Is there any method/theoretical approach to calculate the stacking fault energy of complex alloys such as high entropy alloys?
The theoretical/ approximate value of SFE is needed for alloy design.
If you know the pair potentials, stacking fault energy can be estimated from molecular dynamics simulations.
Another possibility is to use density functional theory (DFT) calculations to obtain the gamma-surfarce, as done e.g. here:
Article Mechanical Response of Low Stacking Fault Energy Co-Ni Alloy...
Commonly used DFT packages are VASP or Wien2K. However, their use and the calculation of gamma surfaces require some practice.
If you need a quick estimate you might find empirical formulas in the literature that allow you to inter/extra-polate to your composition.
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