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Tue Feb 17 11:48:01 CET 2009
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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<DIV>Dear all,</DIV>
<DIV> </DIV>
<DIV>I am simulating the Be(0001) surface through N-layer slab construction. </DIV>
<DIV>But how can I decompose the calculated bands into surface states and bulk states. </DIV>
<DIV>From a few publications concerning DFT calculation of surface structure, </DIV>
<DIV>the final bands are showed as surface projected bulk bands, distinctively pointing out</DIV>
<DIV>the surface states and the surface resonance states. </DIV>
<DIV> </DIV>
<DIV>How can I separate the surface state and surface resonance state from the bulk state </DIV>
<DIV>using PWSCF package? or additional codes are required ? </DIV>
<DIV> </DIV>
<DIV>Could anyone give me suggestion? </DIV>
<DIV>Thanks a million.</DIV>
<DIV> </DIV>
<DIV>Wenmei Ming</DIV>
<DIV> </DIV>
<DIV>Institue of Physics, </DIV>
<DIV>Chinese Academy of Sciences</DIV>
<DIV>Beijing 100190</DIV>
<DIV>People's Republic of China</DIV><br /><hr />ʹÓÃÐÂÒ»´ú Windows Live Messenger ÇáËɽ»Á÷ºÍ¹²Ïí£¡ <a href='http://im.live.cn/messenger.aspx' target='_new'>Á¢¿ÌÏÂÔØ£¡</a></body>
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