[Pw_forum] files for PP and guess

Paolo Giannozzi giannozz at democritos.it
Thu Sep 4 11:11:43 CEST 2008


Anna Maria Ferrari wrote:

> I suppose i need a better value of ecutrho than default
> but i see in the manual i can also change nr* and nr*s.

but you shouldn't: they are automatically calculated

> 2) in plot x0* ed e1* coordinates are refered to the crystal coordinates? 
> (or the a_0 ones)

a_0 units
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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