[Pw_forum] separate the surface state and surface resonance state from the bulk state

yaoyugui yaoyg at hotmail.com
Thu Mar 5 09:41:13 CET 2009


Dear all,
 
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.
 
Wenmei Ming
 
Institue of Physics, 
Chinese Academy of Sciences
Beijing 100190
People's Republic of China
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