[Pw_forum] Relaxtion

[Giovanni Pizzi]

Dear Sakhrawi,
try also to put the &electrons namelist before ions and cell. This 
should solve the problem.

Note also that in the K_POINTS card you probably want to specify
10 10 10 1 1 1
rather than
10 10 10 1

Best,
Giovanni Pizzi

-- 
Giovanni Pizzi
Post-doctoral Research Scientist
EPFL STI IMX THEOS
MXC 319 (Bâtiment MXC)
Station 12
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31159


On 11/05/2012 08:49 PM, Lorenzo Paulatto wrote:
>
>
> On 1 November 2012 16:36, Sakhrawi Taoufek <tsakhrawi at yahoo.com 
> <mailto:tsakhrawi at yahoo.com>> wrote:
>
>     %%%%%%%%%%%%%%%%%%%
>          from  read_namelists  : error #         1
>           reading namelist ions
>      %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
>
> Dear Sakhrawi,
> everything seems to be ok, maybe there is some strange character in 
> your input (you can check with "cat -v input.file" and see if anything 
> strange appears).
>
> In a desperate case, you may try to invert the order of the namelists 
> &cell and &ions, with some compiler one of the two orders is not good, 
> but I do not remember which.
>
> good luck
>
> -- 
> 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/ 
> <http://www-int.impmc.upmc.fr/%7Epaulatto/>
> mail:  23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 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://lists.quantum-espresso.org/pipermail/users/attachments/20121106/346dad35/attachment.html>