[Pw_forum] Bug in Raman calcs with no-symmetries

[Paolo Giannozzi]

On Fri, Apr 22, 2016 at 11:02 AM, Marc Blanchard <
marc.blanchard at impmc.upmc.fr> wrote:

>
> To correct the bug:
> 1) The first instruction in both routines is
>      IF (nsym == 1) RETURN
>   This should be changed (in both routines) with
>     IF (nsym >= 1) THEN
>

"If (nsym > 1  THEN", I guess, or else the IF is completely useless. Could
you please point to a (simple!) example showing the bug? thank you

Paolo

2) then, you should add the line
    END IF
before the  comment "Bring to cartesian axis"


Best regards
Marc Blanchard & Michele Lazzeri

___________________________
Dr Marc Blanchard
Equipe de Minéralogie Environnementale
Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC)
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http://www.impmc.upmc.fr/~blanchard/


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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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