manual   quickstart   instguide   update   basis

Next: 17.2.2 Thresholds (DFTTHRESH) Up: 17.2 Directives Previous: 17.2 Directives   Contents   Index   PDF

17.2.1 Density source (DENSITY, ODENSITY)

DENSITY,orbc.filec,$\dots$ ODENSITY,orbo.fileo,$\dots$

For non-self-consistent DFT calculations, specifies the source of the density matrix. The total density is read from orbc.filec, with further options specifying density sets in the standard way as described in Section 4.11. ODENSITY can be used to specify the spin density. The defaults are the densities last written by an SCF or MCSCF program. 2018-06-21