[QE-users] d-band center for ORR calculation

[Adimi Samira]

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: samira at nimte.ac.cn
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