       0.04419283 
           0.77185631       0.13320594       0.02869803 
           0.96898016       0.23799805       0.28408319 
           0.73717604       0.17731644       0.58520532 
           0.01239171       0.29790022       0.66413215 
           0.84731785       0.27579474       0.66143606 
           0.65232484       0.10503988       0.91710366 
           0.83313019       0.43467662       0.05700819 
           0.72700723       0.53988423       0.03171192 
           0.95901018       0.68098530       0.35151406 
           0.02480081       0.61570027       0.21664857 
           0.91049826       0.35767962       0.36359956 
           0.65474469       0.45478701       0.38767863 
           0.89154251       0.69313203       0.84231234 
           0.94943298       0.67377332       0.70069373 
           0.79714844       0.70238716       0.70832521 
           0.82407719       0.48716918       0.90966219 
           0.71201036       0.39851510       0.96537688 
           0.85085949       0.75461723       0.44675761 
           0.68498273       0.77784582       0.43743714 
           0.75673794       0.69912475       0.55679432 
           0.78913477       0.85179184       0.54962941 
           0.92657618       0.99623807       0.81372399 
           0.02869424       0.94684263       0.69751922 
           0.88454577       0.93330066       0.66469528 
           0.82887578       0.78831118       0.94203287 
           0.67458631       0.82728908       0.91596271 
           0.98712972       0.28007904       0.12631610 
           0.09606952       0.05694570       0.93688703 
           0.22991273       0.62631653       0.26219866 
           0.01286990       0.46663234       0.59405754 
           0.10261208       0.44504698       0.99380573 
           0.93958066       0.51121264       0.53452564 
           0.40791675       0.04701503       0.95890862 
           0.34658239       0.17312597       0.95922039 
           0.62533782       0.19985345       0.19497886 
           0.48756689       0.58955568       0.61702883 
           0.41143479       0.77902962       0.02456911 
           0.62980667       0.98322640       0.71527341 
           0.89699116       0.24075538       0.02745406 
           0.94033531       0.22202703       0.76464419 
           0.03562630       0.55696544       0.35082570 
           0.77840545       0.62752553       0.13820117 
           0.70911199       0.44659218       0.49415663 
           0.73463585       0.37160700       0.42648531 
           0.76806092       0.83380174       0.24020342 
           0.03279566       0.90592106       0.18089000 
           0.80544497       0.70940868       0.28645808 
           0.05342613       0.05915265       0.14339185 
           0.10919823       0.21244638       0.02938363 
           0.19061114       0.28952855       0.35095287 
           0.16381967       0.17498818       0.42601280 
           0.35036986       0.35589476       0.62423295 
           0.94727230       0.57031822       0.05249358 
           0.14131112       0.47672500       0.15294596 
           0.13117602       0.48370176       0.38913529 
           0.17037145       0.66193993       0.80009104 
           0.33935939       0.56070258       0.68115882 
           0.03549057       0.47697840       0.85113041 
           0.05003839       0.73413293       0.13398969 
           0.34376995       0.86807136       0.83154356 
           0.15875799       0.84349080       0.69412657 
           0.18116811       0.69283337       0.95602243 
           0.62717740       0.35579169       0.21572488 
           0.66025050       0.32012838       0.62883270 
           0.49400449       0.22768059       0.88003680 
           0.65369729       0.64870408       0.33100963 
           0.34263209       0.48861259       0.43796895 
           0.39811159       0.33206916       0.90347984 
           0.37544326       0.66838195       0.53962044 
           0.54826108       0.69668581       0.91342894 
           0.98094527       0.06376879       0.30411488 
           0.88760453       0.08456733       0.15601562 
           0.85036919       0.19526704       0.46846526 
           0.72006322       0.10565212       0.38367163 
           0.69821806       0.97522481       0.54245994 
           0.92856201       0.34021908       0.84658485 
           0.77969102       0.05295717       0.85180682 
           0.79288480       0.53725005       0.76189140 
           0.67590502       0.66240281       0.96164699 
           0.88399261       0.88561902       0.34247089 
           0.72373722       0.80994153       0.11964766 
           0.97386153       0.79078066       0.76706234 
           0.13861231       0.06066601       0.08823061 
           0.06145994       0.21256148       0.93847424 
           0.20592923       0.32789334       0.25752857 
           0.22932325       0.15238017       0.50065755 
           0.30534056       0.28808745       0.56262901 
           0.96639449       0.49758138       0.12053087 
