Showing posts with the label BANDShow all
FUNCTIONALS
XC functionals ( BAND )
Density Functional The starting point for the xc functional is usually the result for the homogeneous electron gas, after which so called nonlocal or generalized gradient corrections (GGA: General…
BAND
BAND code ?
Introduction Amsterdam Density Functional Band-structure program (BAND) can be used for calculations on periodic systems, i.e. polymers, slabs and crystals, and is supplemental to the molecular…
