[Pw_forum] Projected DOS
petercybertron at gmail.com
Fri Sep 11 22:05:21 CEST 2015
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?
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 :
> outdir='D:\QuantumEspresso\Quantum Espresso 64-bit
> 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
> EEE, BUET
> Pw_forum mailing list
> Pw_forum at pwscf.org
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