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Band decomposed chargedensity ( parameters)

VASP.4.4 can calculate the partial (band decomposed) charge density according to parameters specified in the file INCAR.

Mind that the partial charge density can be calculated only if a preconverged WAVECAR file exists, VASP enters the evaluation routine very quickly and stops immediately after evaluating the partial charge density. This implementation was chosen to allow a fast (almost interactive) recalculation of the charge density for particular bands and kpoints.

The following parameters control the behavior of VASP.


next up previous contents
Next: Berry phase calculations Up: The INCAR File Previous: Dipole corrections for defects   Contents
Georg Kresse
2007-03-01