path: root/src/labat/aprtout.dat

 atom number:  13.  ionicity:   0.

 perdew - wang xc

 hermann-skillmann mesh
 blocks, nbl, c:   10,   40, 0.2000000
 first interval, last interval, final r:  0.000500,  0.256000, 20.460000

 energy eigenvalue threshold, screening parameter, feedback:    0.000010,    0.005000, 0.500


 initial bound state configuration
   nlm    energy    occup.  val.el. d-band el.
   100 -0.8450E+02   1.00      1         0
   200 -0.1625E+02   1.00      1         0
   210 -0.5336E+01   3.00      1         0
   300 -0.7812E+00   1.00      1         0
   310 -0.2312E+00   1.00      1         0
   100 -0.8450E+02   1.00      1         0
   200 -0.1625E+02   1.00      1         0
   210 -0.5336E+01   3.00      1         0
   300 -0.7812E+00   1.00      1         0
   310 -0.2312E+00   0.00      1         0

 number of valence electrons:  13.0

 initial potentials




 *********************   iteration:   1  ***********************

 l =    0,   3 bound states 
 l =    1,   1 bound states 
 l =    0,   3 bound states 
 l =    1,   1 bound states 


 bound states

    100 energy:    -51.97833 iteration loops:    7
    200 energy:     -3.47892 iteration loops:   10
    300 energy:     -0.08955 iteration loops:   15
    210 energy:     -2.09653 iteration loops:   13
    100 energy:    -51.97833 iteration loops:    7
    200 energy:     -3.47892 iteration loops:   10
    300 energy:     -0.08955 iteration loops:   15
    210 energy:     -2.09653 iteration loops:   13

 integr charges: total  12.0000000 valence: 12.0000000 0.0000000
 induced moment:    0.00000

 energy terms
 energy eigenvalue sum:  -0.123673E+03
 kin:   0.175039E+03   0.175039E+03  coul:  -0.451615E+03 exc:  -0.175124E+02

