[gpaw-users] Optimization with no density from old step

[Lopez Acevedo Olga]

Hi all,

Quick question: is there an available optimizer that would allow me to run a geometry optimization where in every step of the optimization trajectory it calculates the new density "from scratch" (meaning from LCAO orbitals in the caso of GPAW) and not reuses the previous ground state density?

Best,

Olga

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