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When I did MD calculations with VASP, I meet some problems. I got the following:
RMM: 13 -0.342857513085E+03 -0.33019E-04 -0.96752E-06 218 0.271E-03
4 T= 3809. E= -.30950592E+03 F= -.34285751E+03 E0= -.34285751E+03 EK= 0.315
13E+02 SP= 0.18E+00 SK= 0.17E+01
Information: wavefunction orthogonal band 158 0.8706
Information: wavefunction orthogonal band 159 0.8611
Information: wavefunction orthogonal band 162 0.8482
Information: wavefunction orthogonal band 159 0.8833
Information: wavefunction orthogonal band 160 0.7895
Information: wavefunction orthogonal band 161 0.8721
Information: wavefunction orthogonal band 162 0.8813
bond charge predicted
prediction of wavefunctions
Could you please help me out in resolving it?
The main parameters in my INCAR FILE is:
POTIM = 3.0
TEBEG = 353
TEEND = 1103
NSW = 100
Thanks a lot.

the message indicates that bands have crossed during the scf procedure, which causes difficulties in the
extrapolation of the wave functions and charge densities.
these errors occur after the 4th ionic step.
Most probably, the ionic step widths are too large (due to the elevated temperature) to make a reasonable prediction of the wavefunctions and the charges for the next step.
You could check this from the information about the atoms' positions (and forces) which are given at the end of each ionic step in OUTCAR