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
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mpriya22m
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Projected bulk bandstructure calculation using VASP
Last edited by mpriya22m on Thu Jan 12, 2012 7:31 am, edited 1 time in total.
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admin
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Projected bulk bandstructure calculation using VASP
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)
Last edited by admin on Tue Apr 03, 2012 11:49 am, edited 1 time in total.