[QE-users] QE version causing difference

[Gulshan Kumar]

Hi everyone,

I used the 'Program *PWSCF v.6.5Max'* version of Quantum
Espresso earlier. I was getting a band gap of 0.38 eV. I switched to '*program
PWSCF v.7.3.1*' but got band gap = 0.207 eV for the same pseudopotential
and input file. It's a noticeable difference. Can you please help what I
should do to understand this?

Thank you
--
Gulshan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20250305/9beb0266/attachment.html>