#xPSV-1
# ATOM NAME: Cd
#     FOR cd0pbe   ATOM  : STFFNESS = 1.31020648438584
 PBE
   12.0000000000000        48.0000000000000     
    5  2
    1    1    1    2
    2
      6683    0.220587874897431E+01
       1.36236143       0.48784502      -0.36236143       0.19532044
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    0.450000000000000E+02   -0.266666666670365E+00    0.000000000000000E+00
  ### NON-LOCAL POTENTIAL PARAMETERS ### 
    6683    0.5000000000E-06    0.2205878749E+01    0.5011461623E-06
 ### L= 0 K= -1 :    EIGEN ENERGY=       -0.4798407063
  0.215922290406E+00
 -0.492563412803E-01
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.479840706262435     
  0.126756589838E-04  0.137900697551E-06 -0.611077313357E-07  0.5000E-06
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  0.135470069316E-04  0.148044748330E-06 -0.656028494944E-07  0.5368E-06
  0.135760907664E-04  0.148384114950E-06 -0.657532325207E-07  0.5380E-06
  0.136052370389E-04  0.148724259508E-06 -0.659039602737E-07  0.5392E-06
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  0.137519096674E-04  0.150436713934E-06 -0.666627976609E-07  0.5455E-06
  0.137814333906E-04  0.150781563716E-06 -0.668156104325E-07  0.5467E-06
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  0.138703853964E-04  0.151820863358E-06 -0.672761537399E-07  0.5505E-06
  0.139001634650E-04  0.152168886060E-06 -0.674303725227E-07  0.5517E-06
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 ### L= 1 K=  1 :    EIGEN ENERGY=       -0.2794219325
  0.918009418649E-01
  0.541333467403E-02
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.279421932524685     
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 ### L= 1 K= -2 :    EIGEN ENERGY=       -0.2672753072
  0.871008828319E-01
  0.943063318827E-02
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.267275307240049     
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 ### L= 2 K=  2 :    EIGEN ENERGY=       -0.7692516111
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  0.433881741089E+00  0.642394103879E+00  0.949236420735E+00
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.769251611051903     
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  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00  0.2206E+01
 ### L= 2 K= -3 :    EIGEN ENERGY=       -0.7433492925
 -0.678870839725E+00 -0.819241268331E+00 -0.988284500906E+00
  0.421010067970E+00  0.517658822849E+00  0.636534708168E+00
 ** PSI, PHI, BETA, R  FOR           1 -TH REF. EN.: -0.743349292481835     
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  0.000000000000E+00  0.000000000000E+00  0.000000000000E+00  0.2206E+01
  #### DATA OF PSEUDO CORE ###
          28
    1    1    1    1
    1
    1    5 6683       0.220587874897E+01
      -0.118056693565E+00       0.936674334724E-01      -0.278324536366E-01
       0.367047439338E-02      -0.181245033621E-03
    2    1    1    1
    1
    2    5 6683       0.220587874897E+01
      -0.557620591677E-01       0.417561575445E-01      -0.116134822554E-01
       0.141870545425E-02      -0.640311350207E-04
    2    1    2    1
    2
    1    5 6683       0.220587874897E+01
       0.129751029545E-01      -0.102944365043E-01       0.305874330630E-02
      -0.403341808265E-03       0.199139030210E-04
    3    5 6683       0.220587874897E+01
      -0.282809763042E-01       0.226266223841E-01      -0.678343769602E-02
       0.903134172591E-03      -0.450526663709E-04
    2    1    1    1
    1
    2    5 6683       0.220587874897E+01
      -0.480864414559E-01       0.360082894543E-01      -0.100147778962E-01
       0.122339392605E-02      -0.552151336618E-04
    2    1    2    1
    2
    1    5 6683       0.220587874897E+01
       0.176242011739E-01      -0.139831384165E-01       0.415487061490E-02
      -0.547911102097E-03       0.270537108964E-04
    3    5 6683       0.220587874897E+01
      -0.242429505826E-01       0.193959136980E-01      -0.581486115103E-02
       0.774177059936E-03      -0.386194881703E-04
    2    1    2    1
    2
    1    5 6683       0.220587874897E+01
       0.226032988860E-01      -0.179336602023E-01       0.532878981357E-02
      -0.702738066507E-03       0.346999356860E-04
    3    5 6683       0.220587874897E+01
      -0.199776582719E-01       0.159833815389E-01      -0.479177657495E-02
       0.637963333229E-03      -0.318243478143E-04
    3    1    1    1
    1
    3    5 6683       0.220587874897E+01
      -0.212435160409E+00       0.169961156318E+00      -0.509537473893E-01
       0.678380193498E-02      -0.338402899283E-03
    3    1    2    1
    2
    2    5 6683       0.220587874897E+01
      -0.240226951858E+00       0.179887623102E+00      -0.500310501455E-01