           0.19104280       0.53741790       0.08785253 
           0.18748941       0.47525326       0.47368100 
           0.23851370       0.69486446       0.72999501 
           0.41862455       0.54396832       0.74071118 
           0.99400964       0.56006070       0.89559999 
           0.14564286       0.71280316       0.10924797 
           0.25247859       0.90253927       0.85928082 
           0.20946125       0.86900333       0.60966273 
           0.21556114       0.77904883       0.99513232 
           0.66858289       0.32166658       0.30201308 
           0.68790660       0.33491086       0.72631828 
           0.51951956       0.18065345       0.96974586 
           0.56116712       0.63317126       0.36889543 
           0.30867030       0.40657438       0.48561109 
           0.42554090       0.42583812       0.88001275 
           0.35183701       0.74753060       0.59936828 
           0.48345860       0.74057588       0.85072026 
           0.88200721       0.03809923       0.31121173 
           0.95128653       0.16189728       0.13863674 
           0.88190877       0.14382270       0.54979005 
           0.67634549       0.18204353       0.43348549 
           0.70655104       0.02821416       0.62829877 
           0.83738546       0.34850699       0.80266634 
           0.77087358       0.96161705       0.89522006 
           0.87696992       0.52609811       0.70472816 
           0.63054697       0.72184482       0.03109491 
           0.96084886       0.84882394       0.28332684 
           0.80007630       0.86564638       0.08504214 
           0.01256832       0.85710101       0.83327538 
           0.37873498       0.24464112       0.41989364 
           0.43063629       0.18901841       0.35083804 
           0.43719123       0.29178776       0.34909186 
           0.20875756       0.18246358       0.88108764 
           0.14538021       0.11808282       0.82927852 
           0.20625456       0.08153492       0.90502053 
           0.19525777       0.41104625       0.95023696 
           0.14675018       0.37613889       0.86459916 
           0.20802753       0.31303834       0.92029044 
           0.30143579       0.51965402       0.94384715 
           0.28715739       0.62168271       0.95439660 
           0.21198078       0.56191257       0.91440722 
           0.02295232       0.94549434       0.37291838 
           0.12096929       0.97122434       0.39358657 
           0.09939322       0.89174929       0.33031621 
           0.36359209       0.43281883       0.20729354 
           0.41322686       0.39281937       0.28859855 
           0.46591718       0.43182197       0.20879578 
           0.40659360       0.56479169       0.94161534 
           0.45349095       0.61269837       0.86178172 
           0.50374632       0.59457084       0.94931439 
           0.42214363       0.86255734       0.07061210 
           0.39243054       0.96203744       0.05797829 
           0.49338189       0.93966698       0.07711513 
           0.94410729       0.92809540       0.44773817 
           0.91466738       0.97338613       0.53458596 
           0.84706900       0.96194378       0.45705943 
           0.71400741       0.25716036       0.14544185 
           0.79537803       0.32265080       0.13892502 
           0.73782078       0.30180822       0.05467889 
           0.98978221       0.91697894       0.97918266 
           0.89236330       0.88036304       0.98269537 
           0.91835938       0.96258522       0.03757572 
           0.83274754       0.11881426       0.73340522 
           0.78456866       0.18034282       0.80179454 
           0.72909914       0.11155861       0.74780404 
           0.05484168       0.43958363       0.27097216 
           0.08134543       0.35450022       0.21782228 
           0.98812618       0.39785420       0.20338484 
           0.85017476       0.57784817       0.24090715 
           0.89631050       0.48798931       0.26446608 
           0.85255382       0.54465871       0.33902314 
           0.66255068       0.83838188       0.59789926 
           0.60626012       0.75315470       0.58868853 
           0.60926685       0.80226865       0.67877001 
           0.91540884       0.81161651       0.13219483 
           0.93572498       0.71781911       0.17108169 
           0.85114751       0.73192845       0.11382703 
           0.78231992       0.84060475       0.74117986 
           0.75987998       0.94041646       0.75605746 
           0.68808174       0.87651018       0.71976338 
           0.20257785       0.67961425       0.36728059 
           0.30593318       0.67651893       0.35651506 
           0.26275274       0.66820701       0.45071664 
           0.53505979       0.47002032       0.54921357 
           0.47196648       0.53604943       0.50027462 
           0.43705065       0.47961064       0.58007937 
           0.77901292       0.95881243       0.23541316 
           0.83017992       0.99274556       0.15229088 
