Hey,
My goal is to calculate a surface bandstructure of certain PtSi surfaces.
Where (output file, data arangement) can I find states localized at the surface (surface states)? EIGENVAL??
Thx a lot in advance to everyone who can help me.
Hendrik
surface states
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bentmann
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surface states
Last edited by bentmann on Thu Jan 25, 2007 8:39 pm, edited 1 time in total.
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admin
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surface states
at best have a check of the character of the states in thePROCAR file, which also gives information about the character of the state, by listing the partial charges of each state). PROCAR/PROOUT are written if LORBIT=11 is set
Last edited by admin on Mon Jan 29, 2007 2:17 pm, edited 1 time in total.