[QE-developers] Density of states Calculation issue
Paolo Giannozzi
paolo.giannozzi at uniud.it
Thu Nov 10 11:11:18 CET 2022
I cannot reproduce you problem. In any case: you should perform DOS
calculations on a single CPU. A DOS calculation is fast and is not
parallelized.
Paolo
On 10/11/2022 06:25, ameet kumar wrote:
>
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> Hello,
> This is Ameet Kumar, from Kyungpook National University, South Korea. I
> am performing a density of states (dos) calculation on quantum espresso
> version 7.1. I am facing an issue that the *job done tag is printing at
> the centre of the output file*. Due to that some of the results are
> misprinted. Here, I am attaching the submission script, input and output
> files of dos calculation. If you look carefully, the results from E
> (-18.46eV to -17.46eV) are not printed due to *JOB DONE tag. *This error
> is only appearing in dos calculation.**
> So, I would like to know about the issue and will be very grateful if
> you help me to resolve that issue.
> Thanks
>
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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