Dear all,
I am doing a 'vc_relax' calculation of GaN.
Getting the following message several times in the output file although the
calculation is continuing:
------
iteration # 11 ecut= 100.00 Ry beta= 0.10
Davidson diagonalization with overlap
c_bands: 1 eigenvalues not converged
c_bands: 3 eigenvalues not converged
c_bands: 2 eigenvalues not converged
c_bands: 1 eigenvalues not converged
c_bands: 1 eigenvalues not converged
c_bands: 1 eigenvalues not converged
c_bands: 4 eigenvalues not converged
c_bands: 3 eigenvalues not converged
c_bands: 3 eigenvalues not converged
c_bands: 2 eigenvalues not converged
c_bands: 3 eigenvalues not converged
c_bands: 3 eigenvalues not converged
c_bands: 1 eigenvalues not converged
c_bands: 1 eigenvalues not converged
c_bands: 1 eigenvalues not converged
ethr = 1.58E-05, avg # of iterations = 16.8
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Please tell me
1. how much serious is this message and
2. how to get rid of this message?
Regards,
Pabitra Mandal
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