comment !R0 =  2.8970
comment !A =   0.7102
comment !rho = 1.6047
comment !cubic box with boxl = 16.387907
comment rcut = 9.5
comment ! rho scaled = rho * r0 = 4.6488159
comment convergence tolerance is norm(gradient)=1e-3, or that RMS(gradient)=1e-3 / sqrt(3*natoms) = 3.6084391824351612d-05
comment scaled tolerance is tol / A = 5.08087747456e-05
comment scaled maxstep = maxstep / R0 = 0.690369347601
comment scaled boxl = boxl / R0 = 5.65685433207
comment scaled rcut = rcut / R0 = 3.2792544011
debug
bfgssteps 10000
bfgsmin 5.08087747456D-05
updates 100
maxbfgs 0.690369347601
params 4.6488159 5.65685433207 5.65685433207 5.65685433207  3.2792544011
bulk