Dear All,
Are there any python program for calculating the d-band center and width using
PDOS data of quantum espresso?
If yes, Would you please share the link of it?
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: [email protected]
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