energy_corrections.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	energy_corrections
	Routines for an energy correction on top of a Kohn-Sham calculation.

Functions/Subroutines
subroutine, public	energy_corrections::energy_correction (qs_env, ec_init, calculate_forces)
	Energy Correction to a Kohn-Sham simulation Available energy corrections: (1) Harris energy functional (2) Density-corrected DFT (3) Energy from external source.