# -*-shell-script-*-
# Monte Carlo simulation of Stinger-Weber Silicon
setnolog
setoverwrite
dirname = runs/si-mc
#------------------------------------------------------------
#Create Perfect Lattice Configuration
#
latticestructure = diamond-cubic
latticeconst = 5.4309529817532409 #(A) for Si
makecnspec = [ 1 0 0 4
               0 1 0 4
               0 0 1 4 ]
makecn  finalcnfile = perf.cn writecn 
#-------------------------------------------------------------
#
#Plot Configuration
#
atomradius = 0.9 #bondradius = 0.3 bondlength = 2.8285 #for Si
atomcolor = orange highlightcolor = purple  bondcolor = red backgroundcolor = gray
fixatomcolor = yellow
color00 = "orange"  color01 = "purple" color02 = "green"
color03 = "magenta" color04 = "cyan"   color05 = "purple"
color06 = "gray80"  color07 = "white"
plot_color_windows = [ 2
                          -10 -4.5 0  #color00 = orange
                          -4.5 10  1  #color01 = purple
                     ]
plot_atom_info = 1
plotfreq = 10
rotateangles = [ 0 0 0 1.2 ]
openwin alloccolors rotate saverot refreshnnlist eval plot
#sleep quit
#------------------------------------------------------------
#Monte Carlo Simulation
#
totalsteps = 500000 saveprop = 1 openpropfile savepropfreq = 100 printfreq = 5000
T_OBJ = 600  mcatom = -1 timestep = 0.008 #Angstrom
#randseed = 10129 srand48
srand48bytime
runMC finalcnfile = final.cn writecn quit
#
sleep
quit

