LWAVEH5: Difference between revisions
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If {{TAG|LWAVEH5|True}}, the Kohn-Sham orbitals, i.e., wavefunctions, are written to the {{FILE|vaspwave.h5}} file at the end of the calculation. This can be used to restart VASP. | If {{TAG|LWAVEH5|True}}, the Kohn-Sham orbitals, i.e., wavefunctions, are written to the {{FILE|vaspwave.h5}} file at the end of the calculation. This can be used to restart VASP. | ||
{{NB|deprecated|{{TAG|LWAVEH5}} is deprecated as of VASP 6.4.3 and is not read/used by the code.}} | {{NB|deprecated|{{TAG|LWAVEH5}} is deprecated as of VASP 6.4.3 and is not read/used by the code. It was introduced in VASP 6.1.0.}} | ||
== Related tags and articles == | == Related tags and articles == | ||
Latest revision as of 08:42, 11 March 2026
LWAVEH5 = [logical]
Default: LWAVEH5 = LH5
Description: Determines whether the wavefunctions are written to vaspwave.h5 file at the end of a run.
If LWAVEH5 = True, the Kohn-Sham orbitals, i.e., wavefunctions, are written to the vaspwave.h5 file at the end of the calculation. This can be used to restart VASP.
| Deprecated: LWAVEH5 is deprecated as of VASP 6.4.3 and is not read/used by the code. It was introduced in VASP 6.1.0. |