#xPSV-1
# ATOM NAME: O 
#     FOR Orc1.0   ATOM  : STFFNESS = 0.86964362671964
 PBE
   6.00000000000000        8.00000000000000     
    5  2
    1    1    1    1
    1
      6339    0.100347475114999E+01
       0.45116500       2.64413346       0.54883500       2.64604129
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  ### NON-LOCAL POTENTIAL PARAMETERS ### 
    6339    0.5000000000E-06    0.1003474751E+01    0.5011461623E-06
 ### L= 0 K= -1 :    EIGEN ENERGY=       -0.8805473631
  0.131705782234E+00
 -0.676630577924E-01
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.880547363144120     
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  0.939365711997E+00  0.939365711997E+00  0.328242794283E-14  0.1003E+01
 ### L= 1 K=  1 :    EIGEN ENERGY=       -0.3327440355
 -0.438101688700E+00
  0.660744469626E-01
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.332744035472773     
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  0.821848842788E+00  0.821848842788E+00 -0.862430949817E-14  0.1003E+01
 ### L= 1 K= -2 :    EIGEN ENERGY=       -0.3314010930
 -0.436338859599E+00
  0.656977725288E-01
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.331401092966265     
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  0.821542857700E+00  0.821542857700E+00 -0.838026329032E-14  0.1003E+01
 ### L= 2 K=  2 :    EIGEN ENERGY=       -0.3320000000
 -0.291338198112E+00
  0.149756281399E-01
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.332000000000000     
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 ### L= 2 K= -3 :    EIGEN ENERGY=       -0.3320000000
 -0.290549084885E+00
  0.149814258982E-01
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.332000000000000     
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  0.166474525686E+01  0.166406033174E+01  0.115998317127E+01  0.8647E+00
  0.167316862472E+01  0.167252418132E+01  0.113086466606E+01  0.8667E+00
  0.168163478155E+01  0.168102915944E+01  0.110177085464E+01  0.8687E+00
  0.169014396789E+01  0.168957553804E+01  0.107271631657E+01  0.8707E+00
  0.169869642593E+01  0.169816359141E+01  0.104371590758E+01  0.8727E+00
  0.170729239951E+01  0.170679359610E+01  0.101478475383E+01  0.8747E+00
  0.171593213413E+01  0.171546583100E+01  0.985938245408E+00  0.8767E+00
  0.172461587693E+01  0.172418057725E+01  0.957192029119E+00  0.8787E+00
  0.173334387678E+01  0.173293811824E+01  0.928562000537E+00  0.8807E+00
  0.174211638422E+01  0.174173873961E+01  0.900064295200E+00  0.8827E+00
  0.175093365150E+01  0.175058272920E+01  0.871715278971E+00  0.8847E+00
  0.175979593261E+01  0.175947037706E+01  0.843531537492E+00  0.8868E+00
  0.176870348326E+01  0.176840197537E+01  0.815529864694E+00  0.8888E+00
  0.177765656091E+01  0.177737781848E+01  0.787727250310E+00  0.8908E+00
  0.178665542481E+01  0.178639820283E+01  0.760140866345E+00  0.8929E+00
  0.179570033595E+01  0.179546342697E+01  0.732788052436E+00  0.8949E+00
  0.180479155715E+01  0.180457379148E+01  0.705686300070E+00  0.8970E+00
  0.181392935300E+01  0.181372959897E+01  0.678853235581E+00  0.8990E+00
  0.182311398994E+01  0.182293115404E+01  0.652306601878E+00  0.9011E+00
  0.183234573622E+01  0.183217876326E+01  0.626064238836E+00  0.9032E+00
  0.184162486196E+01  0.184147273510E+01  0.600144062289E+00  0.9052E+00
  0.185095163912E+01  0.185081337994E+01  0.574564041550E+00  0.9073E+00
  0.186032634155E+01  0.186020101001E+01  0.549342175403E+00  0.9094E+00
  0.186974924500E+01  0.186963593933E+01  0.524496466471E+00  0.9115E+00
  0.187922062710E+01  0.187911848372E+01  0.500044893898E+00  0.9136E+00
  0.188874076743E+01  0.188864896074E+01  0.476005384271E+00  0.9157E+00
  0.189830994748E+01  0.189822768962E+01  0.452395780678E+00  0.9178E+00
  0.190792845072E+01  0.190785499129E+01  0.429233809839E+00  0.9199E+00
  0.191759656256E+01  0.191753118824E+01  0.406537047203E+00  0.9220E+00
  0.192731457040E+01  0.192725660459E+01  0.384322879924E+00  0.9241E+00
  0.193708276364E+01  0.193703156595E+01  0.362608467629E+00  0.9262E+00
  0.194690143369E+01  0.194685639946E+01  0.341410700853E+00  0.9283E+00
  0.195677087401E+01  0.195673143369E+01  0.320746157066E+00  0.9304E+00
