Dear users, I am studying the properties of Ilmenite using Quantum Espresso 7.2. I have performed a relax calculation for the ilmenite structure but after 400 iterations convergence is not achieved. I have restarted those calculations again but have not achieved convergence.
I have attached the input file with this mail. Would you be able to advise on the recommended approach to solve this problem? output files: https://drive.google.com/drive/folders/1zyTNVXheas--C0sO7Mcnq-WnAPnH7O9j?usp=sharing Kind regards, Prasad -- The information of this email is confidential. If you have received it by error, please inform us by email and then delete the message. It is illegal to disclose the contents of this message to anyone. The integrity or security of this email cannot be guaranteed over the Internet. Therefore, the sender/university will not be responsible for any damage caused by this email. SINHALA <https://cmb.ac.lk/email-policy/sinhala#disclaimer> | TAMIL <https://cmb.ac.lk/email-policy/tamil#disclaimer>
relax.in
Description: Binary data
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