Dear all,<br><br>I got a warning message when I was calculating a q-point:<br>"<br> negative rho (up, down): 0.440E-01 0.000E+00<br> Starting wfc are atomic<br><br> total cpu time spent up to now is 2121.82
secs<br><br> Band Structure Calculation<br> Davidson diagonalization with overlap<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged
<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged
<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged
<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged
<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged<br> WARNING: 1 eigenvalues not converged
<br> WARNING: 1 eigenvalues not converged<br> ethr = 5.26E-11, avg # of iterations = 17.2<br>"<br><br>Could you tell me what is the problem come from?<br><br>Thanks you very much.<br><br>Best regards<br>