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 7.4),
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 .

For a molecular dynamics (IBRION=0 see section 6.22) 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+00corresponds to the current temperature, to the total free energy (including the kinetic energy of the ions and the energy of the Nosé thermostat). and have been explained. is the kinetic energy, is the potential energy of the Nosé thermostat and the corresponding kinetic energy.

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

N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at