On Fri, Apr 22, 2016 at 11:02 AM, Marc Blanchard < marc.blanch...@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) UPMC - Sorbonne Universités Tour 23 - Couloir 23/24 - 4e étage - Bureau 23 Case courrier 115 4 place Jussieu 75252 Paris Cedex 05 Tel: +33 (0)1 44 27 98 22 Fax: +33 (0)1 44 27 37 85 http://www.impmc.upmc.fr/~blanchard/ _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -- 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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