[Wien] About testing the FSM procedure to fix the convergence problem

Algerian Researcher jazairdz at gmail.com
Wed Sep 29 19:37:27 CEST 2021


Thanks Pr Laurence for your answer

I have found in a previous post that when we get a convergence problem
because of the bad first estate electronic total density applied we can
estimate the total magnetic moment and apply the FSM to get a good estimate
electronic density to fix the problem and get a good convergence.

Is it true or not ?

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