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NBMOD

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NBMOD = [integer]
Default: NBMOD = -1 

Desription: Controls which bands are used in the calculation of Band decomposed charge densities. Check also IBAND and EINT.


This integer variable can take the following values:

  • >0 Number of values in the array IBAND. If IBAND is specified, NBMOD is set automatically to the correct value (in that case NBMOD should not be set manually in the INCAR file).
  • 0 Take all bands to calculate the charge density, even unoccupied bands are taken into account.
  • -1 Calculate the total charge density as usual. This is the default value if nothing else is given.
  • -2 Calculate the partial charge density for electrons with there eigenvalues in the range specified by EINT.
  • -3 The same as before, but the energy range is given vs. the Fermi energy.

Related Tags and Sections

LPARD, IBAND, EINT, KPUSE, LSEPB, LSEPK, Band decomposed charge densities

Examples that use this tag


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