I am interested in investigating bulk magnetism computationally. What are the packages available for it? Any help in this direction will be appreciated.

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  • $\begingroup$ Comments have been moved to this chat room. $\endgroup$ Jan 12 at 6:14
  • $\begingroup$ I can have a few answers to this. In the author's mind, what is the distinction between "bulk magnetism" and spin-polarized DFT? Asking because I can simulate a couple of atoms into most DFT packages and they will reproduce reasonable magnetic properties. $\endgroup$ Jan 12 at 11:54
  • $\begingroup$ Can you narrow your question down at all? Are you looking for ab initio methods? Quantum spin models? Exact diagonalization? QMC? All of the above? $\endgroup$ Jan 12 at 16:37
  • $\begingroup$ @taciteloquence, I am aware of ab initio. Other methods ? $\endgroup$ Jan 13 at 3:48
  • $\begingroup$ @AndreyPoletayev could you please share something about spin polarised DFT ? $\endgroup$ Jan 13 at 3:49


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