 total energy:  -0.2427229E+03

 charge and spin density profiles 

 valence energy: -0.2423878E+03
0
 potentials vs. distance after   1 iterations

      0.00050  -0.25944E+05  -0.81015E+02  -0.81015E+02  -0.25978E+05  -0.25978E+05
      0.00100  -0.12948E+05  -0.46840E+02  -0.46840E+02  -0.12967E+05  -0.12967E+05
      0.00150  -0.86168E+04  -0.35293E+02  -0.35293E+02  -0.86307E+04  -0.86307E+04
      0.00200  -0.64512E+04  -0.28887E+02  -0.28887E+02  -0.64625E+04  -0.64625E+04
      0.00250  -0.51519E+04  -0.25299E+02  -0.25299E+02  -0.51618E+04  -0.51618E+04
      0.00300  -0.42858E+04  -0.22804E+02  -0.22804E+02  -0.42947E+04  -0.42947E+04
      0.00350  -0.36672E+04  -0.21035E+02  -0.21035E+02  -0.36755E+04  -0.36755E+04
      0.00400  -0.32033E+04  -0.19689E+02  -0.19689E+02  -0.32111E+04  -0.32111E+04
      0.00450  -0.28425E+04  -0.18635E+02  -0.18635E+02  -0.28499E+04  -0.28499E+04
      0.00500  -0.25539E+04  -0.17782E+02  -0.17782E+02  -0.25610E+04  -0.25610E+04
      0.00550  -0.23178E+04  -0.17076E+02  -0.17076E+02  -0.23246E+04  -0.23246E+04
      0.00600  -0.21210E+04  -0.16480E+02  -0.16480E+02  -0.21277E+04  -0.21277E+04
      0.00650  -0.19546E+04  -0.15970E+02  -0.15970E+02  -0.19611E+04  -0.19611E+04
      0.00700  -0.18119E+04  -0.15526E+02  -0.15526E+02  -0.18183E+04  -0.18183E+04
      0.00750  -0.16883E+04  -0.15135E+02  -0.15135E+02  -0.16945E+04  -0.16945E+04
      0.00800  -0.15801E+04  -0.14788E+02  -0.14788E+02  -0.15862E+04  -0.15862E+04
      0.00850  -0.14847E+04  -0.14477E+02  -0.14477E+02  -0.14907E+04  -0.14907E+04
      0.00900  -0.13998E+04  -0.14196E+02  -0.14196E+02  -0.14058E+04  -0.14058E+04
      0.00950  -0.13239E+04  -0.13940E+02  -0.13940E+02  -0.13298E+04  -0.13298E+04
      0.01000  -0.12556E+04  -0.13705E+02  -0.13705E+02  -0.12615E+04  -0.12615E+04
      0.01050  -0.11939E+04  -0.13489E+02  -0.13489E+02  -0.11996E+04  -0.11996E+04
      0.01100  -0.11377E+04  -0.13289E+02  -0.13289E+02  -0.11434E+04  -0.11434E+04
      0.01150  -0.10864E+04  -0.13102E+02  -0.13102E+02  -0.10921E+04  -0.10921E+04
      0.01200  -0.10394E+04  -0.12928E+02  -0.12928E+02  -0.10451E+04  -0.10451E+04
      0.01250  -0.99622E+03  -0.12764E+02  -0.12764E+02  -0.10018E+04  -0.10018E+04
      0.01300  -0.95632E+03  -0.12610E+02  -0.12610E+02  -0.96186E+03  -0.96186E+03
      0.01350  -0.91938E+03  -0.12465E+02  -0.12465E+02  -0.92489E+03  -0.92489E+03
      0.01400  -0.88509E+03  -0.12327E+02  -0.12327E+02  -0.89056E+03  -0.89056E+03
      0.01450  -0.85317E+03  -0.12195E+02  -0.12195E+02  -0.85860E+03  -0.85860E+03
      0.01500  -0.82337E+03  -0.12070E+02  -0.12070E+02  -0.82878E+03  -0.82878E+03
      0.01550  -0.79551E+03  -0.11951E+02  -0.11951E+02  -0.80089E+03  -0.80089E+03
      0.01600  -0.76939E+03  -0.11836E+02  -0.11836E+02  -0.77474E+03  -0.77474E+03
      0.01650  -0.74485E+03  -0.11727E+02  -0.11727E+02  -0.75018E+03  -0.75018E+03
      0.01700  -0.72177E+03  -0.11621E+02  -0.11621E+02  -0.72706E+03  -0.72706E+03
      0.01750  -0.70000E+03  -0.11519E+02  -0.11519E+02  -0.70527E+03  -0.70527E+03
      0.01800  -0.67945E+03  -0.11421E+02  -0.11421E+02  -0.68470E+03  -0.68470E+03
      0.01850  -0.66002E+03  -0.11327E+02  -0.11327E+02  -0.66524E+03  -0.66524E+03
      0.01900  -0.64161E+03  -0.11235E+02  -0.11235E+02  -0.64680E+03  -0.64680E+03
      0.01950  -0.62414E+03  -0.11146E+02  -0.11146E+02  -0.62932E+03  -0.62932E+03
      0.02000  -0.60756E+03  -0.11060E+02  -0.11060E+02  -0.61271E+03  -0.61271E+03
      0.02100  -0.57676E+03  -0.10894E+02  -0.10894E+02  -0.58187E+03  -0.58187E+03
      0.02200  -0.54877E+03  -0.10737E+02  -0.10737E+02  -0.55384E+03  -0.55384E+03
      0.02300  -0.52323E+03  -0.10588E+02  -0.10588E+02  -0.52826E+03  -0.52826E+03
      0.02400  -0.49983E+03  -0.10445E+02  -0.10445E+02  -0.50482E+03  -0.50482E+03
      0.02500  -0.47831E+03  -0.10308E+02  -0.10308E+02  -0.48326E+03  -0.48326E+03
      0.02600  -0.45845E+03  -0.10177E+02  -0.10177E+02  -0.46337E+03  -0.46337E+03
      0.02700  -0.44008E+03  -0.10050E+02  -0.10050E+02  -0.44495E+03  -0.44495E+03
      0.02800  -0.42302E+03  -0.99279E+01  -0.99279E+01  -0.42786E+03  -0.42786E+03
      0.02900  -0.40715E+03  -0.98095E+01  -0.98095E+01  -0.41195E+03  -0.41195E+03
      0.03000  -0.39234E+03  -0.96948E+01  -0.96948E+01  -0.39711E+03  -0.39711E+03
      0.03100  -0.37850E+03  -0.95835E+01  -0.95835E+01  -0.38323E+03  -0.38323E+03
      0.03200  -0.36553E+03  -0.94752E+01  -0.94752E+01  -0.37023E+03  -0.37023E+03
      0.03300  -0.35335E+03  -0.93697E+01  -0.93697E+01  -0.35801E+03  -0.35801E+03
      0.03400  -0.34190E+03  -0.92669E+01  -0.92669E+01  -0.34653E+03  -0.34653E+03
      0.03500  -0.33111E+03  -0.91665E+01  -0.91665E+01  -0.33570E+03  -0.33570E+03
      0.03600  -0.32092E+03  -0.90685E+01  -0.90685E+01  -0.32548E+03  -0.32548E+03
      0.03700  -0.31129E+03  -0.89726E+01  -0.89726E+01  -0.31581E+03  -0.31581E+03
      0.03800  -0.30217E+03  -0.88787E+01  -0.88787E+01  -0.30666E+03  -0.30666E+03
      0.03900  -0.29353E+03  -0.87868E+01  -0.87868E+01  -0.29798E+03  -0.29798E+03
      0.04000  -0.28532E+03  -0.86967E+01  -0.86967E+01  -0.28974E+03  -0.28974E+03
