IBAND

IBAND = [integer array]
Default: IBAND = not set

Description: IBAND sets a list of bands that contribute to calculating the partial charge density.

IBAND selects a subset of bands for which the partial charge density is calculated when LPARD = .TRUE.. Partial charge densities are written to the PARCHG file, or one of its variants, depending on the setting of LSEPB and LSEPK.

Mind: Setting IBAND will automatically set NBMOD = N, where N is the number of bands passed to IBAND, regardless of the NBMOD setting in the INCAR file.

E.g. if

IBAND = 20 21 22 23 45

the charge density will be calculated for the four bands 20 to 23 and band 45, and NBMOD will be set to 5.

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