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Hi,

From previous threads in this forum (from many years ago) it seems that it was possible to model annealing. I was wondering if it is still the case. Also, how exactly would I go about it? From my understanding, correct me if I'm wrong, you would have to relax your structure, heat the structure in AIMD mode, cool it again in AIMD mode and finally relax the structure again (not in AIMD mode). From what I've gathered, you would be able to run a heating step using the TEBEG, TEEND and SMASS INCAR tags. Could you provide a clearer explanation as to what tags would have to be used throughout this process or refer me to a tutorial of some sort? Thank you for your help.

Best,

ML