[Pw_forum] ewald

ali kazempoor kazempoor2000 at yahoo.com
Wed Apr 23 12:58:26 CEST 2008


Dear all
I have two question?
1-the contribution of ion-ion interaction is only
participate in ewald energy or not?because in
calculation of isolated atom energy ,we see that the
ewald energy is not equal to 0.
2-ono electron energy is only kinetic energy or not?
thanks


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