$ ase build H2|ase run nwchem -p xc=PBE -f .02
Running: H2
      Step      Time        Energy     fmax
LBFGS:   0  15:04:19    -31.487747    0.6220
LBFGS:   1  15:04:19    -31.492828    0.0378
LBFGS:   2  15:04:19    -31.492848    0.0020