EINT

EINT = [real] [real]
Default: EINT = not set 

Description: EINT sets the energy interval for the calculation of the partial charge density in eV. Only bands within the energy interval EINT contribute to the partial charge density.

Mind: The energies set in EINT are interpreted as total energies if NBMOD = -2, but as relative to the Fermi energy $\epsilon _{f}$ if NBMOD = -3.

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• EINT= [real1] [real2]:

If two values are given, the energy interval between those values is used.

Mind: [real1] must be smaller than [real2].

• EINT= [real1]:

If only one value is given, the Fermi energy $\epsilon _{f}$ is used as the upper limit [real2] of the interval.

Two real values should be given, if only one value is specified, the second one is set to $\epsilon _{f}$. If EINT is given and NBMOD is not specified, NBMOD is set automatically to -2.

Related tags and articles

LPARD, NBMOD, IBAND, KPUSE, LSEPB, LSEPK, PARCHG, Band decomposed charge densities

Examples that use this tag

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