Edit TiC.in2 and set EMIN to -1.0
TOT (TOT,FOR,QTL,EFG,FERMI)
-9.0
16.0 0.50 0.05 EMIN,
NE, ESEPERMIN, ESEPER0
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
14. GMAX
NOFILE FILE/NOFILE write recprlist
Recalculate the valence density
without 3s and 3p
x lapw2
Edit TiC.in5
-1 -1 0 4 # origin of plot (x,y,z,denominator) -1 3 0 4 # x-end of plot 3 -1 0 4 # y-end of plot 3 2 3 # x,y,z number of shells 100 100 # x, y plotting mesh, choose ratio similar to x,y length RHO ANG VAL NODEBUG ORTHO
Calculate electron density
x lapw5
Plot electron density
rhoplot_lapw
Reset EMIN in TiC.in2