[Wien] total energy converting

[Stefaan Cottenier]

> thank you ver much. well i now the deference between
> VASP and wien2k, but i give you here the total energy
> of LiBH4:
> 1*-277.8168 Ry per unit cell (our calculation with
> Wien)
> 2*about 24 (ev/f.u) (Vajeeston et al with Vasp)
> 3*-333.816 ev performula unit (Kang et al(Appl.
> Phys.Lett 87 (2005) usin pw91method).
> my questions is if i a have a good result ?

Impossible to say from these numbers... Try to compare a quantity that  
has an absolute meaning: lattice constants, magnetic moments, ...

Stefaan


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