Implementation of non-collinear spin-constrained DFT

Asked by Yun-Peng Wang on 2020-03-07

Dear SIESTA developers,

Recently I am aware of a paper "Implementation of non-collinear spin-constrained DFT calculations in SIESTA with a fully relativistic Hamiltonian" on 2018 J. Phys. Mater. 1 015010. I am wondering if the current version of SIESTA contain the spin-constraint feature? Or where I can find the code if I want to use this extension?

Best wishes,
Yun-Peng Wang

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Last query:
2020-03-07
Last reply:
2020-03-12

Dear Yung-Peng Wang,

    Non-collinear spin-constrained DFT version is not still available. As soon as we include it within the SIESTA package we will let you know it, hopefully in the following months.

Regards,
Ramón Cuadrado

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