[Pw_forum] Projected DOS

[Peter Cybertron]

According the the error message "reading projwfc namelist", I think the 
error comes from the format of your input file, are you sure it is OK to 
include blank lines in your input file?

Yun-Peng

On 09/11/2015 04:03 PM, Kanak Datta wrote:
> Dear researchers
>
> I have been working on bilayer TMDC materials. I have been facing 
> problems with projwfc package.
>
> Although, for monolayer 2D materials, I was able to extract PDOS and 
> the simulation worked fine , whenever I tried a bilayer structure, the 
> projwfc would give the following error:
>
>      "Error in routine do_projwfc (5010):
>      reading projwfc namelist"
>
>
> My file for projwfc :
>
> &PROJWFC
>
> prefix='MoSSeAAA187',
> outdir='D:\QuantumEspresso\Quantum Espresso 64-bit 
> 5.1.2-mpich2\MoSSeAAA187\outdir',
>
> Emin=-30.0,
> Emax=50.0,
> DeltaE=0.1,
> flipdos='MoSSeAAA187.pdos_tot',
> filproj='MoSSeAAA1871.dos',
>
> /
>
> I cant figure out what's wrong with it. I am using ultrasoft 
> pseudopotatial with PBE exchange cor-relation. Can anyone help me?
> Thanks in advance
>
> Sincerely
>
> Kanak
> EEE, BUET
>
>
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