STM calculation with VASP

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Revision as of 15:37, 10 December 2019 by Bob (talk | contribs) (New page: First you need to have your geometry and DOS calculations done. Once that is done you need to generate a PARCHG file. This is done by adding this into the INCAR: partial charge densities...)

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First you need to have your geometry and DOS calculations done. Once that is done you need to generate a PARCHG file. This is done by adding this into the INCAR:

partial charge densities:
  LPARD = .TRUE.
  LSEPK = .FALSE.
  LSEPB = .FALSE.
  NBMOD = -3
  EINT = -1.50 0

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