[QE-users] ELF calculation using USPP in QE 7.1 - reg

Nithish Sriram MKU-SCHOLAR fos10293 at mkuniversity.org
Sun Aug 18 05:40:07 CEST 2024


Dear users

I am running ELF in QE. I came across several posts saying ELF in QE is not
fully implemented. I ran calculations and got results for a system. I am
attaching the plot with this mail. Can someone check whether it is
reasonable to use this for publication?
I think no. What should I do in this case?

Can someone help me calculate the ELF using quantum espresso..

Thank you

K. Nithish Sriram
Madurai Kamaraj University
Madurai
India
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