ABINIT Discussion Forums

Hi everyone, I'm working on iron with "prtnabla". I use ATOMPAW v.3.0 to generate the PAW pseudopotential. With ATOMPAW, I put in the option prtcorewf to optain the core-wavefunction for a files formatted for abinit. It seems to work fine with the option prtnabla=1. When I use prtnabla=2 t...

Thank you very much.

Jiramate Changklom

Dear sir/madam I'm working on iron with PAW pseudopotentials. According to the PAW dataset on the website, it happens to be that the files "Iron GGA-PBE with_s_and_p_semicore" and "Iron LDA-Perdew-Wang-92 with_s_and_p_semicore" are exactly the same where they should not be. Is th...