[Pw_forum] error in running pw.x in scf mode.

[mohamed makhyoun]

Dear Sir:

I am sorry I discovered a forgotten second K_POINTS card at the bottom of the input file.

Thank you for the tip.

Best regard

Mohamed


--- On Wed, 3/7/12, Lorenzo Paulatto <Lorenzo.Paulatto at impmc.upmc.fr> wrote:

From: Lorenzo Paulatto <Lorenzo.Paulatto at impmc.upmc.fr>
Subject: Re: [Pw_forum] error in running pw.x in scf mode.
To: pw_forum at pwscf.org
Date: Wednesday, March 7, 2012, 12:40 PM

On Wed, 07 Mar 2012 01:02:54 +0100, mohamed makhyoun <makhyoun2 at yahoo.com>  
wrote:
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      from  card_kpoints  : error #         2
>       two occurrences
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Dear Mohamed,
this happens if (an only if) your input file includes 2 or more lines like:
K_POINTS ...

please double check that this is not the case. If you are sure it is not,  
provide more information, like compiler version, code version, a tar.gz of  
all your input.

kind regards

-- 
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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