from ase.build import bulk
from gpaw import GPAW, PW, FermiDirac
al=bulk('Al')
al
calc = GPAW(mode=PW(200),
            xc='PBE',
            kpts=(8, 8, 8),
            random=True,  # random guess (needed if many empty bands required)
            occupations=FermiDirac(0.01),
            txt='Al_gs.txt')
al.calc=calc
al.get_potential_energy()
calc.write('Al_gs.gpw')

