[Pw_forum] using ev.x

[Paolo Giannozzi]

Stefano de Gironcoli wrote:

>   using your data with ev.x I obtain very similar results using birch 1 
> & 2 and murnaghan EoS while very different when using keane EoS... this 
> indicates that keane EoS has met some problem (at least with your data...)

the Keane equation of state always gives results that are rather
different from those of the three other equations of state (which
instead invariably give very close results). I am quite sure
that it is correctly implemented, but I wouldn't use it.

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy