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
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users