[Pw_forum] DOS Calculation
kanakeee08 at gmail.com
Thu Sep 10 13:34:07 CEST 2015
I am facing problems in DOS calculation. I wanted to run the given example
in reference. I ran example 02 for this. The example is on bulk Ni. I ran
scf-> nscf and then went for dos.
outdir='D:\QuantumEspresso\Quantum ESPRESSO 64-bit 5.1.2-mpich2\ni'
Emin=5.0, Emax=25.0, DeltaE=0.1
I used dos.x package for this. However I am getting the following error:
Error in routine dos (1):
reading dos namelist
I can't figure out what's wrong. Can you help?
Thanks in advance.
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