# ----shell script -----
#---create perfect bcc crystal ----
#--------------------------------------------

#setnolog
setoverwrite
dirname=runs/bcctest

#------create crystal-----

latticestructure=body-centered-cubic  latticeconst=5.1472
makecnspec = [ 1   0  0  10  # x-direction
	       0   0  1    20  # y-direction
	       0  1  0  8  # z-direction
	      ]           
makecn finalcnfile=si-0k-perf.cn writecn
input=[1   -0.6  0.6  0.3 0.6  -0.6 0.6] fixatoms_by_position
input=[1   -0.6  0.6  -0.6 -0.3  -0.6 0.6] fixatoms_by_position
removefixedatoms

#-------plot config--------
NCS=8
RLIST=6
atomradius=1.7  bondradius=0.2  bondlength=0
atomcolor=orange  highlightcolor=green  backgroundcolor=white
plotfreq=10  rotateangles=[0 0 0 1.50]
color00="red" color01="orange" color02="yellow" color04="cyan"
color05="blue" color06="magenta" color07="gray80"
color08="purple"
plot_color_axis=2
plot_color_windows=[3
		   0 4 5
		   4 10 1 
		  10 50 7]

#---------------------------
plot_atom_info = 1 plotfreq=10
win_width=800	win_height=800
openwin alloccolors rotate saverot refreshnnlist eval plot
sleep quit
#--------------------------------------------------------		


