[QE-users] d-band center and width
Adimi Samira
samira at nimte.ac.cn
Tue Jul 2 04:12:09 CEST 2019
Dear All,
I am trying to find the d-band center of metal oxide for comparing with Pt. I know that more negative d-band center would be desire. I don't know how should I calculate it. Would you please help me.
Thanks in advance,
samira
--
Samira Adimi
Postdoctoral research fellow,
Ningbo Institute of Materials Technology & Engineering, Chinese Academy of Sciences,
Ningbo, China
Telephone: +86 13252263102
email: samira at nimte.ac.cn
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