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Projected bulk bandstructure calculation using VASP

Posted: Thu Jan 12, 2012 7:31 am
by mpriya22m
hi all,
I would like to do projected bulk bandstructure calculation using VASP,inoder to find out the surface states.Could any one please advice me ,the procedure and parameters are required for the calculation.

Projected bulk bandstructure calculation using VASP

Posted: Tue Apr 03, 2012 11:49 am
by admin
the easiest way to obtain projected band structures is to do it via p4vasp, and to define the 'surface bands' by requesting a certain amount of partial charge (to be chosen arbitrarily) to be localized in the atoms of the slab surface layer(s)