[QE-users] Error in running DOS.x

[Paolo Giannozzi]

On Wed, Dec 2, 2020 at 3:26 AM Yichen Qian <yqian1 at villanova.edu> wrote:


> I don’t know which namelist I made mistake
>

it's written in the error message:

.     Error in routine dos (1):
>
     reading dos namelist
>

so it's this one:

>
> &dos
>  prefix='Tungsten'
>  outdir='W_output/'
>  ngauss=1
>  degauss=1.5d-2
>  DeltaE=1.0d-2
>  fildos='Tungsten.dos'
> /
>

 Note that the error might be in the way you provide the input, not in the
namelist itself (which looks to me 100% correct)

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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