GSFE-ICME
From EVOCD
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Contents |
Overview
- The stacking fault energy for unstable dislocations is the energy associated with an interruption in the stacking sequence in a crystal structure.
Preparation
Walk-Through
- Visit this detailed walk-through for determining the generalized stacking fault energy (GSFE) in FCC Aluminum.
Gather Inputs
- From the previous part of the homework, collect the VASP inputs (KPOINTS, POTCAR, INCAR) as well as the VASP executable.
- From the walk-through gather the python and BASH script files.
- Save all of these files to a new directory.
Running the Calculations
- Perform a K-Point convergence as before to get the optimum K-Point mesh.
- Execute the GSFE calculation
Output
- Plot the GSFE vs. displacement curve