      0.04100  -0.27752E+03  -0.86083E+01  -0.86083E+01  -0.28191E+03  -0.28191E+03
      0.04200  -0.27010E+03  -0.85215E+01  -0.85215E+01  -0.27445E+03  -0.27445E+03
      0.04300  -0.26302E+03  -0.84363E+01  -0.84363E+01  -0.26734E+03  -0.26734E+03
      0.04400  -0.25627E+03  -0.83525E+01  -0.83525E+01  -0.26056E+03  -0.26056E+03
      0.04500  -0.24983E+03  -0.82702E+01  -0.82702E+01  -0.25408E+03  -0.25408E+03
      0.04600  -0.24367E+03  -0.81892E+01  -0.81892E+01  -0.24789E+03  -0.24789E+03
      0.04700  -0.23778E+03  -0.81096E+01  -0.81096E+01  -0.24197E+03  -0.24197E+03
      0.04800  -0.23214E+03  -0.80312E+01  -0.80312E+01  -0.23629E+03  -0.23629E+03
      0.04900  -0.22673E+03  -0.79540E+01  -0.79540E+01  -0.23085E+03  -0.23085E+03
      0.05000  -0.22155E+03  -0.78779E+01  -0.78779E+01  -0.22563E+03  -0.22563E+03
      0.05100  -0.21657E+03  -0.78030E+01  -0.78030E+01  -0.22062E+03  -0.22062E+03
      0.05200  -0.21179E+03  -0.77291E+01  -0.77291E+01  -0.21581E+03  -0.21581E+03
      0.05300  -0.20719E+03  -0.76563E+01  -0.76563E+01  -0.21117E+03  -0.21117E+03
      0.05400  -0.20276E+03  -0.75845E+01  -0.75845E+01  -0.20672E+03  -0.20672E+03
      0.05500  -0.19850E+03  -0.75137E+01  -0.75137E+01  -0.20242E+03  -0.20242E+03
      0.05600  -0.19440E+03  -0.74438E+01  -0.74438E+01  -0.19829E+03  -0.19829E+03
      0.05700  -0.19044E+03  -0.73749E+01  -0.73749E+01  -0.19430E+03  -0.19430E+03
      0.05800  -0.18662E+03  -0.73068E+01  -0.73068E+01  -0.19045E+03  -0.19045E+03
      0.05900  -0.18294E+03  -0.72396E+01  -0.72396E+01  -0.18673E+03  -0.18673E+03
      0.06000  -0.17938E+03  -0.71736E+01  -0.71736E+01  -0.18314E+03  -0.18314E+03
      0.06200  -0.17261E+03  -0.70436E+01  -0.70436E+01  -0.17631E+03  -0.17631E+03
      0.06400  -0.16628E+03  -0.69162E+01  -0.69162E+01  -0.16992E+03  -0.16992E+03
      0.06600  -0.16035E+03  -0.67924E+01  -0.67924E+01  -0.16392E+03  -0.16392E+03
      0.06800  -0.15477E+03  -0.66713E+01  -0.66713E+01  -0.15828E+03  -0.15828E+03
      0.07000  -0.14952E+03  -0.65531E+01  -0.65531E+01  -0.15298E+03  -0.15298E+03
      0.07200  -0.14458E+03  -0.64375E+01  -0.64375E+01  -0.14797E+03  -0.14797E+03
      0.07400  -0.13991E+03  -0.63245E+01  -0.63245E+01  -0.14324E+03  -0.14324E+03
      0.07600  -0.13549E+03  -0.62141E+01  -0.62141E+01  -0.13877E+03  -0.13877E+03
      0.07800  -0.13131E+03  -0.61061E+01  -0.61061E+01  -0.13453E+03  -0.13453E+03
      0.08000  -0.12735E+03  -0.60004E+01  -0.60004E+01  -0.13051E+03  -0.13051E+03
      0.08200  -0.12359E+03  -0.58971E+01  -0.58971E+01  -0.12669E+03  -0.12669E+03
      0.08400  -0.12001E+03  -0.57959E+01  -0.57959E+01  -0.12306E+03  -0.12306E+03
      0.08600  -0.11661E+03  -0.56970E+01  -0.56970E+01  -0.11960E+03  -0.11960E+03
      0.08800  -0.11337E+03  -0.56001E+01  -0.56001E+01  -0.11631E+03  -0.11631E+03
      0.09000  -0.11028E+03  -0.55053E+01  -0.55053E+01  -0.11316E+03  -0.11316E+03
      0.09200  -0.10733E+03  -0.54126E+01  -0.54126E+01  -0.11016E+03  -0.11016E+03
      0.09400  -0.10451E+03  -0.53218E+01  -0.53218E+01  -0.10729E+03  -0.10729E+03
      0.09600  -0.10181E+03  -0.52330E+01  -0.52330E+01  -0.10455E+03  -0.10455E+03
      0.09800  -0.99229E+02  -0.51460E+01  -0.51460E+01  -0.10192E+03  -0.10192E+03
      0.10000  -0.96757E+02  -0.50609E+01  -0.50609E+01  -0.99396E+02  -0.99396E+02
      0.10200  -0.94386E+02  -0.49776E+01  -0.49776E+01  -0.96978E+02  -0.96978E+02
      0.10400  -0.92112E+02  -0.48961E+01  -0.48961E+01  -0.94657E+02  -0.94657E+02
      0.10600  -0.89927E+02  -0.48164E+01  -0.48164E+01  -0.92427E+02  -0.92427E+02
      0.10800  -0.87828E+02  -0.47384E+01  -0.47384E+01  -0.90283E+02  -0.90283E+02
      0.11000  -0.85809E+02  -0.46621E+01  -0.46621E+01  -0.88221E+02  -0.88221E+02
      0.11200  -0.83867E+02  -0.45874E+01  -0.45874E+01  -0.86236E+02  -0.86236E+02
      0.11400  -0.81996E+02  -0.45144E+01  -0.45144E+01  -0.84324E+02  -0.84324E+02
      0.11600  -0.80194E+02  -0.44430E+01  -0.44430E+01  -0.82481E+02  -0.82481E+02
      0.11800  -0.78456E+02  -0.43732E+01  -0.43732E+01  -0.80703E+02  -0.80703E+02
      0.12000  -0.76780E+02  -0.43049E+01  -0.43049E+01  -0.78987E+02  -0.78987E+02
      0.12200  -0.75162E+02  -0.42382E+01  -0.42382E+01  -0.77331E+02  -0.77331E+02
      0.12400  -0.73600E+02  -0.41730E+01  -0.41730E+01  -0.75731E+02  -0.75731E+02
      0.12600  -0.72089E+02  -0.41092E+01  -0.41092E+01  -0.74185E+02  -0.74185E+02
      0.12800  -0.70630E+02  -0.40469E+01  -0.40469E+01  -0.72689E+02  -0.72689E+02
      0.13000  -0.69217E+02  -0.39861E+01  -0.39861E+01  -0.71242E+02  -0.71242E+02
      0.13200  -0.67851E+02  -0.39266E+01  -0.39266E+01  -0.69842E+02  -0.69842E+02
      0.13400  -0.66528E+02  -0.38685E+01  -0.38685E+01  -0.68486E+02  -0.68486E+02
      0.13600  -0.65246E+02  -0.38118E+01  -0.38118E+01  -0.67172E+02  -0.67172E+02
      0.13800  -0.64004E+02  -0.37563E+01  -0.37563E+01  -0.65898E+02  -0.65898E+02
      0.14000  -0.62800E+02  -0.37027E+01  -0.37027E+01  -0.64664E+02  -0.64664E+02
      0.14400  -0.60498E+02  -0.35986E+01  -0.35986E+01  -0.62303E+02  -0.62303E+02
