[Pw_forum] Relaxtion

[Sakhrawi Taoufek]

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>
À : PWSCF Forum <pw_forum at pwscf.org> 
Envoyé 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 & 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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