LCHARGH5: Difference between revisions
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{{TAGDEF|LCHARGH5|[logical]|{{TAG|LH5}}}} | {{TAGDEF|LCHARGH5|[logical]|{{TAG|LH5}}}} | ||
Description: {{TAG|LCHARGH5}} | Description: Determines whether the charge densities are written to {{FILE|vaspwave.h5}}. | ||
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In most case it is enough to set {{TAG|LH5}} and/or {{TAG|LCHARG}} with the following exception: Explicitly set {{TAGDEF|LCHARGH5|T}} in order to get the charge density to the {{FILE|vaspwave.h5}} for plotting with {{py4vasp}} while running a calculation with {{TAGDEF|LH5|F}} 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 == | == Related tags and articles == | ||
{{TAG|LWAVE}}, {{TAG|LWAVEH5}}, {{TAG|LCHARG}}, {{TAG|LH5}} | {{TAG|LWAVE}}, {{TAG|LWAVEH5}}, {{TAG|LCHARG}}, {{TAG|LH5}} | ||
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[[Category:INCAR tag]][[Category:Charge density]] | [[Category:INCAR tag]][[Category:Charge density]] | ||
Revision as of 11:01, 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 = T in order to get the charge density to the vaspwave.h5 for plotting with py4vasp while running a calculation with LH5 = F where restart information (wave functions, etc) is written to legacy files (WAVECAR).
| Mind: LCHARGH5 is available as of VASP version 6.0 |