[CPMD-list] DAVIDSON| NOT ALL ROOTS ARE CONVERGED

[Sergei Lisenkov]

Dear CPMD authors and users,

I am performing geometry relaxation in TDDFT mode. In output file I have seen the next message:
....
    5     0.27560             4       0.18967253E-05       79.35
     6     0.27558             3       0.14962968E-05       40.73
     7     0.27552             3       0.19436983E-05       41.04
     8     0.27558             3       0.14962983E-05       78.91
     9     0.27556             3       0.12534833E-05       39.08
    10     0.27615             3       0.87845446E-03       42.09
    11     0.27556             3       0.12531615E-05       78.80
    12     0.27555             3       0.10936755E-05       40.27
    13     0.36236             3       0.13448259           42.31
 >>> RESIDUAL DIIS OPTIMIZATION OF ROOT                         3
  ITER      ENERGY      SUBSPACE             RESIDUAL        TCPU
     1     0.34136             1       0.73140030E-04       38.82
     2     0.34086             2       0.18153372E-04       39.70
     3     0.34067             3       0.13018395E-04       41.31
     4     0.34012             4       0.99779496E-05       40.60
     5     0.34013             4       0.72485720E-05       42.35
     6     0.33919             4       0.36165369E-04       38.52
     7     0.34013             4       0.72449107E-05       73.03
     8     0.34047             4       0.30520350E-03       42.24
     9     0.33935             4       0.23402906E-04       41.71
    10     0.34047             4       0.30504691E-03       79.44
    11     0.34006             4       0.65478783E-05       41.23
    12     0.33994             4       0.61508352E-05       38.78
    13     0.33974             4       0.54714752E-05       38.92
    14     0.33945             4       0.50588145E-05       40.67
    15     0.33902             4       0.48082073E-05       42.39
    16     0.33879             4       0.42508821E-05       39.94
    17     0.33849             4       0.42512206E-05       39.08
    18     0.33787             4       0.49817643E-05       41.54
    19     0.33849             4       0.42724747E-05       79.10
    20     0.33793             4       0.44100927E-05       41.06
 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 !! DAVIDSON| NOT ALL ROOTS ARE CONVERGED                      !!
 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
                                                                                                                                                             
 CALCULATION OF TDDFT FORCES
....

What this message foes mean? Should I stop calculations and make any changes?

Thanks,
 Best wishes,
   Sergey