ABINIT Discussion Forums

Hi Xavier, Thanks for the response. I agree the modifications should be straightforward; in fact, I am trying something similar now in Espresso. If I were going to make an attempt at implementing CAM-B3LYP in Ab Init, could you direct me to the relevant files that would need to be modified or to som...

Hi all, As I am new to ABINIT, I browsed the forums and found that hybrid functionals (ie PBE0) and the range separated HSE06 were usable in latest release of ABINT via Libxc. I was wondering if other range separated functionals were both accessible via libxc - primarily CAM-B3lyp - and tested. My i...