[Pw_forum] atomic positions

[Abolore Musari]

Dear QE Users,
Am presently working on a system which is CaTiSiO5, symmetrie is monoclinic
some of my input read nat=8 and the atomic coordinates I saw  is for Ca, Si,
Ti, and O1 O2 O3 which am assuming oxygen should be up to five (I mean we
should still have for O4 and O5) instead of just three as reflected in the
chemical formula. What can I do? Pls can any1 explain this to me.
Thanks for ur usual anf favourable support.

Musari Abolore A
Ph.D student
Department of Physics.
University Of Agriculture, Abeokuta
Nigeria
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