[Pw_forum] Projected DOS
kanakeee08 at gmail.com
Fri Sep 11 22:03:34 CEST 2015
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
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