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Dear All,
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<br>
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Are there any python program for calculating the d-band center and width using PDOS data of quantum espresso?<br>
If yes, Would you please share the link of it?
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<br>
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Thanks in advance,
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samira
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<span>--<br>
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<i style="font-family:;" color:=""><span style="font-size:12px;">Samira Adimi<br>
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<i style="font-family:;" color:=""><span style="font-size:12px;">Postdoctoral research fellow,</span></i>
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<div style="font-family:;" font-size:16px="">
<span style="font-size:12px;font-family:;" color:=""><i>Ningbo Institute of Materials Technology & Engineering, Chinese Academy of Sciences,</i></span>
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<div style="font-family:;" font-size:16px="">
<span style="font-size:12px;font-family:;" color:=""><i>Ningbo, China </i></span>
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<div style="font-family:;" font-size:16px="">
<span style="font-size:12px;font-family:;" color:=""><i>Telephone: +86 13252263102</i></span>
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<i style="font-family:"font-size:x-small;"><span style="font-size:12px;">email: </span><a href="mailto:samira@nimte.ac.cn"><span style="font-size:12px;">samira@nimte.ac.cn</span></a></i>
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