      0.14800  -0.58330E+02  -0.34985E+01  -0.34985E+01  -0.60079E+02  -0.60079E+02
      0.15200  -0.56283E+02  -0.34037E+01  -0.34037E+01  -0.57980E+02  -0.57980E+02
      0.15600  -0.54350E+02  -0.33131E+01  -0.33131E+01  -0.55996E+02  -0.55996E+02
      0.16000  -0.52519E+02  -0.32267E+01  -0.32267E+01  -0.54118E+02  -0.54118E+02
      0.16400  -0.50786E+02  -0.31442E+01  -0.31442E+01  -0.52339E+02  -0.52339E+02
      0.16800  -0.49140E+02  -0.30654E+01  -0.30654E+01  -0.50651E+02  -0.50651E+02
      0.17200  -0.47577E+02  -0.29900E+01  -0.29900E+01  -0.49048E+02  -0.49048E+02
      0.17600  -0.46090E+02  -0.29178E+01  -0.29178E+01  -0.47523E+02  -0.47523E+02
      0.18000  -0.44676E+02  -0.28487E+01  -0.28487E+01  -0.46072E+02  -0.46072E+02
      0.18400  -0.43327E+02  -0.27823E+01  -0.27823E+01  -0.44689E+02  -0.44689E+02
      0.18800  -0.42041E+02  -0.27188E+01  -0.27188E+01  -0.43370E+02  -0.43370E+02
      0.19200  -0.40812E+02  -0.26578E+01  -0.26578E+01  -0.42111E+02  -0.42111E+02
      0.19600  -0.39638E+02  -0.25995E+01  -0.25995E+01  -0.40908E+02  -0.40908E+02
      0.20000  -0.38515E+02  -0.25437E+01  -0.25437E+01  -0.39758E+02  -0.39758E+02
      0.20400  -0.37441E+02  -0.24906E+01  -0.24906E+01  -0.38657E+02  -0.38657E+02
      0.20800  -0.36411E+02  -0.24402E+01  -0.24402E+01  -0.37603E+02  -0.37603E+02
      0.21200  -0.35424E+02  -0.23927E+01  -0.23927E+01  -0.36594E+02  -0.36594E+02
      0.21600  -0.34476E+02  -0.23481E+01  -0.23481E+01  -0.35626E+02  -0.35626E+02
      0.22000  -0.33567E+02  -0.23066E+01  -0.23066E+01  -0.34697E+02  -0.34697E+02
      0.22400  -0.32693E+02  -0.22684E+01  -0.22684E+01  -0.33807E+02  -0.33807E+02
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      3.69200  -0.19471E+00  -0.16685E+00  -0.16685E+00  -0.22525E+00  -0.22525E+00
      3.75600  -0.18895E+00  -0.16275E+00  -0.16275E+00  -0.21816E+00  -0.21816E+00
      3.82000  -0.18352E+00  -0.15871E+00  -0.15871E+00  -0.21140E+00  -0.21140E+00
      3.88400  -0.17836E+00  -0.15473E+00  -0.15473E+00  -0.20493E+00  -0.20493E+00
      3.94800  -0.17348E+00  -0.15082E+00  -0.15082E+00  -0.19874E+00  -0.19874E+00
      4.01200  -0.16884E+00  -0.14696E+00  -0.14696E+00  -0.19281E+00  -0.19281E+00
      4.07600  -0.16444E+00  -0.14317E+00  -0.14317E+00  -0.18713E+00  -0.18713E+00
      4.14000  -0.16024E+00  -0.13944E+00  -0.13944E+00  -0.18167E+00  -0.18167E+00
      4.20400  -0.15626E+00  -0.13577E+00  -0.13577E+00  -0.17644E+00  -0.17644E+00
      4.26800  -0.15246E+00  -0.13218E+00  -0.13218E+00  -0.17141E+00  -0.17141E+00
      4.33200  -0.14885E+00  -0.12865E+00  -0.12865E+00  -0.16658E+00  -0.16658E+00
      4.39600  -0.14539E+00  -0.12519E+00  -0.12519E+00  -0.16193E+00  -0.16193E+00
      4.46000  -0.14210E+00  -0.12180E+00  -0.12180E+00  -0.15746E+00  -0.15746E+00
      4.52400  -0.13894E+00  -0.11848E+00  -0.11848E+00  -0.15316E+00  -0.15316E+00
      4.58800  -0.13593E+00  -0.11524E+00  -0.11524E+00  -0.14903E+00  -0.14903E+00
      4.65200  -0.13305E+00  -0.11208E+00  -0.11208E+00  -0.14504E+00  -0.14504E+00
      4.71600  -0.13029E+00  -0.10899E+00  -0.10899E+00  -0.14122E+00  -0.14122E+00
      4.78000  -0.12764E+00  -0.10599E+00  -0.10599E+00  -0.13753E+00  -0.13753E+00
      4.84400  -0.12510E+00  -0.10306E+00  -0.10306E+00  -0.13398E+00  -0.13398E+00
      4.90800  -0.12266E+00  -0.10022E+00  -0.10022E+00  -0.13056E+00  -0.13056E+00
      4.97200  -0.12032E+00  -0.97466E-01  -0.97466E-01  -0.12727E+00  -0.12727E+00
      5.03600  -0.11807E+00  -0.94796E-01  -0.94796E-01  -0.12411E+00  -0.12411E+00
      5.10000  -0.11590E+00  -0.92179E-01  -0.92179E-01  -0.12105E+00  -0.12105E+00
      5.22800  -0.11180E+00  -0.87227E-01  -0.87227E-01  -0.11528E+00  -0.11528E+00
      5.35600  -0.10801E+00  -0.82769E-01  -0.82769E-01  -0.11002E+00  -0.11002E+00
      5.48400  -0.10446E+00  -0.78553E-01  -0.78553E-01  -0.10511E+00  -0.10511E+00
      5.61200  -0.10116E+00  -0.74745E-01  -0.74745E-01  -0.10062E+00  -0.10062E+00
      5.74000  -0.98065E-01  -0.71291E-01  -0.71291E-01  -0.96482E-01  -0.96482E-01
      5.86800  -0.95170E-01  -0.68216E-01  -0.68216E-01  -0.92711E-01  -0.92711E-01
      5.99600  -0.92443E-01  -0.65512E-01  -0.65512E-01  -0.89276E-01  -0.89276E-01
      6.12400  -0.89883E-01  -0.63184E-01  -0.63184E-01  -0.86170E-01  -0.86170E-01
      6.25200  -0.87463E-01  -0.61228E-01  -0.61228E-01  -0.83374E-01  -0.83374E-01
      6.38000  -0.85182E-01  -0.59642E-01  -0.59642E-01  -0.80880E-01  -0.80880E-01
      6.50800  -0.83019E-01  -0.58416E-01  -0.58416E-01  -0.78668E-01  -0.78668E-01
      6.63600  -0.80972E-01  -0.57536E-01  -0.57536E-01  -0.76728E-01  -0.76728E-01
      6.76400  -0.79026E-01  -0.56982E-01  -0.56982E-01  -0.75036E-01  -0.75036E-01
      6.89200  -0.77178E-01  -0.56723E-01  -0.56723E-01  -0.73573E-01  -0.73573E-01
      7.02000  -0.75417E-01  -0.56719E-01  -0.56719E-01  -0.72311E-01  -0.72311E-01
      7.14800  -0.73740E-01  -0.56920E-01  -0.56920E-01  -0.71221E-01  -0.71221E-01
      7.27600  -0.72138E-01  -0.57265E-01  -0.57265E-01  -0.70266E-01  -0.70266E-01
      7.40400  -0.70608E-01  -0.57687E-01  -0.57687E-01  -0.69407E-01  -0.69407E-01
