<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:14pt"><DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif"><BR>Dear All,</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif"> How can one move some of the orbitals to be in the valence rather than being semicore or vise versa.</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif">Is it in the case.inst file , if so there is no flixibility since one has to use the inert gas as the core and this does't help sometimes specially if d orbitals are full.</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif"> </DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif">Please correct me if I'm wrong</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif">Thanks in advance</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif">Hazem</DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif"> </DIV>
<DIV style="FONT-SIZE: 14pt; FONT-FAMILY: times new roman, new york, times, serif"> </DIV></div><br>
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