ABINIT Discussion Forums

Dear Prof. Zwanziger Abinit will do this for you. Input the structure using the space group number and possibly the settings (spgroup, spgaxor, spgorig), use the asymmetric unit cell positions from the cif file, and set brvltt -1. Abinit will then find the primitive cell for you. If you want a less ...

Dear all,

I would like to obtain primitive cell coordinates from .cif file format
in order to calculate LDOS of some perovskites with abinit.
How can I obtain primitive cell coordinates from .cif?

# I hope this question is not so inappropriate here. Apologies if it was.

Thanks in advance.