Error "Unreadable basis function type in basis input file, pre-screen" if using def2-SVP basis

[laobohou]

Hi Professor Schmidt,

I'm trying to do a periodic NBO analysis on CeO2 structure by VASP. I used def2-SVP basis from https://www.basissetexchange.org/.
After doing the static calculation with LNBO=T in INCAR, I can get wavefunction.dat. After that, I want to do: projection.exe basis.inp wavefunction.dat NBO.out, in which I put the def2-SVP basis in basis.inp file. However this command cannot work with the error "Unreadable basis function type in basis input file, pre-screen". I once assumed it was the error of the basis, but I've done some tests and this basis works for light elements, such as C and O. So, if I want to do a periodic NBO analysis on some heavy or rare-earth elements, may it be possible to use some basis that works for periodic NBO?

Thank you.

Best,
kr

[ganfisher]

The periodic NBO only supports Gaussian-type basis sets, and those of the elements with row>3 is pseudopotential-type for def2-series.