Gulshan Kumar

2 Questions 4 Answers 0 Followers

Questions related from Gulshan Kumar

Quantum espresso version change can cause this much difference?

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...

05 March 2025 3,952 2 View

Why Quantum essprsso giving me a ignored warning for md calculations?

Program PWSCF v.6.7MaX starts on 24Dec2023 at 17:42:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P....

24 December 2023 8,312 4 View