[Pw_forum] separate the surface state and surface resonance state from the bulk state
yaoyg at hotmail.com
Thu Mar 5 09:41:13 CET 2009
I am simulating the Be(0001) surface through N-layer slab construction.
But how can I decompose the calculated bands into surface states and bulk states.
>From a few publications concerning DFT calculation of surface structure,
the final bands are showed as surface projected bulk bands, distinctively pointing out
the surface states and the surface resonance states.
How can I separate the surface state and surface resonance state from the bulk state
using PWSCF package? or additional codes are required ?
Could anyone give me suggestion?
Thanks a million.
Institue of Physics,
Chinese Academy of Sciences
People's Republic of China
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