[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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