Dear all
I want to calculate PMN, which contains Nb, Mg, Pb, O, within LDA. However,
there is only norm-consevring pseudopotential(NCPP) for Mg. There is ultrasoft
pseudopotentials(USPP) for Pb, O, Nb, i.e. Pb.vdb.UPF, O.vdb.UPF(as used in
example10) and Nb.vdb.UPF( which I generated using vanderbilt's code),
Can I use Mg's NCPP and other three's USPP together ?
As a test, I modified Exampel10, changed the Pb.vdb.UPF to Pb.bz-bhs.UPF, and
it gave good results, which is somewhat different from the result of original
exampel. Can these result be considered reliable?
Thanks in advance
sincerely
ruizhi zhang
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