Slab calculations
Posted: Tue Aug 14, 2007 5:24 am
I am trying to do slab calulations using 3 3 1 KPOINTS with PREC=MED which is taking longer time than we can afford.
Is it OK if i run 1 1 1 KPOINT calculation and then use the relaxed geometry for redoing the calculation using 3 3 1 KPOINTS.
Any suggestions or ways of handling this thing will be highly appreciated
thanx in advance
Is it OK if i run 1 1 1 KPOINT calculation and then use the relaxed geometry for redoing the calculation using 3 3 1 KPOINTS.
Any suggestions or ways of handling this thing will be highly appreciated
thanx in advance