SIRIUS 7.5.0
Electronic structure library and applications
dft Directory Reference

Files

file  dft_ground_state.cpp [code]
 Contains implementation of sirius::DFT_ground_state class.
 
file  dft_ground_state.hpp [code]
 Contains definition and partial implementation of sirius::DFT_ground_state class.
 
file  energy.cpp [code]
 Total energy terms.
 
file  energy.hpp [code]
 Total energy terms.
 
file  lattice_relaxation.hpp [code]
 Lattice relaxation implementation.
 
file  smearing.cpp [code]
 
file  smearing.hpp [code]
 Smearing functions used in finding the band occupancies.