[Pw_forum] Projected DOS

[Kanak Datta]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20150912/fbc37d25/attachment.html>