  0.196669138006E+01  0.196665699861E+01  0.300631054152E+00  0.9326E+00
  0.197666324939E+01  0.197663342557E+01  0.281081201258E+00  0.9347E+00
  0.198668678163E+01  0.198666104727E+01  0.262111946872E+00  0.9369E+00
  0.199676227849E+01  0.199674019765E+01  0.243738124017E+00  0.9390E+00
  0.200689004379E+01  0.200687121195E+01  0.225973992434E+00  0.9412E+00
  0.201707038348E+01  0.201705442659E+01  0.208833177624E+00  0.9433E+00
  0.202730360565E+01  0.202729017918E+01  0.192328606612E+00  0.9455E+00
  0.203759002055E+01  0.203757880848E+01  0.176472440281E+00  0.9476E+00
  0.204792994060E+01  0.204792065435E+01  0.161276002150E+00  0.9498E+00
  0.205832368042E+01  0.205831605774E+01  0.146749703423E+00  0.9520E+00
  0.206877155684E+01  0.206876536066E+01  0.132902964159E+00  0.9542E+00
  0.207927388891E+01  0.207926890614E+01  0.119744130406E+00  0.9564E+00
  0.208983099792E+01  0.208982703823E+01  0.107280387113E+00  0.9586E+00
  0.210044320745E+01  0.210044010200E+01  0.955176666565E-01  0.9608E+00
  0.211111084334E+01  0.211110844345E+01  0.844605527946E-01  0.9630E+00
  0.212183423371E+01  0.212183240963E+01  0.741121798556E-01  0.9652E+00
  0.213261370903E+01  0.213261234850E+01  0.644741269699E-01  0.9674E+00
  0.214344960209E+01  0.214344860906E+01  0.555463071364E-01  0.9696E+00
  0.215434224803E+01  0.215434154126E+01  0.473268509163E-01  0.9718E+00
  0.216529198436E+01  0.216529149609E+01  0.398119845324E-01  0.9740E+00
  0.217629915098E+01  0.217629882556E+01  0.329959021480E-01  0.9763E+00
  0.218736409021E+01  0.218736388277E+01  0.268706320913E-01  0.9785E+00
  0.219848714678E+01  0.219848702190E+01  0.214258967798E-01  0.9808E+00
  0.220966866788E+01  0.220966859835E+01  0.166489660947E-01  0.9830E+00
  0.222090900316E+01  0.222090896870E+01  0.125245039409E-01  0.9853E+00
  0.223220850476E+01  0.223220849087E+01  0.903440772506E-02  0.9875E+00
  0.224356752731E+01  0.224356752417E+01  0.615764046848E-02  0.9898E+00
  0.225498642798E+01  0.225498642940E+01  0.387005526469E-02  0.9921E+00
  0.226646556649E+01  0.226646556898E+01  0.214421178113E-02  0.9943E+00
  0.227800530510E+01  0.227800530705E+01  0.949184491985E-03  0.9966E+00
  0.228960600868E+01  0.228960600967E+01  0.250362317977E-03  0.9989E+00
  0.230126804469E+01  0.230126804495E+01  0.923933904433E-05  0.1001E+01
  0.231299178322E+01  0.231299178322E+01 -0.121195698762E-13  0.1003E+01
  #### DATA OF PSEUDO CORE ###
          15
    1    1    1    1
    1
    1    5 6339       0.100347475115E+01
      -0.120123277862E+01       0.315239156837E+01      -0.228368523509E+01
      -0.851065863399E-01       0.417632494937E+00
    2    1    1    1
    1
    2    5 6339       0.100347475115E+01
      -0.251194155649E+00       0.754314583781E-01       0.126165890593E+01
      -0.174496827765E+01       0.659071763210E+00
    2    1    2    1
    2
    1    5 6339       0.100347475115E+01
       0.117303085095E+01      -0.307837614006E+01       0.223004396201E+01
       0.831449311449E-01      -0.407843080411E+00
    3    5 6339       0.100347475115E+01
      -0.197835864979E+00       0.611248367978E+01      -0.170400492447E+02
       0.165347539687E+02      -0.540935078073E+01
    2    1    1    1
    1
    2    5 6339       0.100347475115E+01
      -0.251178866145E+00       0.753748159595E-01       0.126176746092E+01
      -0.174507619917E+01       0.659112484097E+00
    2    1    2    1
    2
    1    5 6339       0.100347475115E+01
       0.116968022119E+01      -0.306959608390E+01       0.222373925082E+01
       0.828164178181E-01      -0.406639282520E+00
    3    5 6339       0.100347475115E+01
      -0.197354086805E+00       0.609784484081E+01      -0.169992607751E+02
       0.164951649749E+02      -0.539639319862E+01
    2    1    2    1
    2
    1    5 6339       0.100347475115E+01
       0.116633905472E+01      -0.306084085264E+01       0.221745248224E+01
       0.824886423461E-01      -0.405438803488E+00
    3    5 6339       0.100347475115E+01
      -0.196873403965E+00       0.608323966167E+01      -0.169585661251E+02
       0.164556670260E+02      -0.538346540637E+01
