Hello, dear pwscf users: I have a question about the convergence of eigenvalues.
In section 11.1.0.24 of the user guide, it is mentioned that a warning of N eigenvectors not converged may signal serious trouble if it's presented in the last steps of self-consistency. (http://www.quantum-espresso.org/user_guide/node52.html#SECTION0001210240000000000000) But how about the non-scf calculations? In the bands and nscf calculations I got warning messanges as following: **example in band calculation (calculation = 'bands'): Computing kpt #: 28 c_bands: 1 eigenvalues not converged **example in nscf calculation (calculation = 'nscf'): Computing kpt #: 144 c_bands: 2 eigenvalues not converged Are they acceptable? Thank you and best regards, Lun Yue -- Empfehlen Sie GMX DSL Ihren Freunden und Bekannten und wir belohnen Sie mit bis zu 50,- Euro! https://freundschaftswerbung.gmx.de