           0.75708752       0.05272837       0.19707349 
           0.79790908       0.23040356       0.36174224 
           0.79790027       0.27740920       0.27025764 
           0.75231557       0.18461010       0.28020137 
           0.92269855       0.38989752       0.40948312 
           0.64191692       0.36928817       0.47527261 
           0.03949220       0.53792532       0.52191406 
           0.93990988       0.69170054       0.64783612 
           0.59037889       0.53507823       0.78187465 
           0.53245587       0.37531453       0.95710257 
           0.87649963       0.40358422       0.03713715 
           0.62229066       0.44974496       0.90017826 
           0.70254385       0.41319365       0.84419124 
           0.63511580       0.34691802       0.88667160 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
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          20 
          21 
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          25 
          26 
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          29 
          30 
          31 
          32 
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          35 
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         142 
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         144 
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         150 
         151 
         152 
         153 
         154 
         155 
         156 
         157 
         158 
         159 
         160 
         161 
         162 
         163 
         164 
         165 
         166 
         167 
         168 
         169 
         170 
         171 
         172 
         173 
         174 
         175 
         176 
         177 
         178 
         179 
         180 
         181 
         182 
         183 
         184 
         185 
         186 
         187 
         188 
         189 
         190 
         191 
         192 
         193 
         194 
         195 
         196 
         197 
         198 
         199 
         200 
         201 
         202 
         203 
         204 
         205 
         206 
         207 
         208 
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         210 
         211 
         212 
         213 
         214 
         215 
         216 
         217 
         218 
         219 
         220 
         221 
         222 
         223 
         224 
         225 
         226 
         227 
         228 
         229 
         230 
         231 
         232 
         233 
         234 
         235 
         236 
         237 
         238 
         239 
         240 
         241 
         242 
         243 
         244 
         245 
         246 
         247 
         248 
         249 
         250 
         251 
         252 
         253 
         254 
         255 
         256 
         257 
         258 
         259 
         260 
         261 
         262 
         263 
         264 
         265 
         266 
         267 
         268 
         269 
         270 
         271 
         272 
         273 
         274 
         275 
         276 
         277 
         278 
         279 
         280 
         281 
         282 
         283 
         284 
         285 
         286 
         287 
         288 
         289 
         290 
         291 
         292 
         293 
         294 
         295 
         296 
         297 
         298 
         299 
         300 
         301 
         302 
         303 
         304 
         305 
         306 
         307 
         308 
         309 
         310 
         311 
         312 
         313 
         314 
         315 
         316 
         317 
         318 
         319 
         320 
         321 
         322 
         323 
         324 
         325 
         326 
         327 
         328 
         329 
         330 
         331 
         332 
         333 
         334 
         335 
         336 
         337 
         338 
         339 
         340 
         341 
         342 
         343 
         344 
         345 
         346 
         347 
         348 
         349 
         350 
         351 
         352 
         353 
         354 
         355 
         356 
         357 
         358 
         359 
         360 
         361 
         362 
         363 
         364 
         365 
         366 
         367 
         368 
         369 
         370 
         371 
         372 
         373 
         374 
         375 
         376 
         377 
         378 
         379 
         380 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000      -0.00000000       0.00000000 
        -0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   MT from job 1251 (LKU-53) GPU (test-2)
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
      796
       -1
       -1
      1204.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000

