Vaspgamma.h5: Difference between revisions
(Created page with "The {{FILE|vaspgamma.h5}} file is an input file used when {{TAG|ICHARG}}=5 is set. It is read by VASP during an electronic minimization to incorporate additional occupation changes per k-point and orbital before calculating a new charge density. The file is only read when VASP is compiled with HDF5 support enabled and the {{FILE|GAMMA}} is not present. {{Available|6.5.0}} ---- {{NB|mind|When reading and writing from and to hdf5 archive...") |
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== Related tags and articles == | == Related tags and articles == | ||
{{TAG|ICHARG}}, {{FILE|vasp.lock}}, {{FILE| | {{TAG|ICHARG}}, {{FILE|vasp.lock}}, {{FILE|GAMMA}} | ||
== References == | == References == | ||
Revision as of 11:21, 17 February 2025
The vaspgamma.h5 file is an input file used when ICHARG=5 is set. It is read by VASP during an electronic minimization to incorporate additional occupation changes per k-point and orbital before calculating a new charge density. The file is only read when VASP is compiled with HDF5 support enabled and the GAMMA is not present.
| Mind: Available as of VASP 6.5.0 |
| Mind: When reading and writing from and to hdf5 archives with VASP while it is running the tag LSYNCH5 should be set to True. |