[Pw_forum] Charge density overwrite?

[Paolo Giannozzi]

On Wednesday 17 May 2006 18:48, Paolo Giannozzi wrote:

> If you end up with a strange charge density, please comment
> line 56 in PW/punch.f90 : 
>   IF ( .NOT. lscf .AND. .NOT. lbands ) CALL sum_band()
> which recalculates the charge density. I think this is completely
> useless now.

well, not really: it recalculates state occupations, so it is definitely
needed in some cases

P.
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy