please post your input as well!
On Fri, Jan 31, 2014 at 1:40 PM, ehsan targholi <targholi at gmail.com> wrote: > hi > Quantum espresso users > i have been calculate nscf calculation for graphene with 8 atom. > i use this method for this calculation : relax -> scf -> nscf ->dos > and in scf calculation i use atomic position & cell_parameter from relax > output. > but nscf calculation give this message: > > Band Structure Calculation > Davidson diagonalization with overlap > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > c_bands: 1 eigenvalues not converged > > i am worry about eigenvalues not converged. is it important this message? > or i could ignore ? > pleas guide me > > > best regard > > Ehsan Targholi > graduate student of chemistry department of iust > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140131/4963f8c9/attachment.html
