Dear all, Sorry if you have already received this, =========== Dear Sangkook Choi, Please sign your posts with your name and affiliation. You can find the information you need in the INPUT_LD1.* file in the Doc directory. > 1) is it possible to generate norm conserving pseudopotentials with multiple > projectors, and semicores by LD1?
As far as I know, NC with multiple projectors correspond to pseudotype=2. "Semicore is tricky. Please read carefully the documentation on how to generate PP in atomic_doc/pseudo-gen.tex" quoting from P. Giannozzi. 2)nns is the principal quantum number in the "pseudo" atom. You can double check with this: number of nodes=nns-lls-1 In your case for nns: 5s=>1, 5p=>2, 5d=>3, 6s=>2,6p=>3 hope this helps, emine kucukbenli, phd student, sissa, italy. ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by Horde http://www.horde.org/
