On 6 November 2012 10:11, Giovanni Pizzi <giovanni.pizzi at epfl.ch> wrote:
> try also to put the &electrons namelist before ions and cell. This > should solve the problem. > > That is it! I'm not sure it is stated in the documentation, but &electrons must always preced &ions and &cell... -- 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121106/49bc1dae/attachment.html
