LCHARGH5: Difference between revisions
(Created page with "{{TAGDEF|LCHARGH5|[logical]|{{TAG|LH5}}}} Description: {{TAG|LCHARGH5}} determines whether the charge densities are written to {{FILE|vaspwave.h5}}. == Related tags and arti...") |
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{{TAGDEF|LCHARGH5|[logical]|{{TAG|LH5}}}} | {{TAGDEF|LCHARGH5|[logical]|{{TAG|LH5}}}} | ||
Description: | Description: Determines whether the charge densities are written to {{FILE|vaspwave.h5}}. | ||
---- | |||
In most case it is enough to set {{TAG|LH5}} and/or {{TAG|LCHARG}} with the following exception: Explicitly set | |||
{{TAG| | |||
{{TAGBL|LCHARGH5}}=True | |||
{{TAGBL|LH5}}=False | |||
in order to get the charge density to the {{FILE|vaspwave.h5}} for plotting with {{py4vasp}} while running a calculation where restart information (wave functions, etc) is written to legacy files ({{FILE|WAVECAR}}). | |||
{{NB|mind|{{TAG|LCHARGH5}} is available as of VASP version 6.0}} | |||
{{ | == Related tags and articles == | ||
{{TAG|LWAVE}}, {{TAG|LWAVEH5}}, {{TAG|LCHARG}}, {{TAG|LH5}} | |||
[[Category:INCAR tag | [[Category:INCAR tag]][[Category:Charge density]] | ||
Latest revision as of 11:03, 19 September 2025
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 |