       0.611172567644E-02      -0.275838268129E-03
    4    5 6683       0.220587874897E+01
      -0.696610208776E-01       0.533794822951E-01      -0.152575031923E-01
       0.192630867664E-02      -0.905392464377E-04
    3    1    2    1
    2
    2    5 6683       0.220587874897E+01
      -0.245730446746E+00       0.184008665513E+00      -0.511771623477E-01
       0.625172411651E-02      -0.282156152728E-03
    4    5 6683       0.220587874897E+01
      -0.736493579091E-01       0.564356211973E-01      -0.161310315952E-01
       0.203659252276E-02      -0.957226178633E-04
    3    1    3    1
    3
    1    5 6683       0.220587874897E+01
       0.103991905243E+01      -0.825083018640E+00       0.245166379832E+00
      -0.323319818204E-01       0.159653080933E-02
    3    5 6683       0.220587874897E+01
       0.469239664162E+00      -0.375420518144E+00       0.112549735191E+00
      -0.149844751954E-01       0.747485019529E-03
    5    5 6683       0.220587874897E+01
       0.651833165626E-01      -0.440011168895E-01       0.106101033646E-01
      -0.104894375331E-02       0.330987002722E-04
    3    2    1    1
    1
    3    5 6683       0.220587874897E+01
      -0.288118857429E+00       0.230512761405E+00      -0.691069054608E-01
       0.920064990822E-02      -0.458964887788E-03
    3    2    2    1
    2
    2    5 6683       0.220587874897E+01
      -0.336199349927E+00       0.251753824565E+00      -0.700186673498E-01
       0.855336871595E-02      -0.386034873942E-03
    4    5 6683       0.220587874897E+01
      -0.948686001911E-01       0.726953731349E-01      -0.207785623684E-01
       0.262335669327E-02      -0.123301270274E-03
    3    2    2    1
    2
    2    5 6683       0.220587874897E+01
      -0.345109203404E+00       0.258425728296E+00      -0.718742809071E-01
       0.878004750942E-02      -0.396265453609E-03
    4    5 6683       0.220587874897E+01
      -0.100983008501E+00       0.773806872767E-01      -0.221177685385E-01
       0.279243554545E-02      -0.131248202287E-03
    3    2    3    1
    3
    1    5 6683       0.220587874897E+01
       0.153967730045E+01      -0.122159661550E+01       0.362987012319E+00
      -0.478698975446E-01       0.236378229761E-02
    3    5 6683       0.220587874897E+01
       0.697201130062E+00      -0.557803675801E+00       0.167227556745E+00
      -0.222640877103E-01       0.111062094736E-02
    5    5 6683       0.220587874897E+01
       0.971000316948E-01      -0.655460640977E-01       0.158052923339E-01
      -0.156255430350E-02       0.493053287722E-04
    3    2    3    2
    3
    1    5 6683       0.220587874897E+01
       0.227511080974E+01      -0.180509751255E+01       0.536369325798E+00
      -0.707351607683E-01       0.349285311704E-02
    3    5 6683       0.220587874897E+01
       0.103265941255E+01      -0.826190881448E+00       0.247689085799E+00
      -0.329764521992E-01       0.164499615075E-02
    5    5 6683       0.220587874897E+01
       0.144008019863E+00      -0.972106675604E-01       0.234406602454E-01
      -0.231740759846E-02       0.731242065229E-04
    3    1    1    1
    1
    3    5 6683       0.220587874897E+01
      -0.211805235673E+00       0.169457177757E+00      -0.508026563435E-01
       0.676368619259E-02      -0.337399445453E-03
    3    1    2    1
    2
    2    5 6683       0.220587874897E+01
      -0.238465208476E+00       0.178568392861E+00      -0.496641429056E-01
       0.606690520388E-02      -0.273815430682E-03
    4    5 6683       0.220587874897E+01
      -0.695551281810E-01       0.532983402375E-01      -0.152343106683E-01
       0.192338061613E-02      -0.904016280432E-04
    3    1    2    1
    2
    2    5 6683       0.220587874897E+01
      -0.244000353212E+00       0.182713132707E+00      -0.508168446789E-01
       0.620770838139E-02      -0.280169619279E-03
    4    5 6683       0.220587874897E+01
      -0.735320102231E-01       0.563457009143E-01      -0.161053297324E-01
       0.203334760386E-02      -0.955701036189E-04
    3    1    3    1
    3
    1    5 6683       0.220587874897E+01
       0.102430215651E+01      -0.812692404653E+00       0.241484614618E+00
      -0.318464390421E-01       0.157255504429E-02
    3    5 6683       0.220587874897E+01
       0.464115477233E+00      -0.371320854256E+00       0.111320670552E+00
      -0.148208418604E-01       0.739322340182E-03
    5    5 6683       0.220587874897E+01
       0.647148824808E-01      -0.436849068047E-01       0.105338548115E-01
      -0.104140561414E-02       0.328608395161E-04
    3    1    3    2
    3
    1    5 6683       0.220587874897E+01
       0.151699356788E+01      -0.120359909689E+01       0.357639203226E+00
      -0.471646407065E-01       0.232895720482E-02
