Dear Lorenzo I added the hooks and it works without any change in the code. ########## ?[&ions?
?? /] ?[&CELL ? /] ######### thank you ________________________________ De?: Lorenzo Paulatto <lorenzo.paulatto at impmc.upmc.fr> ??: PWSCF Forum <pw_forum at pwscf.org> Envoy? le : Mardi 6 novembre 2012 11h08 Objet?: Re: [Pw_forum] Relaxtion 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 _______________________________________________ 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/20121106/8353177a/attachment.html
