[QE-users] How to solve Error in routine C_bands Too many bands are not converged?
AISWARYA CHANDRAN
aiswarya_p210006cy at nitc.ac.in
Mon Jan 30 08:00:47 CET 2023
I am doing the optimization of a system of 51 atoms containing two dfferent
types of atoms C and N using M06 functional.I used the ONCV pseudo
potential for both C_ONCV_PBE-1.0.UPF and N_ONCV_PBE- 1.0 .UPF for C
and N respectively.But I am getting an output with the error :
*Error in routine C_bands*
*Too many bands are not converged*
I changed the pseudo potential for C and N as C_ONCV_PBE-1.2.UPF and
N_ONCV_PBE- 1.2.UPF . Again it shows the same error
*Error in routine C_bands*
*Too many bands are not converged*
What is the reason behind the problem.How can I solve this ?
Thanks in advance
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