[Pw_forum] Quantum Espresso related error

Anindya Bose anindya at iiita.ac.in
Sat Jul 15 16:07:27 CEST 2017


Dear Sir,
While processing a mono-layer structure, I am getting a a problem "c band
not converging" in relax,nscf and band file and finally I am getting an
erroneous band structure.Can you please tell me , how to resolve this
issue.Do I need to alter any parameter to resolve it?

Thanks and regards,
Anindya Bose
Research Fellow,
IIIT Allahabad
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