What PAW pseudopotentials for AM05 functionals?
Posted: Mon Jan 31, 2011 12:48 pm
Hi,
I am wondering what set of PAW pseudopotentials should be used in combination with AM05 (GGA=AM) functional calculations. Is VASP supplying AM05 specific pseudopotentials for the elements?
I tried to use myself PAW_PBE pseudopotentials with AM05 but the calculations faced severe convergence problems. Since then I had been wondering there should be a right set of pseudopotentials, available, for AM05.
I would appreciate if "admin" specifically comments on this issue, for which thanks in advance.
Regards,
Sankh
<span class='smallblacktext'>[ Edited ]</span>
I am wondering what set of PAW pseudopotentials should be used in combination with AM05 (GGA=AM) functional calculations. Is VASP supplying AM05 specific pseudopotentials for the elements?
I tried to use myself PAW_PBE pseudopotentials with AM05 but the calculations faced severe convergence problems. Since then I had been wondering there should be a right set of pseudopotentials, available, for AM05.
I would appreciate if "admin" specifically comments on this issue, for which thanks in advance.
Regards,
Sankh
<span class='smallblacktext'>[ Edited ]</span>