[QE-developers] Request for Assistance with Non-Convergence Issue in VC Relax Calculation

[Shashank Shekhar]

Dear Quantum Espresso Developer,

I hope this email finds you well. I am writing to seek assistance regarding
a non-convergence issue that I am encountering in a VC relax calculation
using Quantum Espresso.

I have attached the input files and relevant details of the simulation for
your reference. Despite multiple attempts and adjustments to the input
parameters, the calculation fails to converge satisfactorily.

I would greatly appreciate any insights, suggestions, or guidance you could
provide to help resolve this issue. Additionally, if there are any specific
troubleshooting steps or alternative approaches that you recommend, please
do not hesitate to share them.

Thank you very much for your attention to this matter. Your expertise and
support are invaluable to the Quantum Espresso community, and I am
confident that your assistance will help address this challenge effectively.

Looking forward to your response.

Best regards,
Shashank Shekhar

__
Shashank Shekhar
Research Scholar
Catalytic Reaction Engineering
Department of Chemical  Engineering
Indian Institute of Technology Delhi
Hauz Khas, New Delhi-110016, India.
Mobile No.: +91 7903460326
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