      7.53200  -0.69144E-01  -0.58111E-01  -0.58111E-01  -0.68603E-01  -0.68603E-01
      7.66000  -0.67742E-01  -0.58459E-01  -0.58459E-01  -0.67811E-01  -0.67811E-01
      7.78800  -0.66397E-01  -0.58657E-01  -0.58657E-01  -0.66990E-01  -0.66990E-01
      7.91600  -0.65107E-01  -0.58635E-01  -0.58635E-01  -0.66104E-01  -0.66104E-01
      8.04400  -0.63867E-01  -0.58337E-01  -0.58337E-01  -0.65119E-01  -0.65119E-01
      8.17200  -0.62676E-01  -0.57718E-01  -0.57718E-01  -0.64012E-01  -0.64012E-01
      8.30000  -0.61529E-01  -0.56754E-01  -0.56754E-01  -0.62766E-01  -0.62766E-01
      8.42800  -0.60424E-01  -0.55435E-01  -0.55435E-01  -0.61377E-01  -0.61377E-01
      8.55600  -0.59359E-01  -0.53772E-01  -0.53772E-01  -0.59846E-01  -0.59846E-01
      8.68400  -0.58332E-01  -0.51790E-01  -0.51790E-01  -0.58185E-01  -0.58185E-01
      8.81200  -0.57341E-01  -0.49529E-01  -0.49529E-01  -0.56411E-01  -0.56411E-01
      8.94000  -0.56383E-01  -0.47038E-01  -0.47038E-01  -0.54548E-01  -0.54548E-01
      9.06800  -0.55457E-01  -0.44369E-01  -0.44369E-01  -0.52620E-01  -0.52620E-01
      9.19600  -0.54562E-01  -0.41581E-01  -0.41581E-01  -0.50655E-01  -0.50655E-01
      9.32400  -0.53695E-01  -0.38728E-01  -0.38728E-01  -0.48679E-01  -0.48679E-01
      9.45200  -0.52856E-01  -0.35862E-01  -0.35862E-01  -0.46717E-01  -0.46717E-01
      9.58000  -0.52042E-01  -0.33028E-01  -0.33028E-01  -0.44790E-01  -0.44790E-01
      9.70800  -0.51254E-01  -0.30266E-01  -0.30266E-01  -0.42917E-01  -0.42917E-01
      9.83600  -0.50489E-01  -0.27608E-01  -0.27608E-01  -0.41113E-01  -0.41113E-01
      9.96400  -0.49746E-01  -0.25075E-01  -0.25075E-01  -0.39388E-01  -0.39388E-01
     10.09200  -0.49025E-01  -0.22687E-01  -0.22687E-01  -0.37750E-01  -0.37750E-01
     10.22000  -0.48325E-01  -0.20526E-01  -0.20526E-01  -0.36241E-01  -0.36241E-01
     10.47600  -0.46982E-01  -0.16523E-01  -0.16523E-01  -0.33423E-01  -0.33423E-01
     10.73200  -0.45712E-01  -0.13072E-01  -0.13072E-01  -0.30931E-01  -0.30931E-01
     10.98800  -0.44508E-01  -0.10367E-01  -0.10367E-01  -0.28859E-01  -0.28859E-01
     11.24400  -0.43365E-01  -0.81480E-02  -0.81480E-02  -0.27071E-01  -0.27071E-01
     11.50000  -0.42278E-01  -0.63810E-02  -0.63810E-02  -0.25547E-01  -0.25547E-01
     11.75600  -0.41244E-01  -0.49785E-02  -0.49785E-02  -0.24241E-01  -0.24241E-01
     12.01200  -0.40258E-01  -0.38752E-02  -0.38752E-02  -0.23116E-01  -0.23116E-01
     12.26800  -0.39317E-01  -0.30111E-02  -0.30111E-02  -0.22140E-01  -0.22140E-01
     12.52400  -0.38418E-01  -0.23370E-02  -0.23370E-02  -0.21287E-01  -0.21287E-01
     12.78000  -0.37559E-01  -0.18126E-02  -0.18126E-02  -0.20534E-01  -0.20534E-01
     13.03600  -0.36735E-01  -0.14055E-02  -0.14055E-02  -0.19863E-01  -0.19863E-01
     13.29200  -0.35947E-01  -0.10897E-02  -0.10897E-02  -0.19259E-01  -0.19259E-01
     13.54800  -0.35190E-01  -0.84505E-03  -0.84505E-03  -0.18711E-01  -0.18711E-01
     13.80400  -0.34463E-01  -0.65552E-03  -0.65552E-03  -0.18209E-01  -0.18209E-01
     14.06000  -0.33765E-01  -0.50871E-03  -0.50871E-03  -0.17746E-01  -0.17746E-01
     14.31600  -0.33093E-01  -0.39498E-03  -0.39498E-03  -0.17316E-01  -0.17316E-01
     14.57200  -0.32446E-01  -0.30685E-03  -0.30685E-03  -0.16915E-01  -0.16915E-01
     14.82800  -0.31824E-01  -0.23853E-03  -0.23853E-03  -0.16538E-01  -0.16538E-01
     15.08400  -0.31223E-01  -0.18554E-03  -0.18554E-03  -0.16181E-01  -0.16181E-01
     15.34000  -0.30644E-01  -0.14441E-03  -0.14441E-03  -0.15844E-01  -0.15844E-01
     15.59600  -0.30085E-01  -0.11247E-03  -0.11247E-03  -0.15523E-01  -0.15523E-01
     15.85200  -0.29545E-01  -0.87651E-04  -0.87651E-04  -0.15217E-01  -0.15217E-01
     16.10800  -0.29024E-01  -0.68351E-04  -0.68351E-04  -0.14925E-01  -0.14925E-01
     16.36400  -0.28519E-01  -0.53333E-04  -0.53333E-04  -0.14645E-01  -0.14645E-01
     16.62000  -0.28031E-01  -0.41639E-04  -0.41639E-04  -0.14375E-01  -0.14375E-01
     16.87600  -0.27558E-01  -0.32528E-04  -0.32528E-04  -0.14117E-01  -0.14117E-01
     17.13200  -0.27100E-01  -0.25424E-04  -0.25424E-04  -0.13867E-01  -0.13867E-01
     17.38800  -0.26656E-01  -0.19882E-04  -0.19882E-04  -0.13627E-01  -0.13627E-01
     17.64400  -0.26226E-01  -0.15556E-04  -0.15556E-04  -0.13395E-01  -0.13395E-01
     17.90000  -0.25808E-01  -0.12176E-04  -0.12176E-04  -0.13171E-01  -0.13171E-01
     18.15600  -0.25403E-01  -0.95354E-05  -0.95354E-05  -0.12954E-01  -0.12954E-01
     18.41200  -0.25009E-01  -0.74700E-05  -0.74700E-05  -0.12744E-01  -0.12744E-01
     18.66800  -0.24627E-01  -0.58546E-05  -0.58546E-05  -0.12541E-01  -0.12541E-01
     18.92400  -0.24255E-01  -0.45881E-05  -0.45881E-05  -0.12344E-01  -0.12344E-01
     19.18000  -0.23894E-01  -0.36023E-05  -0.36023E-05  -0.12153E-01  -0.12153E-01
     19.43600  -0.23543E-01  -0.28114E-05  -0.28114E-05  -0.11967E-01  -0.11967E-01
     19.69200  -0.23201E-01  -0.22450E-05  -0.22450E-05  -0.11787E-01  -0.11787E-01
     19.94800  -0.22868E-01  -0.16590E-05  -0.16590E-05  -0.11612E-01  -0.11612E-01
     20.20400  -0.22544E-01  -0.15366E-05  -0.15366E-05  -0.11442E-01  -0.11442E-01
     20.46000  -0.22228E-01  -0.13842E-05  -0.13842E-05  -0.11277E-01  -0.11277E-01



