qimpy.dft.electrons.xc

Exchange-correlation functional.

Classes

PlusU

DFT+U correction.

XC

Exchange-correlation functional.

Modules

qimpy.dft.electrons.xc.functional

Internal interface for XC functionals.

qimpy.dft.electrons.xc.lda

Internal LDA implementations.

qimpy.dft.electrons.xc.gga

Internal GGA implementations.

qimpy.dft.electrons.xc.mgga

Internal MGGA TPSS implementations.