Quantum ESPRESSO Tutorial - SPIN POLARISED (MAGNETIC MOMENT) CALCULATION using BURAI

Описание к видео Quantum ESPRESSO Tutorial - SPIN POLARISED (MAGNETIC MOMENT) CALCULATION using BURAI

A detailed quantum espresso tutorial walking you through the process of performing spin-polarized calculations for magnetic systems and thus get the value of the magnetic moment per atom.
In the tutorial I use an Fe system as example, and accurately predict it's magnetic moment/atom.

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