 *********************   iteration:   2  ***********************

 l =    0,   5 bound states 
 l =    1,   3 bound states 
 l =    2,   1 bound states 
 l =    0,   5 bound states 
 l =    1,   3 bound states 
 l =    2,   1 bound states 


 bound states

    100 energy:    -54.47671 iteration loops:    6
    200 energy:     -4.17535 iteration loops:   11
    300 energy:     -0.29422 iteration loops:   12
    210 energy:     -2.79007 iteration loops:    8
    310 energy:     -0.11055 iteration loops:    9
    100 energy:    -54.47671 iteration loops:    6
    200 energy:     -4.17535 iteration loops:   11
    300 energy:     -0.29422 iteration loops:   12
    210 energy:     -2.79007 iteration loops:    8

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134744E+03
 kin:   0.187132E+03   0.186409E+03  coul:  -0.468433E+03 exc:  -0.184789E+02

 total energy:  -0.2481140E+03
 valence energy: -0.2422917E+03



 *********************   iteration:   3  ***********************

 l =    0,   5 bound states 
 l =    1,   3 bound states 
 l =    2,   1 bound states 
 l =    0,   5 bound states 
 l =    1,   3 bound states 
 l =    2,   1 bound states 


 bound states

    100 energy:    -55.36892 iteration loops:    5
    200 energy:     -4.29777 iteration loops:    5
    300 energy:     -0.36089 iteration loops:    7
    210 energy:     -2.91215 iteration loops:    6
    310 energy:     -0.16411 iteration loops:    8
    100 energy:    -55.36808 iteration loops:    5
    200 energy:     -4.29667 iteration loops:    5
    300 energy:     -0.34758 iteration loops:    7
    210 energy:     -2.91076 iteration loops:    6

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.137673E+03
 kin:   0.190704E+03   0.189800E+03  coul:  -0.470290E+03 exc:  -0.186975E+02

 total energy:  -0.2461560E+03
 valence energy: -0.2469787E+03



 *********************   iteration:   4  ***********************

 l =    0,   5 bound states 
 l =    1,   3 bound states 
 l =    2,   1 bound states 
 l =    0,   4 bound states 
 l =    1,   3 bound states 


 bound states

    100 energy:    -55.55097 iteration loops:    4
    200 energy:     -4.20776 iteration loops:    4
    300 energy:     -0.35526 iteration loops:    7
    210 energy:     -2.81804 iteration loops:    5
    310 energy:     -0.15966 iteration loops:    6
    100 energy:    -55.54955 iteration loops:    4
    200 energy:     -4.20596 iteration loops:    4
    300 energy:     -0.33342 iteration loops:    6
    210 energy:     -2.81575 iteration loops:    5

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.137264E+03
 kin:   0.190734E+03   0.189832E+03  coul:  -0.468741E+03 exc:  -0.186828E+02

 total energy:  -0.2441225E+03
 valence energy: -0.2463262E+03



 *********************   iteration:   5  ***********************

 l =    0,   4 bound states 
 l =    1,   3 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.51177 iteration loops:    4
    200 energy:     -4.09189 iteration loops:    5
    300 energy:     -0.33274 iteration loops:    6
    210 energy:     -2.69809 iteration loops:    6
    310 energy:     -0.14172 iteration loops:    8
    100 energy:    -55.51008 iteration loops:    4
    200 energy:     -4.08978 iteration loops:    5
    300 energy:     -0.30655 iteration loops:    5
    210 energy:     -2.69538 iteration loops:    6

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.136165E+03
 kin:   0.189870E+03   0.189016E+03  coul:  -0.466985E+03 exc:  -0.186108E+02

 total energy:  -0.2428752E+03
 valence energy: -0.2445257E+03



 *********************   iteration:   6  ***********************

 l =    0,   4 bound states 
 l =    1,   3 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.45132 iteration loops:    4
    200 energy:     -4.01239 iteration loops:    4
    300 energy:     -0.31424 iteration loops:    5
    210 energy:     -2.61641 iteration loops:    5
    310 energy:     -0.12716 iteration loops:    9
    100 energy:    -55.44954 iteration loops:    4
    200 energy:     -4.01021 iteration loops:    4
    300 energy:     -0.28628 iteration loops:    5
    210 energy:     -2.61358 iteration loops:    5

