LAECHG

From VASP Wiki
Revision as of 02:46, 22 August 2018 by Vaspmaster (talk | contribs)

LAECHG = .TRUE. | .FALSE.
Default: LAECHG = .FALSE. 

Description: when LAECHG=.TRUE. the all-electron charge density will be reconstructed explicitly and written out to file.


If LAECHG=.TRUE. is set VASP will reconstruct the all-electron charge density on the so-called "fine" FFT-grid. This FFT-grid consists of NGXF×NGYF×NGZF points in real space, and is the same FFT-grid that is used to represent the augmented pseudo charge densities of the USPP and PAW methods.

Related Tags and Sections

AECCAR0, AECCAR1, AECCAR2

Examples that use this tag


Contents