[Pw_forum] inconsistent DFT read

[Stefano de Gironcoli]

This means that the pseudopotentials used have been generated with 
different XC functionals.
you can see which XC is used looking inside the pseudopotential file.
stefano


?? 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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