&CONTROL prefix = "N", pseudo_dir = "/home/degironc/QE/espresso/pseudo", outdir = "/home/degironc/tmp", / &SYSTEM ibrav = 1, celldm(1) = 24.0 nat = 1, ntyp = 1, ecutwfc = 30.D0, ecutrho = 120.D0, do_ee = .true. nspin = 2, nelec = 5, nelup = 4, neldw = 1 / &ELECTRONS conv_thr = 1.D-7, mixing_beta = 0.7D0, / &EE which_compensation='martyna-tuckerman' / ATOMIC_SPECIES N 1.00 N.pbe-paw_kj.UPF ATOMIC_POSITIONS {bohr} N 0.000 0.0 0.0 0 0 0 K_POINTS Gamma