Dear QE users,
I am new to Quantum Espresso and would like to practice calculating DOS of Si
crystal. The scf and nscf calculation have been successfully carried out.
However, the calculation of DOS was failed. My version of QE is 6.5 and my
input file for DOS calculation is as the followed:
&DOS
prefix='si',
outdir='./outdir/',
fildos='si.dos',
Emin=-1.0,
Emax=1.0,
DeltaE=0.05,
/
In addition, the following is the error message appeared in the output file:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine dos (1):
reading dos namelist
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
I would like to ask how can I fix the problem and any suggestions are welcome.
Best regards,
Mong-Wen Gu
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