Vaspgamma.h5

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Revision as of 11:16, 17 February 2025 by Hampel (talk | contribs) (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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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.


Related tags and articles

ICHARG, vasp.lock, vaspgamma.h5

References

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