[Pw_forum] Eigenvalue not converged in ph.x
see see
seesee0 at gmail.com
Fri Feb 16 11:47:26 CET 2007
Dear all,
I got a warning message when I was calculating a q-point:
"
negative rho (up, down): 0.440E-01 0.000E+00
Starting wfc are atomic
total cpu time spent up to now is 2121.82 secs
Band Structure Calculation
Davidson diagonalization with overlap
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
WARNING: 1 eigenvalues not converged
ethr = 5.26E-11, avg # of iterations = 17.2
"
Could you tell me what is the problem come from?
Thanks you very much.
Best regards
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