[Pw_forum] inconsistent DFT read

[Giovanni Cantele]

?? wrote:
> Dear All,
>
>    I have another problem here.
> the error message:
>
> from readpp : error #         2
>      inconsistent DFT read
>
> and input
>
>  &control
>      calculation = 'scf'
>      restart_mode='from_scratch'
>      prefix='BaNiAs',
>      pseudo_dir = '/disk2/xgwan/Quantum-Espresso/espresso-4.0.3/pseudo/',
>      outdir='/disk2/xgwan/tmp/'
>  /
>  &system
>      ibrav=7, celldm(1)=7.7702 , celldm(3)=2.806, nat=5, ntyp=3,
>      ecutwfc =18.0
>  /
>  &electrons
>      mixing_beta = 0.7
>      conv_thr =  1.0d-8
>  /
> ATOMIC_SPECIES
> Ba 56.00 Ba.pw91-nsp-van.UPF
> Ni 28.00 NiUS.RRKJ3.UPF
> As 33.00 As.gon.UPF
>
> ATOMIC_POSITIONS
> Ba 0.0000 0.0000  0.0000
> Ni 0.5000 0.0000  0.2500
> Ni 0.0000 0.5000  0.2500
> As 0.0000 0.0000  0.3476
> As 0.0000 0.0000  0.6524
>
> K_POINTS (automatic)
>
> 2 2 2 0 0 0
>
>
>  I do something stupig again.thanks for all the help.
>
> Have a nice day.
>
> Pan Deng
> Nanjing University
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> Pw_forum at pwscf.org
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>
>   
maybe, it could be helpful both using the QE Wiki and browsing the 
archive of this forum, where this kind of questions have been answered 
several times:

http://www.quantum-espresso.org/wiki/index.php/Troubleshooting_(PWscf)#pw.x_stops_with_.27inconsistent_DFT.27_error

http://www.democritos.it/pipermail/pw_forum/2004-September/001392.html

http://www.democritos.it/pipermail/pw_forum/2005-February/002148.html

....


giovanni




-- 



Dr. Giovanni Cantele
Coherentia CNR-INFM and Dipartimento di Scienze Fisiche
Universita' di Napoli "Federico II"
Complesso Universitario di Monte S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
Phone: +39 081 676910
Fax:   +39 081 676346
E-mail: giovanni.cantele at cnr.it
        giovanni.cantele at na.infn.it
Web: http://people.na.infn.it/~cantele
Research Group: http://www.nanomat.unina.it