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.
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