Dear all, Thanks. I suspected this was the problem but was confused by the fact that earlier versions seem to allow the change. And as far as I could tell I didn't get an error in the output file (in 5.0.2).
Anyway, it works will all the nr's specified. The Si example was a for instance but my real system is tetragonal so I needed to change only the nr3. Thanks, Vardha. On Sat, Mar 2, 2013 at 6:38 PM, Lorenzo Paulatto < lorenzo.paulatto at impmc.upmc.fr> wrote: > You must set all the three dimensions: nr1, nr2 and nr3 for your > setting to be taken in account. In the most recent versions of the > code there is a warning in the output if you specify only one of the > dimensions, I'll add a comment in the manual too. > > best regards > > > > -- > Dr. Lorenzo Paulatto > IdR @ IMPMC -- CNRS & Universit? Paris 6 > phone: +33 (0)1 44275 084 / skype: paulatz > www: http://www-int.impmc.upmc.fr/~paulatto/ > mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130304/f42a7148/attachment.html
