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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