Dear Payam, > For example can I apply Ga.pw91-n-van.UPF and Ge.pw91-n-van.UPF along with > Ba.pw91-nsp-van.UPF?
They all have the same XC : pw91 Also from <PP_HEADER> : "SLA PW GGX GGC PW91 Exchange-Correlation functional" The "sp" in Ba.pw91-nsp-van.UPF refers to semicore states s&p being in valance, I believe. emine kucukbenli, phd student, sissa, italy ---------------------------------------------------------------- SISSA Webmail https://webmail.sissa.it/ Powered by Horde http://www.horde.org/
