comment natoms = 343
comment !R0 =  2.8970
comment !A =   0.7102
comment !rho = 1.6047
comment !cubic box with boxl = 90.
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) = 3.12D-5
comment scaled tolerance is tol / A = 4.3895D-5
comment scaled maxstep = maxstep / R0 = 0.690369347601
comment scaled boxl = boxl / R0 = 6.630583 6.562582 10.355540
comment scaled rcut = rcut / R0 = 3.2792544011
comment params 4.6488159 6.630583 6.562582 10.355540 3.2792544011 this line will be written in the run.sh
maxmax .1
debug
bfgsts 20 11 30 0.060 100
bfgssteps 10000
steps 200
updates 100 
maxbfgs 0.2 0.2
bulk
nohess
bfgsconv 4.3895D-5
permdist
READVEC
DUMPVECTOR
usediag 3