         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000000
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       84
       84
       84
      168
      168
      168
    F  
  
  
      100
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      100
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.77000000      0.73000000      0.32000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     12.01100000     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
         7.96447792
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       380 
         4 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    C    2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      69Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      59C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      88O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
     164H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          17.15000000       0.04287500       0.00000000 
           0.04287500      17.15000000       0.00000000 
           0.00000000       0.00000000      17.15000000 
   
      5044.16934874 
   
           0.05830940      -0.00014577       0.00000000 
          -0.00014577       0.05830940       0.00000000 
           0.00000000       0.00000000       0.05830904 
   
  
  
          0.03992205       0.08624106       0.99523277 
          0.26306095       0.08594196       0.38439244 
          0.98391862       0.27535490       0.04009863 
          0.31116068       0.24034395       0.29476515 
          0.09912335       0.10568773       0.52508764 
          0.28108884       0.10478023       0.78470767 
          0.09558281       0.27207899       0.61877333 
          0.26975611       0.26914841       0.69927613 
          0.01771466       0.45967612       0.99160118 
          0.25343630       0.41569476       0.35860554 
          0.06787181       0.59664997       0.13007265 
          0.24540887       0.55322327       0.21931975 
          0.08628582       0.37567007       0.46280218 
          0.28897336       0.39868235       0.84116914 
          0.29645554       0.58182970       0.80816810 
          0.08064152       0.77267143       0.00295705 
          0.26194362       0.80336184       0.41135010 
          0.09856156       0.92608539       0.12801380 
          0.24110207       0.93200028       0.27124063 
          0.08604611       0.85093745       0.46523561 
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          0.63511580       0.34691802       0.88667160 
  
 
 
  
   
   
   
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           0.63539802       0.34701561       0.88681198 
   
  
  
