energyloop Subroutine

public subroutine energyloop(my_rank, mpi_size, ITSCF, cell, vpot, shapefun, zatom, natom, nspin, lmaxatom, lmaxd, density, ielast, ez, wez, config, gmat, gmatonsite, tmat, energyparts, ldau)

for all energies in the energy loop: - t-matrix is calculated - dyson equation is solved - density is calculated

calculate the t-matrix out of the potential #

                  Start the energy loop

calculate the Greens functions

#######################333

calculate the density out of the onsite greens function

#######################333

                  Start the energy loop

Arguments