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5.11 CHG file

This file contains the lattice vectors, atomic coordinates and the charge density at each tenth step i.e.


NSTEP starting from 1. To save disc space the precision of the written charge density is much lower than on the file CHGCAR. The basic idea of this file is to provide data for graphical systems like the IBM-Data-Explorer which can be used to generate sequences of pictures ('films') visualising the development of atomic coordinates and charges as a function of time. (For IBM's running the Data-Explorer a tool exists to convert the data on the file CHG to a valid Data-Explorer file format). From VASP version 2.0 it is possible to avoid, that the CHG file is written out by setting

in the INCAR file (see section 7.43). The data arrangement on the CHG file is similar to that for the CHGCAR file (see section 5.10).

Mon Mar 29 10:38:29 MEST 1999