debug
bfgssteps 1000
comment convergence tolerance is norm(gradient)=1e-3, or that RMS(gradient)=1e-3 / sqrt(3*natoms) = 9.36585D-05
comment bfgsconv 9.36585D-05
nohess
eigenonly 1D-13 0.99
USEDIAG 3
BFGSCONV 1D10
CONVERGE 1D10
maxbfgs 0.2 0.3
updates 4 30
READVEC