LCHARGH5

From VASP Wiki
Revision as of 11:03, 19 September 2025 by Huebsch (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

LCHARGH5 = [logical]
Default: LCHARGH5 = LH5 

Description: Determines whether the charge densities are written to vaspwave.h5.


In most case it is enough to set LH5 and/or LCHARG with the following exception: Explicitly set

 LCHARGH5=True
 LH5=False

in order to get the charge density to the vaspwave.h5 for plotting with py4vasp while running a calculation where restart information (wave functions, etc) is written to legacy files (WAVECAR).

Mind: LCHARGH5 is available as of VASP version 6.0

Related tags and articles

LWAVE, LWAVEH5, LCHARG, LH5