[Pw_forum] Projected DOS

[Kanak Datta]

Dr. Paulatto

Thanks for your reply. Yes, the filpdos was wrongly written.I have
corrected that. Here are the scripts for projwfc:

The one used for monolayer MoS2(works fine)

&PROJWFC
 prefix='MoS210',
 outdir = 'D:\QuantumEspresso\Quantum ESPRESSO 64-bit
5.1.2-mpich2\MoS210\outdir',
  Emin=-30.0,
 Emax=50.0,
 DeltaE=0.1,
 filpdos='MoS210proj.pdos_tot',
 filproj='MoS210proj1.dos',
/

The one used for MoS2/MoSe2(shows error)

&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,
filpdos='MoSSeAAA187proj.pdos_tot',
filproj='MoSSeAAA187proj1.dos',
/

I get this error
"     Error in routine do_projwfc (1):
     reading projwfc namelist"

The namelist looks ok now. Still the error would not go.

Sincerely yours
Kanak
EEE, BUET
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