[Pw_forum] (no subject)

Paolo Giannozzi giannozz at democritos.it
Mon Sep 1 11:29:23 CEST 2008


anna.ferrari at unito.it wrote:

> 1)in restart_mode
> restart is done from wavefunction or from density?

typically from both

> 2) what is ecutrho exactly and what happens if a value is
> not provided?

ecutrho is the cutoff for the charge density: ecutrho=4*ecutwfc
for norm-conserving PP (this is the default), ecutrho=N*ecutwfc
with N something between 6 to 12 for ultrasoft PP

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


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