Re: [QE-users] degauss and smearing

2019-10-02 Thread Nicola Marzari
On 02/10/2019 09:19, Pooja Vyas wrote: What does smearing and degauss actually mean? between what values shall I choose degauss value for Aluminium? Can I know a range of values? Dear Pooja, you can also read a tutorial on smearing here: http://theossrv1.epfl.ch/Main/ElectronicTemperature

[QE-users] degauss and smearing

2019-10-02 Thread Pooja Vyas
What does smearing and degauss actually mean? between what values shall I choose degauss value for Aluminium? Can I know a range of values? ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list