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Hello,

Is the occupation matrix control scheme [1], intended to improve convergence under multiple local minima, already implemented in VASP 5.2 or 5.3? And if so, how to select it in the calculations?

Thank you.

[1] B. Dorado et al., Phys. Rev. B 79, 235125 (2009)

Hi

Unfortunately it is not implemented and I'm not sure it will ever be.

Contact me if you're interested in using it with vasp 5.2: boris . dorado [at] cea . fr

Cheers