Dear Jibiao,
I'm not sure if I understand your question. Quantum ESPRESSO can and
does compute wavefunctions and Kohn-Sham energy bands at given k-points.
It is actually the main thing it does.
kind regards
On 28/08/2022 12:13, Jibiao Li wrote:
Dear All,
In condensed matter physics, projecting electronic states of targeted
atoms into the momentum space is definitely an important tool to study
electronic structures of materials. I am writing this short email to
get answer whether QE has the functionality to do like this.
May I project either all or selected electronic states of selected
atoms into the k-space in QE?
Regards
Jibiao Li
Department of Materials Science and Engineering
Yangtze Normal University
Juxian Avenue 16, Fuling, Chongqing, China 408100
------------------------------------------------------------------------
Jibiao Li
Department of Materials Science and Engineering
Yangtze Normal University
Juxian Avenue 16, Fuling, Chongqing, China 408100
Scopus Research ID: 54944118000
<https://www.scopus.com/authid/detail.uri?authorId=54944118000>
Web of Science Research ID: F-1905-2016
<https://publons.com/researcher/2283103/jibiao-li/>
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