Hi everyone,

I would like to calculate K-edge of oxygen XANES spectrum for CdO film. I attached my feff.inp file to this e-mail. When I check log1.dat file I observe next information:
"...
Electronic configuration
   iph    il      N_el
     0     0    1.953         //comment: 0-centr.atom (O)
     0     1    5.159
     0     2    0.040
     0     3    0.000
     1     0    0.723         //comment: 1-Cd
     1     1    0.711
     1     2   10.149
     1     3    0.000
     2     0    1.921         //comment: 2-O
     2     1    4.443
     2     2    0.052
     2     3    0.000
mu_new=    -5.168
Charge transfer: iph charge(iph)
       0   -0.152
       1    0.417
       2   -0.417
Done with module 1: potentials."

As is well known, orbital configuration for Cd and O is: 4d10 5s2 and 1s2 2s2 2p4, respectively. I think that obtained results for Cd differ much according to presented orbital configuration (s,p). So, my question is: do there exist some possibilities to change something in my feff.inp file to improve the results?

Best regards,
Iraida.