&general PREFIX = Si_333 MODE = RTA FCSXML = Si333_cubic.xml NKD = 1; KD = Si MASS = 28.0855 DT = 1.0 / &cell 10.2625 0.500000000000000 0.500000000000000 0.000000000000000 0.500000000000000 0.000000000000000 0.500000000000000 0.000000000000000 0.500000000000000 0.500000000000000 / &kpoint 2 10 10 10 /