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calcbulk

Calculates bulk modulus.
Syntax: calcbulk mins maxs ds runcommand
where mins and maxs are the minimum and maximum strains (e.g. 0.00 0.01)
ds is the step size (e.g. 0.005)
runcommand is the command to run the ab initio code (e.g. runstruct_vasp)


avdw@alum.mit.edu Fri Aug 27 21:35:05 CDT 2010