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         -0.00231008      -0.00610626      -0.00503973 
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          0.00477147       0.00350408      -0.00633985 
          0.00529744      -0.00156369      -0.00389675 
         -0.00089133      -0.00359478       0.00125333 
          0.00066449      -0.00142180       0.00180629 
         -0.00102126      -0.00291598       0.00280638 
          0.00430615      -0.00250351       0.00094667 
         -0.00147626       0.00051414       0.00387091 
         -0.00195642      -0.00112810       0.00599215 
         -0.00425955       0.00269505       0.00372364 
          0.00602795      -0.00301636       0.00002815 
          0.00412251       0.00190300      -0.00212025 
         -0.00205882       0.00184725      -0.00175828 
         -0.00058709       0.00086058      -0.00017625 
         -0.00308848       0.00186464      -0.00009022 
          0.00000320      -0.00041767       0.00123258 
         -0.00257834       0.00077534       0.00072501 
          0.00054344       0.00181000      -0.00082956 
          0.00760354       0.00067098       0.00059845 
          0.00110028      -0.00209501       0.00061671 
         -0.00123036      -0.00141025       0.00116309 
         -0.00855739       0.00548209       0.00446488 
          0.00441313       0.00006427      -0.00223212 
         -0.00464557      -0.00680819      -0.00538361 
         -0.00111139      -0.00464877       0.00446047 
         -0.00146095      -0.00194922       0.00052461 
         -0.00119569       0.00191976      -0.00144179 
          0.00315991      -0.00069943      -0.00407098 
         -0.00112060       0.00103402      -0.00000809 
         -0.00115206      -0.00540382       0.00009207 
          0.00013209       0.00423745       0.00402702 
         -0.00271379      -0.00000286       0.00001832 
          0.00214586       0.00185323      -0.00220388 
         -0.00312570      -0.00128741       0.00319734 
         -0.00133711      -0.00004606      -0.00125978 
         -0.00052518      -0.00115464       0.00086557 
         -0.00074384       0.00253021       0.00087009 
         -0.00009630      -0.00347880       0.00441621 
          0.00377668       0.00126813       0.00106598 
          0.00328163       0.00249110       0.00123878 
         -0.00253377       0.00449427       0.00304979 
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         -0.00364214      -0.00002288      -0.00058423 
         -0.00197675      -0.00476313      -0.00146629 
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         -0.00377061      -0.00077082      -0.00203070 
          0.00044173       0.00047251      -0.00174179 
         -0.00129374       0.00191020      -0.00147185 
         -0.00168327      -0.00056659      -0.00360265 
          0.00336521       0.00183881      -0.00081739 
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         -0.00557402      -0.00393434      -0.00224988 
          0.00201165       0.00386164      -0.00116210 
          0.00202056       0.00039644      -0.00091698 
         -0.00236914      -0.00151634       0.00112815 
         -0.00428581      -0.00043487       0.00006214 
         -0.00776996       0.00335273      -0.00015442 
          0.00219436       0.00270354      -0.00266427 
         -0.00153476      -0.00427698       0.00078924 
          0.00044708       0.00025296      -0.00230354 
         -0.00427541       0.00134179       0.00144645 
         -0.00356137       0.00073308      -0.00661977 
          0.00374235       0.00036059      -0.00133152 
         -0.00543988      -0.00062466       0.00191469 
          0.00176117      -0.00511174       0.00032572 
          0.00209302      -0.00065014       0.00091850 
         -0.00147194      -0.00058859       0.00312098 
          0.00227398       0.00078347       0.00072699 
          0.00044041      -0.00055876      -0.00168065 
         -0.00087698      -0.00160910      -0.00193281 
          0.00280835      -0.00245833      -0.00349546 
         -0.00168427       0.00259126       0.00211227 
          0.00212007      -0.00150292      -0.00047819 
          0.00437510       0.00394703      -0.00066313 
         -0.00054646       0.00070739       0.00042068 
          0.00242727       0.00101987       0.00166506 
         -0.00203566       0.00623922      -0.00046767 
          0.00535175       0.00222481      -0.00139781 
         -0.00047323      -0.00098863       0.00003585 
          0.00124101      -0.00171745      -0.00197794 
         -0.00049416       0.00257060       0.00423894 
          0.00225043       0.00034278       0.00230191 
          0.00336257       0.00233324       0.00287949 
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          0.00278754       0.00645601      -0.00192353 
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         -0.00205815       0.00496799      -0.00272475 
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          0.00912071       0.00353186       0.00019268 
          0.00450486      -0.00242148      -0.00042904 
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          0.00313515       0.00134514      -0.00156399 
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         -0.00100162       0.00166698       0.00124353 
         -0.00347312      -0.00240829       0.00319519 
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         -0.00471310      -0.00057677       0.00041058 
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         -0.00163343       0.00349254       0.00133931 
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          0.00380906       0.00111904      -0.00081791 
         -0.00688487       0.00299519       0.00163803 
         -0.00001996       0.00498673       0.00023218 
          0.00001430      -0.00102160       0.00042153 
         -0.00248341      -0.00011921       0.00251776 
         -0.00241710      -0.00074200      -0.00083442 
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          0.00100258       0.00211965      -0.00018299 
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          0.00095845       0.00098614       0.00230123 
         -0.00108648      -0.00284680      -0.00179646 
         -0.00362958      -0.00294109      -0.00479654 
          0.00838021       0.00268749       0.00352498 
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          0.00559848       0.00354809      -0.00208541 
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         -0.00470513       0.00190340      -0.00101690 
          0.00092048       0.00012160      -0.00066338 
          0.00177319      -0.00060826      -0.00011619 
         -0.00144809       0.00088967       0.00377520 
         -0.00303123      -0.00338902       0.00154784 
         -0.00269865       0.00406323      -0.00174327 
          0.00067716      -0.00411118      -0.00076766 
         -0.00040845      -0.00610031       0.00269991 
          0.00493319       0.00018053      -0.00156760 
          0.00343199       0.00206188      -0.00241167 
          0.00218242      -0.00183355      -0.00340877 
         -0.00642959       0.00031881      -0.00080946 
         -0.00088642      -0.00223817       0.00134634 
         -0.00217818      -0.00231283       0.00155789 
          0.00212593       0.00157064      -0.00130863 
         -0.00056999       0.00477982      -0.00298178 
          0.00262958      -0.00264145      -0.00248341 
          0.00171872       0.00198245      -0.00277590 
          0.00076217      -0.00094323       0.00415790 
          0.00204586       0.00203003       0.00430733 
          0.00496955       0.00237679       0.00297621 
          0.00141311       0.00193284      -0.00097921 
          0.00480282       0.00221562      -0.00372789 
          0.00151535      -0.00101818      -0.00290829 
          0.00007812      -0.00332919      -0.00185666 
         -0.00157863      -0.00485061      -0.00271094 
          0.00718048      -0.00299693      -0.00314702 
          0.00329912      -0.00567001      -0.00029380 
         -0.00342739      -0.00084292       0.00649735 
         -0.00229810      -0.00278191      -0.00026291 
  
  
        -62.47768471       0.11539450      -8.55929309 
          0.11539457     -51.25646163       3.08789443 
         -8.55929303       3.08789443     -72.33704151 
  
  
     -2279.36872672 
     -2279.39239679 
     -2279.37661675 
  
  
  
   
    band
    kpoint
    spin
    eigene
    occ
    
     
      
         -21.6497    1.0000 
         -21.2128    1.0000 
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