On Sat, May 4, 2019 at 6:27 AM Yeon, Jejoon <[email protected]> wrote: For Ca, PBE is only available option from QE PP webpage, there is no PBESOL > for Ca yet. >
it can be easily generated from the PSLibrary. I have one on my computer that you can find here: http://www.fisica.uniud.it/~giannozz/Public/Ca.pbesol-spn-kjpaw_psl.1.0.0.UPF.xz (uncompress with "xz -d") Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
_______________________________________________ Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
