[Pw_forum] Regarding choosing of pseudo-potentials (PPs)

[Phanikumar Pentyala]

Dear QE users & Developers

I am working on finding properties of doped metal oxides. Currently I am
doing relax calculations. I found difficult when choosing of
pseudopotentials (PPs) and there I observed three types of PS files:
Non-relativistic (NR), scalar-relativistic (SR) and full-relativistic (FR).
Can I use mixed type of these PPs  in whole relax calculation? OR I have to
use same type of PPs in whole relax calculation ?


Thanks in advance


Regards

Phanikumar
Research Scholar,
Chemical engineering department,
IIT Kharagpur,
India.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170514/7bf37c85/attachment.html>