Iron Allotropes - Functional Comparison 
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:Authors: Christopher Lane
:Date: 06/28/2022

Overview 
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In this session we will study the equation of state for FCC and BCC Iron using two different density functionals.
 
Goals 
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The basic goals are the following:
  1. Understand the importance in choosing a density functional.
  2. Determine an appropriate wavefunciton energy cutoff energy.
  2. Run a Quantum ESPRESSO calculation on a bulk material with magnetic ordering.

Instructions 
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  1. Go to each directory in the numeric order they appear and follow the instructions
     in the README.
