[Pw_forum] Antiferro

Naol Regassa greatnaol at gmail.com
Thu Oct 16 11:21:53 CEST 2008


Dear sir we were doing our scf calculation on peroviskites (CaMnO3)
and we know that it is fcc or orthorohmbic G-type antiferro with 10
atoms. When we prepare our input try to excute it tells us that we
have an error like 'wrong atomic positions(coordinates)' or 'existance
of overlaping of atoms'. What should we do to find(guess) the atomic
positions?



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