Useful things to know

#eventhwc -v -f [base file name] -natom 67 -pos 0.7 0.15


#structa -v -f [base file name] -natom 67 -qsupercell


#transhwc2xyz -v -f [base file name] -natom 67 -mtrans 3 -smooth -zoom 0.1 -qsupercell


SUPERCELL FILE
	named .supercell. must be where you're working. looks like

	1	-0.65	10.864	0.1
	1	-0.65	10.864	0.1
	1	-0.65	10.864	0.1

	(2 can be in place of 1 to avoid stucture runoff)


#sc.x 10.864 x.x x.x x.x < [file name] > [file name to be directed to]
        x.x is the amount used to nudge it, on the order of a few


convert an xyz file into an html file
	#~birner/bin/x2h -m -c[number of atoms] [file name] >[output file]


convert a postscript file into an html file
	#~ntg/bin/scripts/slides2web.pl <file.ps>


caclulating energies for Epot, 
	let X be the number of atoms in supercell (e.g., 67)
	let Y be the number of EXTRA interstitials (e.g., 3)
	let Z be the number of atoms in the bulk lattice (e.g., 64)
	then E_f_int = (Epot-(X/Z)E_bulk)/3
	(Epot-(67/64)E_bulk)/3 would be the formation energy of a tri-interstitial defect
	in a 67 atom supercell calc
Epot would be someting like -299.412341 E_bulk would be something like -295.22324

view xyz file 
	#~birner/bin/minimol [file]
	or
	#~jnkim/bin/xmol (must be run from campbell)