! linear scaling SCF &LS_SCF ! SIGN_MATRIX, only effective if the chemical potential is known in advance PURIFICATION_METHOD SIGN_MATRIX ! threshold used to determine sparsity and thus speed and accuracy EPS_FILTER 1E-7 ! convergence for the SCF EPS_SCF 1E-5 ! chemical potential, an energy from within in the HOMO-LUMO gap MU -0.15 S_PRECONDITIONER ATOMIC &END