Dear SIESTA users! Has anyone had an experience of constructing ATOM input for GGA pseudopotential from the input data for LDA pseudo? For example, on SIESTA web page there are LDA pseudos for most elements, but no GGA pseudos. Can I use the input data for the LDA pseudo from SIESTA page to construct GGA pseudo? I'm interested, if I should change core radii and in what way.
Thanks in advance -- Yurko Natanzon PhD Student Henryk Niewodniczański Institute of Nuclear Physics Polish Academy of Sciences ul. Radzikowskiego 152, 31-342 Kraków, Poland Email: [EMAIL PROTECTED], [EMAIL PROTECTED]
