&control title=Ni2MnGe calculation='scf' prefix = 'ni2mnal' pseudo_dir = './', outdir='/scratch/ni2mnalG' restart_mode='from_scratch', / &SYSTEM ibrav = 2, celldm(1) = 10.969, nat = 4, ntyp = 3, ecutwfc = 27, ecutrho =300.0 degauss=0.005 smearing='mp' occupations = 'smearing' , nspin = 2 , starting_magnetization(1) = 0, starting_magnetization(2) = 1, starting_magnetization(3) = 0, / &ELECTRONS / ATOMIC_SPECIES Ni 58.6934 Ni.pbe-nd-rrkjus.UPF Mn 54.938049 Mn.pbe-sp-van.UPF Ge 72.61 Ge.pbe-d-van.UPF ATOMIC_POSITIONS alat Ni 0.250000000 0.250000000 0.250000000 Ni -0.250000000 -0.250000000 -0.250000000 Mn -0.500000000 -0.500000000 -0.500000000 Ge 0.000000000 0.000000000 0.000000000 K_POINTS automatic 10 10 10 0 0 0