[QE-users] Calculation error Quantum Espresso 6.7

[Akash Saxena]

Dear User,

I am performing a relaxed calculation for my system of bilayer
graphene consisting of 48 atoms. But, my calculation halts after 2 SCF
steps stating the error that

 energy_new > energy_old

Please let me know why this error could have been generated and what should
I do to correct this?

Regards.
Akash
Savitri Bai Phule Pune University
Lucknow, India.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20211021/341b6285/attachment.html>