[Pw_forum] eigenvalues not converged

[Sergey Lisenkov]

Dear PWscf authors,

I have such kind warnings and before I looked both in manual and forum. As people explained, this warning can be ignored, if it is not present in the last steps of self-consistency. But I got these warnings during NSCF calculations. Should I ignore them?


     k(  61) = (   0.4958678   0.0000000   0.0000000), wk =   0.0330579

     G cutoff = 2523.7443  (2055649 G-vectors)     FFT grid: (108,200,200)
     G cutoff = 1261.8722  ( 726943 G-vectors)  smooth grid: ( 72,144,144)

     nbndx  =   460  nbnd   =   115  natomwfc =   192  npwx   =    1825
     nelec  =  192.00 nkb   =   384  ngl    =   18515

     The initial potential is read from file      44-t2.pot
     Starting wfc are atomic

     total cpu time spent up to now is    533.89 secs

     Band Structure Calculation
     Davidson diagonalization (with overlap)
   WARNING:     4 eigenvalues not converged
   WARNING:     5 eigenvalues not converged
   WARNING:     5 eigenvalues not converged
   WARNING:     4 eigenvalues not converged
   WARNING:     5 eigenvalues not converged
   WARNING:     4 eigenvalues not converged
   WARNING:     4 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
   WARNING:     4 eigenvalues not converged
   WARNING:     5 eigenvalues not converged
   WARNING:     6 eigenvalues not converged
   WARNING:     6 eigenvalues not converged
   WARNING:     4 eigenvalues not converged
   WARNING:     4 eigenvalues not converged
   WARNING:     5 eigenvalues not converged
   WARNING:     6 eigenvalues not converged
   WARNING:     5 eigenvalues not converged
   WARNING:     5 eigenvalues not converged
   WARNING:     6 eigenvalues not converged
   WARNING:    18 eigenvalues not converged
   WARNING:     1 eigenvalues not converged
....

Sergey