    3    1    1    1
    1
    3    5 6339       0.100347475115E+01
      -0.532380764628E+00       0.378810316013E+01      -0.948754057149E+01
       0.972183904668E+01      -0.349008494210E+01
    3    1    2    1
    2
    2    5 6339       0.100347475115E+01
       0.382351996321E+00       0.192616498586E+01      -0.918814811924E+01
       0.110524738445E+02      -0.417289830666E+01
    4    5 6339       0.100347475115E+01
      -0.206924077453E+01       0.154183332192E+02      -0.348697414795E+02
       0.317461754023E+02      -0.102255803397E+02
    3    1    2    1
    2
    2    5 6339       0.100347475115E+01
       0.381149935087E+00       0.192563786114E+01      -0.917894818251E+01
       0.110404699700E+02      -0.416836515998E+01
    4    5 6339       0.100347475115E+01
      -0.206645877436E+01       0.153970518201E+02      -0.348222877289E+02
       0.317039897269E+02      -0.102123489948E+02
    3    1    3    1
    3
    1    5 6339       0.100347475115E+01
       0.852007831327E+00       0.104761833748E+01      -0.148671847572E+02
       0.230914180772E+02      -0.101241784667E+02
    3    5 6339       0.100347475115E+01
      -0.288053701172E+01       0.266533397423E+02      -0.690202442446E+02
       0.695127337020E+02      -0.242656053974E+02
    5    5 6339       0.100347475115E+01
      -0.983717973989E+01       0.629809410711E+02      -0.136038852165E+03
       0.122395590257E+03      -0.395008075752E+02
    3    1    1    1
    1
    3    5 6339       0.100347475115E+01
      -0.532498323086E+00       0.379031265713E+01      -0.949357954542E+01
       0.972775688620E+01      -0.349205575292E+01
    3    1    2    1
    2
    2    5 6339       0.100347475115E+01
       0.382314495036E+00       0.192640559406E+01      -0.918877644464E+01
       0.110531568444E+02      -0.417315609445E+01
    4    5 6339       0.100347475115E+01
      -0.206968518692E+01       0.154217068009E+02      -0.348772949988E+02
       0.317529377436E+02      -0.102277183368E+02
    3    1    2    1
    2
    2    5 6339       0.100347475115E+01
       0.381112736834E+00       0.192587828516E+01      -0.917957769809E+01
       0.110411546916E+02      -0.416862359813E+01
    4    5 6339       0.100347475115E+01
      -0.206690316923E+01       0.154004252939E+02      -0.348298409765E+02
       0.317107517792E+02      -0.102144868843E+02
    3    1    3    1
    3
    1    5 6339       0.100347475115E+01
       0.852110075438E+00       0.104763456485E+01      -0.148684191118E+02
       0.230934211552E+02      -0.101250656891E+02
    3    5 6339       0.100347475115E+01
      -0.288083274041E+01       0.266570740689E+02      -0.690301968310E+02
       0.695226111986E+02      -0.242689689321E+02
    5    5 6339       0.100347475115E+01
      -0.983984023472E+01       0.629977522344E+02      -0.136073766964E+03
       0.122425621312E+03      -0.395100745261E+02
    3    1    3    1
    3
    1    5 6339       0.100347475115E+01
       0.852212352293E+00       0.104765072877E+01      -0.148696535170E+02
       0.230954243932E+02      -0.101259529903E+02
    3    5 6339       0.100347475115E+01
      -0.288112848884E+01       0.266608085773E+02      -0.690401498878E+02
       0.695324891689E+02      -0.242723326323E+02
    5    5 6339       0.100347475115E+01
      -0.984250074063E+01       0.630145634762E+02      -0.136108681976E+03
       0.122455652604E+03      -0.395193415662E+02
 ***** NON-PSEUDIZED D_IJ *****
           1 -TH ORBITAL
  0.120970470567E+00
           2 -TH ORBITAL
 -0.422244659249E+00
           3 -TH ORBITAL
 -0.420607855689E+00
           4 -TH ORBITAL
 -0.334468740283E+00
           5 -TH ORBITAL
 -0.333701037532E+00
 ***** TOTAL ENERGY ****
  (B) LOCAL POT. EN.    :  -33.9314177837947     
  (C) NON-LOCAL POT.    :  -1.48429430685265     
  (D) HARTREE           :   13.6471929571822     
  (E) X-C ENERGY        :  -3.24121976684836     
  (F) X-C POT.          :  -4.19845955663529     
  (G) NON-LOCAL H-X-C   :  0.647418491360590     
  (H) SUM OF EIGEN VALUE:  -3.08848968368550     
  ##TOTAL ENERGY (H-D+E-F) ##
                        :  -15.7784428510807     
