[Pw_forum] reading_namelist error #19

[Elie M]

Professor Marzari,
Sorry my mistake, I have not pasted the CELL_PARAMETERS section. The error is still there with the presence of CELL_PARAMETERS.
Thanks
&control

    prefix='Graphyne',

    calculation='vc-relax',

    restart_mode='from_scratch',

    tstress=.true.,

    tprnfor=.true.,

    verbosity='high',

    pseudo_dir =
'/home_cluster/fis718/eliemouj/espresso-4.3.2/pseudo',

    outdir='/home_cluster/fis718/eliemouj/espresso-4.3.2/Graphyne/GRAPHYNEDIR',

          

 /

 &system   


    ibrav= 0, nat=8, ntyp= 2, ecutwfc =32,
ecutrho=288,occupations='smearing', smearing='mv',degauss=0.02

 

/

 &electrons

    conv_thr=1.D-7,     

    mixing_beta=0.3D0,

    mixing_mode='local-TF',

   
diago_david_ndim=2,     

 /

 &ions

     ion_dynamics='bfgs'

 /

  &cell

     cell_dynamics='bfgs',

          

 /

CELL_PARAMETERS
(alat) {hexagonal}

0.500000000    0.866025404 0.000000000    

0.500000000   -0.866025404 0.000000000    

0.000000000    0.000000000 6.293266205 .............
> Date: Wed, 8 Aug 2012 16:27:42 +0200
> From: nicola.marzari at epfl.ch
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] reading_namelist error #19
> 
> On 08/08/2012 16:18, Elie M wrote:
> > Hello all,
> >
> >   &system
> >      ibrav= 0, celldm(1)= 9.008277, nat=8, ntyp= 2, ecutwfc =32,
> > ecutrho=288,occupations='smearing', smearing='mv',degauss=0.02
> 
> 
> your unit cell is not well defined -  ibrav 0 requires cell_parameters
> 
> http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#id1486403
> 
> 
> 
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
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