[Pw_forum] DOS Calculation
Filipe Camargo Dalmatti Alves Lima
flima at if.usp.br
Fri Sep 11 04:10:47 CEST 2015
Are you using Windows? I would suggest you delete the outdir line because
there are a lot of specials characters that might be sources of errors.
As default, the result will be written in the same folder you execute the
On Thu, Sep 10, 2015 at 8:34 AM, Kanak Datta <kanakeee08 at gmail.com> wrote:
> 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.
> 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.
> Sincerely yours
> EEE, BUET
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> Pw_forum at pwscf.org
Dr. Filipe Camargo Dalmatti Alves Lima
Pos-Doc at Materials Physics Department.
University of São Paulo, Physics Institute, Brazil.
Phones: +55 (11) 3091-6881 (USP)
+55 (11) 97408-2755 (Cellphone - Vivo)
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