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
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