You can do a convergence study with energy same as estimating K points grid
Get Outlook for iOS<https://aka.ms/o0ukef> ________________________________ From: users <users-boun...@lists.quantum-espresso.org> on behalf of John McFarland <jm1...@my.fsu.edu> Sent: Wednesday, August 19, 2020 8:54:18 PM To: users@lists.quantum-espresso.org <users@lists.quantum-espresso.org> Subject: [QE-users] How to determine degauss Hi, is there a recommended degauss? or procedure for determining a good estimate?
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
