In data 15 luglio 2009 alle ore 11:25:36, ali kazempour <kazempoor2000 at yahoo.com> ha scritto: > I want to make ncpp for Ti by fhi2upf
Dear Ali, fhi2upf is not a pseudopotential generation code, but only a tool to convert pseudopotential from the abinit format to the quantum-espresso format. > and I make enter semicore electron . How can I do this? If the semicore electrons are included in the original abinit pseudopotential they will be in included in the resulting UPF file, at least they should. Are you having some specific problem? Which pseudopotential file are you trying to convert? best regards -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
