Projected bulk bandstructure calculation using VASP

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mpriya22m
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Projected bulk bandstructure calculation using VASP

#1 Post by mpriya22m » Thu Jan 12, 2012 7:31 am

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.
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Projected bulk bandstructure calculation using VASP

#2 Post by admin » Tue Apr 03, 2012 11:49 am

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.

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