how to set vacuum in a slab
Posted: Thu Mar 31, 2011 4:36 pm
I want to define a slab with vacuum only in the z direction.
I need only define the width of my cell with the z direction longer than the width of the bulk or I need to define the abinit 'vacwidth' parameter ?
I need only define the width of my cell with the z direction longer than the width of the bulk or I need to define the abinit 'vacwidth' parameter ?