[Pw_forum] DOS Calculation
Kanak Datta
kanakeee08 at gmail.com
Thu Sep 10 13:34:07 CEST 2015
Dear researchers
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.
&dos
outdir='D:\QuantumEspresso\Quantum ESPRESSO 64-bit 5.1.2-mpich2\ni'
prefix='ni'
fildos='ni.dos',
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.
Sincerely yours
Kanak
EEE, BUET
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