[QE-users] How to determine degauss

Nitol, Mash mn895 at msstate.edu
Thu Aug 20 03:56:38 CEST 2020


You can do a convergence study with energy same as estimating K points grid

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From: users <users-bounces at lists.quantum-espresso.org> on behalf of John McFarland <jm18ec at my.fsu.edu>
Sent: Wednesday, August 19, 2020 8:54:18 PM
To: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: [QE-users] How to determine degauss

Hi, is there a recommended degauss? or procedure for determining a good estimate?
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