Atom = Sc  Z =   21
 Perdew - Burke - Ernzerhof GGA
Log grid -- n,r0,rmax =  2001  2.9765711E-04  8.0000000E+01
 Non-relativistic calculation
  all-electron results 
  core states (zcore) =   10.0000000000000
    1    1    0  2.0000000E+00 -3.2124782E+02
    2    2    0  2.0000000E+00 -3.4511244E+01
    5    2    1  6.0000000E+00 -2.8497114E+01
  valence states (zvale) =   11.0000000000000
    3    3    0  2.0000000E+00 -4.0003120E+00
    4    4    0  2.0000000E+00 -3.0513240E-01
    6    3    1  6.0000000E+00 -2.4700361E+00
    7    4    1  0.0000000E+00 -1.0879911E-01
    8    3    2  1.0000000E+00 -2.4760432E-01
 evale =  -155.990626075604
 selfenergy contribution =   7.30316083420672
  paw parameters: 
       lmax =   2
         rc =   2.00152627950085
        irc =   1411
 Vloc: Norm-conserving Troullier-Martins form; l= 3;e=   0.0000E+00
 Projector method: Vanderbilt (polynomial pseudization)
 Sinc^2 compensation charge shape zeroed at rc

Number of basis functions     6
 No.   n    l      Energy         Cp coeff         Occ
    1    3    0 -4.0003120E+00  3.0851069E+00  2.0000000E+00
    2    4    0 -3.0513240E-01  3.7839829E+01  2.0000000E+00
    3    3    1 -2.4700361E+00 -6.2920634E-01  6.0000000E+00
    4    4    1 -1.0879911E-01 -3.6592677E+01  0.0000000E+00
    5    3    2 -2.4760432E-01 -4.4457767E+00  1.0000000E+00
    6  999    2  2.0000000E+00 -2.9116349E+00  0.0000000E+00
evale from matrix elements -1.55990626229451000E+02