How to calculte the Electron Density without semi-core states

We will take the example of the TiC used in the userguide

When we look to the file TiC.scf2 we will find this part:

:CHA001: TOTAL VALENCE CHARGE INSIDE SPHERE   1 =   9.5406    (RMT=  2.0000 )
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G
:QTL001: 2.0689 5.9322 1.5208 0.0158 0.0000 0.0000 0.0000 0.8608 0.6600 0.0000 0.0000 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL001:  2.0051 -3.3427    5.7847 -1.6514    0.0913  0.0246    0.0029  0.0002
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi
:EPH001:  0.0640  0.4349    0.1477  0.5282    1.4295  0.5593    0.0129  0.5862

     

Discussion:  The states 3s and 3p for the atom of Ti are considered as semi-core states and they didn't participate in chemical bonding. Therefore we have to truncate them. The higher state (3p) is situated in the position -1.6514 Ry and to remove these states we have to choose a limit more than this value. Then we can choose the value of -1 Ry.

To apply this limit value, we have to do that in the file TiC.in2 as follows:

 TOT             (TOT,FOR,QTL,EFG,FERMI)
  -1.00   16.00   0.50 0.05  1   EMIN, NE, ESEPERMIN, ESEPER0, iqtlsave
TETRA    0.000      (GAUSS,ROOT,TEMP,TETRA,ALL      eval)
  0 0  4 0  4 4  6 0  6 4
  0 0  4 0  4 4  6 0  6 4
 12.00          GMAX
NOFILE        FILE/NOFILE  write recprlist