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&PROP $ \ldots$ &END

The keyword PROPERTIES has to be present in the &CPMD-section of the input-file if this section shall be evaluated.


CHARGES

CONDUCTIVITY

CORE SPECTRA

CUBECENTER

CUBEFILE {ORBITALS,DENSITY} [HALFMESH]

DIPOLE MOMENT [BERRY,RS]

EXCITED DIPOLE

LDOS

LOCALIZE

OPTIMIZE SLATER EXPONENTS

LOCAL DIPOLE

NOPRINT ORBITALS

POLARISABILITY

POPULATION ANALYSIS [MULLIKEN, DAVIDSON, n-CENTER]

PROJECT WAVEFUNCTION

TRANSITION MOMENT

n-CENTER CUTOFF

AVERAGED POTENTIAL


next up previous contents index
Next: &RESP ... &END Up: List of Keywords by Previous: &DFT ... &END   Contents   Index

2006-03-29 cpmd@cpmd.org