vaspwave.h5

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Revision as of 12:32, 17 October 2023 by Miranda.henrique (talk | contribs)

The vapwave.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.

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