[Pw_forum] Relaxtion
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Tue Nov 6 11:08:02 CET 2012
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 & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www: http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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