How can I calculate the d band center in vasp? Please give me the clear procedure because I am new to vasp....
I have spin polarized DOS for surface calculation.....
d band center
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sharma
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d band center
Last edited by sharma on Sat Mar 05, 2011 1:36 am, edited 1 time in total.
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alex
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d band center
d-band centre is concept of Jens Norskov and co-workers. I suggest you read some articles from that time.
Last edited by alex on Sat Mar 05, 2011 9:51 am, edited 1 time in total.