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.135341E+03
 kin:   0.189155E+03   0.188346E+03  coul:  -0.465936E+03 exc:  -0.185527E+02

 total energy:  -0.2423289E+03
 valence energy: -0.2431501E+03



 *********************   iteration:   7  ***********************

 l =    0,   4 bound states 
 l =    1,   3 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.42092 iteration loops:    3
    200 energy:     -3.97283 iteration loops:    5
    300 energy:     -0.30360 iteration loops:    5
    210 energy:     -2.57639 iteration loops:    5
    310 energy:     -0.11875 iteration loops:    5
    100 energy:    -55.41915 iteration loops:    3
    200 energy:     -3.97066 iteration loops:    5
    300 energy:     -0.27518 iteration loops:    5
    210 energy:     -2.57357 iteration loops:    5

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134931E+03
 kin:   0.188797E+03   0.188014E+03  coul:  -0.465552E+03 exc:  -0.185233E+02

 total energy:  -0.2421949E+03
 valence energy: -0.2424598E+03



 *********************   iteration:   8  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.41596 iteration loops:    3
    200 energy:     -3.95882 iteration loops:    5
    300 energy:     -0.29885 iteration loops:    5
    210 energy:     -2.56284 iteration loops:    4
    310 energy:     -0.11484 iteration loops:    5
    100 energy:    -55.41421 iteration loops:    3
    200 energy:     -3.95669 iteration loops:    5
    300 energy:     -0.27046 iteration loops:    5
    210 energy:     -2.56007 iteration loops:    4

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134799E+03
 kin:   0.188694E+03   0.187922E+03  coul:  -0.465531E+03 exc:  -0.185148E+02

 total energy:  -0.2422287E+03
 valence energy: -0.2422434E+03



 *********************   iteration:   9  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.42156 iteration loops:    4
    200 energy:     -3.95653 iteration loops:    4
    300 energy:     -0.29725 iteration loops:    5
    210 energy:     -2.56125 iteration loops:    4
    310 energy:     -0.11332 iteration loops:    5
    100 energy:    -55.41983 iteration loops:    4
    200 energy:     -3.95443 iteration loops:    4
    300 energy:     -0.26899 iteration loops:    5
    210 energy:     -2.55852 iteration loops:    4

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134791E+03
 kin:   0.188705E+03   0.187936E+03  coul:  -0.465626E+03 exc:  -0.185158E+02

 total energy:  -0.2422928E+03
 valence energy: -0.2422437E+03



 *********************   iteration:  10  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.42793 iteration loops:    4
    200 energy:     -3.95770 iteration loops:    4
    300 energy:     -0.29690 iteration loops:    4
    210 energy:     -2.56301 iteration loops:    4
    310 energy:     -0.11279 iteration loops:    5
    100 energy:    -55.42622 iteration loops:    4
    200 energy:     -3.95562 iteration loops:    4
    300 energy:     -0.26872 iteration loops:    4
    210 energy:     -2.56031 iteration loops:    4

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134816E+03
 kin:   0.188741E+03   0.187972E+03  coul:  -0.465715E+03 exc:  -0.185191E+02

 total energy:  -0.2423368E+03
 valence energy: -0.2422989E+03



 *********************   iteration:  11  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43163 iteration loops:    3
    200 energy:     -3.95890 iteration loops:    4
    300 energy:     -0.29685 iteration loops:    4
    210 energy:     -2.56458 iteration loops:    3
    310 energy:     -0.11256 iteration loops:    5
    100 energy:    -55.42992 iteration loops:    3
    200 energy:     -3.95682 iteration loops:    4
    300 energy:     -0.26871 iteration loops:    4
    210 energy:     -2.56189 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134835E+03
 kin:   0.188768E+03   0.187998E+03  coul:  -0.465764E+03 exc:  -0.185217E+02

 total energy:  -0.2423554E+03
 valence energy: -0.2423421E+03



 *********************   iteration:  12  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43277 iteration loops:    3
    200 energy:     -3.95934 iteration loops:    4
    300 energy:     -0.29679 iteration loops:    4
    210 energy:     -2.56521 iteration loops:    3
    310 energy:     -0.11238 iteration loops:    5
    100 energy:    -55.43107 iteration loops:    3
    200 energy:     -3.95727 iteration loops:    4
    300 energy:     -0.26864 iteration loops:    4
    210 energy:     -2.56252 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134841E+03
 kin:   0.188779E+03   0.188008E+03  coul:  -0.465781E+03 exc:  -0.185229E+02

 total energy:  -0.2423586E+03
 valence energy: -0.2423610E+03



 *********************   iteration:  13  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43252 iteration loops:    3
    200 energy:     -3.95924 iteration loops:    3
    300 energy:     -0.29667 iteration loops:    4
    210 energy:     -2.56520 iteration loops:    3
    310 energy:     -0.11222 iteration loops:    4
    100 energy:    -55.43081 iteration loops:    3
    200 energy:     -3.95717 iteration loops:    3
    300 energy:     -0.26851 iteration loops:    4
    210 energy:     -2.56251 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134840E+03
 kin:   0.188780E+03   0.188009E+03  coul:  -0.465781E+03 exc:  -0.185232E+02

 total energy:  -0.2423557E+03
 valence energy: -0.2423635E+03



 *********************   iteration:  14  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43184 iteration loops:    4
    200 energy:     -3.95896 iteration loops:    4
    300 energy:     -0.29655 iteration loops:    4
    210 energy:     -2.56494 iteration loops:    3
    310 energy:     -0.11208 iteration loops:    4
    100 energy:    -55.43013 iteration loops:    4
    200 energy:     -3.95688 iteration loops:    4
    300 energy:     -0.26838 iteration loops:    4
    210 energy:     -2.56225 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134836E+03
 kin:   0.188777E+03   0.188007E+03  coul:  -0.465777E+03 exc:  -0.185231E+02

 total energy:  -0.2423522E+03
 valence energy: -0.2423593E+03



 *********************   iteration:  15  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43124 iteration loops:    3
    200 energy:     -3.95870 iteration loops:    4
    300 energy:     -0.29644 iteration loops:    4
    210 energy:     -2.56469 iteration loops:    3
    310 energy:     -0.11199 iteration loops:    4
    100 energy:    -55.42953 iteration loops:    3
    200 energy:     -3.95663 iteration loops:    4
    300 energy:     -0.26827 iteration loops:    4
    210 energy:     -2.56199 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134833E+03
 kin:   0.188774E+03   0.188004E+03  coul:  -0.465772E+03 exc:  -0.185230E+02

