Vaspwave.h5: Difference between revisions
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{{TAG|LCHARGH5}}, {{TAG|LWAVEH5}}, {{FILE|WAVECAR}}, {{FILE|CHGCAR}}. | {{TAG|LCHARGH5}}, {{TAG|LWAVEH5}}, {{FILE|WAVECAR}}, {{FILE|CHGCAR}}. | ||
[[Category:Files]][[Category:Output files]] | [[Category:Files]][[Category:Output files]][[Category:HDF5 support]] | ||
Latest revision as of 14:54, 20 October 2023
The vaspwave.h5 file is the hdf5 counterpart of the WAVECAR and CHGCAR files. This file contains the orbitals in case LWAVEH5=.TRUE. is set in the INCAR file and the charge density when LCHARGH5=.TRUE. in the INCAR file. Calculations can be restarted from this file in the same manner as they could from the WAVECAR file.