pwtools.calculators.Pwscf.default_parameters

Pwscf.default_parameters = {'atoms': None, 'backup': False, 'calc_name': 'pwscf', 'charge': 0.0, 'command': 'pw.x -input pw.in | tee pw.out', 'conv_thr': 1e-10, 'diagonalization': 'david', 'directory': '.', 'ecutrho': None, 'ecutwfc': 80.0, 'electron_maxstep': 500, 'ignore_bad_restart_file': False, 'kpts': 5.0, 'label': 'pw', 'mixing_beta': 0.3, 'mixing_mode': 'plain', 'outdir': None, 'pp': None, 'pseudo_dir': None, 'restart': None, 'smearing': None, 'xc': None}