 total energy:  -0.2423499E+03
 valence energy: -0.2423544E+03



 *********************   iteration:  16  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43086 iteration loops:    3
    200 energy:     -3.95854 iteration loops:    3
    300 energy:     -0.29638 iteration loops:    4
    210 energy:     -2.56452 iteration loops:    3
    310 energy:     -0.11193 iteration loops:    4
    100 energy:    -55.42915 iteration loops:    3
    200 energy:     -3.95646 iteration loops:    3
    300 energy:     -0.26820 iteration loops:    4
    210 energy:     -2.56183 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134831E+03
 kin:   0.188772E+03   0.188002E+03  coul:  -0.465769E+03 exc:  -0.185228E+02

 total energy:  -0.2423489E+03
 valence energy: -0.2423511E+03



 *********************   iteration:  17  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43068 iteration loops:    2
    200 energy:     -3.95846 iteration loops:    3
    300 energy:     -0.29634 iteration loops:    4
    210 energy:     -2.56445 iteration loops:    3
    310 energy:     -0.11190 iteration loops:    4
    100 energy:    -55.42897 iteration loops:    2
    200 energy:     -3.95639 iteration loops:    3
    300 energy:     -0.26817 iteration loops:    4
    210 energy:     -2.56176 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134830E+03
 kin:   0.188771E+03   0.188001E+03  coul:  -0.465769E+03 exc:  -0.185228E+02

 total energy:  -0.2423487E+03
 valence energy: -0.2423495E+03



 *********************   iteration:  18  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43062 iteration loops:    2
    200 energy:     -3.95843 iteration loops:    3
    300 energy:     -0.29633 iteration loops:    4
    210 energy:     -2.56442 iteration loops:    3
    310 energy:     -0.11188 iteration loops:    4
    100 energy:    -55.42891 iteration loops:    2
    200 energy:     -3.95636 iteration loops:    3
    300 energy:     -0.26815 iteration loops:    4
    210 energy:     -2.56173 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134829E+03
 kin:   0.188771E+03   0.188001E+03  coul:  -0.465769E+03 exc:  -0.185228E+02

 total energy:  -0.2423488E+03
 valence energy: -0.2423489E+03



 *********************   iteration:  19  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43060 iteration loops:    2
    200 energy:     -3.95843 iteration loops:    3
    300 energy:     -0.29632 iteration loops:    3
    210 energy:     -2.56442 iteration loops:    3
    310 energy:     -0.11188 iteration loops:    4
    100 energy:    -55.42889 iteration loops:    2
    200 energy:     -3.95636 iteration loops:    3
    300 energy:     -0.26814 iteration loops:    3
    210 energy:     -2.56173 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134829E+03
 kin:   0.188771E+03   0.188001E+03  coul:  -0.465769E+03 exc:  -0.185228E+02

 total energy:  -0.2423489E+03
 valence energy: -0.2423488E+03



 *********************   iteration:  20  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43060 iteration loops:    2
    200 energy:     -3.95844 iteration loops:    3
    300 energy:     -0.29632 iteration loops:    3
    210 energy:     -2.56443 iteration loops:    3
    310 energy:     -0.11188 iteration loops:    3
    100 energy:    -55.42889 iteration loops:    2
    200 energy:     -3.95636 iteration loops:    3
    300 energy:     -0.26814 iteration loops:    3
    210 energy:     -2.56174 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134829E+03
 kin:   0.188771E+03   0.188000E+03  coul:  -0.465768E+03 exc:  -0.185228E+02

 total energy:  -0.2423490E+03
 valence energy: -0.2423489E+03



 *********************   iteration:  21  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43061 iteration loops:    7
    200 energy:     -3.95844 iteration loops:    3
    300 energy:     -0.29632 iteration loops:    3
    210 energy:     -2.56443 iteration loops:    3
    310 energy:     -0.11188 iteration loops:    3
    100 energy:    -55.42890 iteration loops:    2
    200 energy:     -3.95637 iteration loops:    3
    300 energy:     -0.26814 iteration loops:    3
    210 energy:     -2.56174 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134829E+03
 kin:   0.188771E+03   0.188000E+03  coul:  -0.465769E+03 exc:  -0.185228E+02

 total energy:  -0.2423491E+03
 valence energy: -0.2423490E+03



 *********************   iteration:  22  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43061 iteration loops:    2
    200 energy:     -3.95844 iteration loops:    3
    300 energy:     -0.29632 iteration loops:    3
    210 energy:     -2.56444 iteration loops:    3
    310 energy:     -0.11188 iteration loops:    3
    100 energy:    -55.42890 iteration loops:    2
    200 energy:     -3.95637 iteration loops:    3
    300 energy:     -0.26815 iteration loops:    3
    210 energy:     -2.56174 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134829E+03
 kin:   0.188771E+03   0.188000E+03  coul:  -0.465769E+03 exc:  -0.185228E+02

 total energy:  -0.2423491E+03
 valence energy: -0.2423491E+03



 *********************   iteration:  23  ***********************

 l =    0,   4 bound states 
 l =    1,   2 bound states 
 l =    0,   4 bound states 
 l =    1,   2 bound states 


 bound states

    100 energy:    -55.43061 iteration loops:    2
    200 energy:     -3.95844 iteration loops:    3
    300 energy:     -0.29632 iteration loops:    3
    210 energy:     -2.56444 iteration loops:    3
    310 energy:     -0.11188 iteration loops:    3
    100 energy:    -55.42890 iteration loops:    2
    200 energy:     -3.95637 iteration loops:    3
    300 energy:     -0.26815 iteration loops:    3
    210 energy:     -2.56174 iteration loops:    3

 integr charges: total  13.0000001 valence: 13.0000001 0.0000000
 induced moment:    1.00000

 energy terms
 energy eigenvalue sum:  -0.134829E+03
 kin:   0.188771E+03   0.188000E+03  coul:  -0.465769E+03 exc:  -0.185228E+02

 total energy:  -0.2423491E+03
 valence energy: -0.2423491E+03