Your pseudopotential files are not the same of the quantum espresso web
site and are not in the usual text format. Unfortunately there is no
simple way to ensure that fortran reads correctly files that are not
usual text files.
Paolo
On 1/24/25 10:07, Paolo Giannozzi wrote:
You do not say which version you are using, do not provide an example,
so no way to locate the problem. Similar errors have been fixed in the
past:
https://gitlab.com/QEF/q-e/-/merge_requests/2472
https://gitlab.com/QEF/q-e/-/merge_requests/2429
Paolo
On 1/24/25 09:47, ASWATHY JAYAPRAKASH wrote:
Dear Quantum ESPRESSO Community,
I am encountering an issue while performing calculations for a series
of metals in my system, which is a single-atom catalyst. The problem
arises specifically during the relaxation step for certain metals,
while others run and relax successfully.
The error message displayed is:
*"End of file reached, closing tag not found."*
This issue only appears when attempting calculations with certain
metals. The input files and setup are otherwise consistent for the
entire series.
I would greatly appreciate it if anyone could provide insight into the
possible reasons behind this error and suggest potential solutions.
Thank you for your time and assistance!
With Regards
Aswathy Jayaprakash
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all
civilians worldwide who are victims of terrorism, military aggression,
and indiscriminate warfare.
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
_______________________________________________________________________________
The Quantum ESPRESSO Foundation stands in solidarity with all civilians
worldwide who are victims of terrorism, military aggression, and indiscriminate
warfare.
--------------------------------------------------------------------------------
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users
