LWRITE UNK: Difference between revisions
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'''Mind''': To plot Wannier orbitals with WANNIER90 the cell-periodic parts of the Bloch functions <math>|u_{nk}\rangle</math> should be present in form of unformated files with filename "UNK...". These files are only written if the INCAR contains following line: | '''Mind''': To plot Wannier orbitals with WANNIER90 the cell-periodic parts of the Bloch functions <math>|u_{nk}\rangle</math> should be present in form of unformated files with filename "UNK...". These files are only written if the INCAR contains following line: | ||
LWRITE_UNK = .TRUE. | |||
Revision as of 13:30, 4 March 2019
LWRITE_UNK = .TRUE. | .FALSE.
Default: LWRITE_UNK = .FALSE.
Description: LWRITE_UNK decides whether the cell-periodic part of the relevant Bloch functions is written.
For details on the execution of wannier_setup in VASP, see the description of the LWANNIER90-tag. For information on the many tags one may set in the wannier90.win file to control the execution of WANNIER90 (be it standalone or in library mode) we refer to the WANNIER90 manual.
Mind: To plot Wannier orbitals with WANNIER90 the cell-periodic parts of the Bloch functions should be present in form of unformated files with filename "UNK...". These files are only written if the INCAR contains following line:
LWRITE_UNK = .TRUE.
Related Tags and Sections
LWANNIER90, LWRITE_MMN_AMN, LWRITE_UNK