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I was facing convergence problems in my 2D system, but after I have used the ALGO = All tag the convergence problems have gone. I would like to know how accurate is this option comparing to ALGO = Normal and ALGO = Fast options.

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ALGO only refers to the method used to reach convergence, as a result there is no difference in accuracy. ALGO = Normal / Fast tends to be faster than ALGO = All, however this can be system / level of theory dependent.

It should be noted, this isn't strictly true since you can optimize to a different ground state minimum. This can result in a different magnetic structure in some cases, but I have never seen this problem in practice.

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