used H and Pt.pbe-mt_fhi.UPF recently and investigated work function
(amongst other things) and I didn't encounter any problems:
Controlled FCC/on-top binding of H/Pt(111) using surface stress
http://dx.doi.org/10.1016/j.apsusc.2016.03.173
With thanks
Ian
On Thu, Apr 21, 2016 at 4:57 PM, Heppl
Dear all,
I am having difficulties with calculating the work function of various metals
(Au and Pt in particular) using the X.pbe-mt_fhi.UPF and X.pbe-n-nc.UPF pseudo
potentials. Unlike in the example in WorkFct_example in PP I am regularly
getting a positive Fermi energy and a vacuum level
