My Community

For VASP.5.1 the aspherical contributions are properly accounted for in the Kohn-Sham potential as well. This
is essential for accurate total energies and band structure calculations for f-elements (e.g. ceria), all 3d-elements
(transition metal oxides), and magnetic atoms in the 2nd row (B-F atom).
1.My question is :Is not necessary to set "LASPH=.TRUE."when I relax the system ?And what about computing the DOS?
2.what's the difference between the result with LASPH=.TRUE and that with LASPH=.FALSE. in the energy and the bandstructure?

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP