Information about convergence speed and about the current step is written to stdout and to the file OSZICAR. Always keep a copy of the OSZICAR file, it might give important information.

Typically you will get something similar to the following lines:

reading files WARNING: wrap around errors must be expected entering main loop N E dE d eps ncg rms rms(c) CG : 1 -.13238703E+04 -.132E+04 -.934E+02 56 .28E+02 CG : 2 -.13391360E+04 -.152E+02 -.982E+01 82 .54E+01 CG : 3 -.13397892E+04 -.653E+00 -.553E+00 72 .13E+01 .14E+00 CG : 4 -.13400939E+04 -.304E+00 -.287E+00 84 .48E+00 .39E-01 CG : 5 -.13401306E+04 -.366E-01 -.322E-01 69 .35E+00 .17E-01 CG : 6 -.13401489E+04 -.183E-01 -.169E-01 75 .74E-01 .66E-02 CG : 7 -.13401516E+04 -.267E-02 -.250E-02 68 .47E-01 .37E-02 CG : 8 -.13401522E+04 -.567E-03 -.489E-03 53 .15E-01 .90E-03 1 F= -.13401522E+04 E0= -.13397340E+04 d E = -.13402E+04 trial: gam= .00000 g(F)= .153E+01 g(S)= .000E+00 ort = .000E+00 charge predicted from atoms charge from overlapping atoms N E dE d eps ncg rms rms(c) CG : 1 -.13400357E+04 -.134E+04 -.926E+01 56 .97E+01

The next line gives information about the total
energy after obtaining convergence.
The first values is the total free energy `F` (at this
point the energy of the reference atom has been subtracted),
`E0` is the energy for (see section 9.4),
and `d E`
is the change in the total energy between the current and the last step;
for a static run `dE` is the entropy multiplied by *sigma*.

For a molecular dynamics (IBRION=0 see section 7.19) this line will is a little bit different:

1 T= 1873.0 E= -.13382154E+04 F= -.13401522E+04 E0= -.13397340E+04 EK= .19368E+01 SP= .00E+00 SK= .00E+00

Additional technical parameters and some status reports are also written to stdout.

Mon Mar 29 10:38:29 MEST 1999