    3    5 6683       0.220587874897E+01
       0.689842373079E+00      -0.551916218802E+00       0.165462518100E+00
      -0.220290966853E-01       0.109889866362E-02
    5    5 6683       0.220587874897E+01
       0.964420277532E-01      -0.651018874200E-01       0.156981868567E-01
      -0.155196556327E-02       0.489712082950E-04
    3    1    3    1
    3
    1    5 6683       0.220587874897E+01
       0.100906848463E+01      -0.800605844682E+00       0.237893196434E+00
      -0.313728110200E-01       0.154916762144E-02
    3    5 6683       0.220587874897E+01
       0.459073013754E+00      -0.367286574120E+00       0.110111207724E+00
      -0.146598182403E-01       0.731289843713E-03
    5    5 6683       0.220587874897E+01
       0.642514563600E-01      -0.433720772667E-01       0.104584214147E-01
      -0.103394806293E-02       0.326255216128E-04
    3    2    1    1
    1
    3    5 6683       0.220587874897E+01
      -0.258172984257E+00       0.206554225745E+00      -0.619242217371E-01
       0.824437270365E-02      -0.411261990226E-03
    3    2    2    1
    2
    2    5 6683       0.220587874897E+01
      -0.291677388345E+00       0.218414753258E+00      -0.607462864976E-01
       0.742066946225E-02      -0.334913330165E-03
    4    5 6683       0.220587874897E+01
      -0.844202300523E-01       0.646890553009E-01      -0.184901117119E-01
       0.233443283813E-02      -0.109721462991E-03
    3    2    2    1
    2
    2    5 6683       0.220587874897E+01
      -0.298304383952E+00       0.223377200327E+00      -0.621264598808E-01
       0.758926923954E-02      -0.342522658736E-03
    4    5 6683       0.220587874897E+01
      -0.892081591387E-01       0.683579224567E-01      -0.195387862244E-01
       0.246683118463E-02      -0.115944362202E-03
    3    2    3    1
    3
    1    5 6683       0.220587874897E+01
       0.125951432349E+01      -0.999312280842E+00       0.296937118707E+00
      -0.391593885418E-01       0.193366341224E-02
    3    5 6683       0.220587874897E+01
       0.568041274947E+00      -0.454467868053E+00       0.136247849365E+00
      -0.181395586217E-01       0.904873087276E-03
    5    5 6683       0.220587874897E+01
       0.788303218050E-01      -0.532133433465E-01       0.128314714110E-01
      -0.126855425677E-02       0.400283590335E-04
    3    2    3    2
    3
    1    5 6683       0.220587874897E+01
       0.186507788271E+01      -0.147977295528E+01       0.439701909050E+00
      -0.579868827838E-01       0.286335200285E-02
    3    5 6683       0.220587874897E+01
       0.844111968817E+00      -0.675341359482E+00       0.202464935994E+00
      -0.269554682322E-01       0.134464560395E-02
    5    5 6683       0.220587874897E+01
       0.117437004864E+00      -0.792742629874E-01       0.191156085178E-01
      -0.188982118943E-02       0.596320107964E-04
    3    2    3    1
    3
    1    5 6683       0.220587874897E+01
       0.124071428137E+01      -0.984396124119E+00       0.292504909975E+00
      -0.385748789820E-01       0.190480073596E-02
    3    5 6683       0.220587874897E+01
       0.561832590279E+00      -0.449500539392E+00       0.134758661900E+00
      -0.179412934477E-01       0.894982834412E-03
    5    5 6683       0.220587874897E+01
       0.782604222311E-01      -0.528286403485E-01       0.127387069826E-01
      -0.125938331287E-02       0.397389762259E-04
    3    2    3    2
    3
    1    5 6683       0.220587874897E+01
       0.152563361829E+01      -0.121045420621E+01       0.359676140447E+00
      -0.474332673276E-01       0.234222180062E-02
    3    5 6683       0.220587874897E+01
       0.687666989958E+00      -0.550175778792E+00       0.164940740360E+00
      -0.219596290328E-01       0.109543334161E-02
    5    5 6683       0.220587874897E+01
       0.953387847245E-01      -0.643571581255E-01       0.155186083522E-01
      -0.153421194270E-02       0.484110049891E-04
 ***** NON-PSEUDIZED D_IJ *****
           1 -TH ORBITAL
  0.172554381025E+00
           2 -TH ORBITAL
  0.697684280387E-01
           3 -TH ORBITAL
  0.678016440526E-01
           4 -TH ORBITAL
 -0.753925020436E+00 -0.100393649109E+01 -0.132798513429E+01
           5 -TH ORBITAL
 -0.735034838023E+00 -0.890019988011E+00 -0.107742156133E+01
 ***** TOTAL ENERGY ****
  (B) LOCAL POT. EN.    :  -84.0444283627490     
  (C) NON-LOCAL POT.    :  -6.63039792904032     
  (D) HARTREE           :   38.2780431190348     
  (E) X-C ENERGY        :  -6.05754773137094     
  (F) X-C POT.          :  -7.86940704568305     
  (G) NON-LOCAL H-X-C   :   30.1930633949437     
  (H) SUM OF EIGEN VALUE:  -8.01694290536105     
  ##TOTAL ENERGY (H-D+E-F) ##
                        :  -44.4831267100837     
