Does LORBIT tag affect final energy(E0) when optimizing structure?

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Yujie Liu

I don't think so. It only affects your format of DOSCAR and PROCAR which are evolved in the non-scf step.

Yue-Wen Fang

In the case with LORBIT set to true, you'll add an additional term to the total Hamiltonian. This term couples the spin and lattice (angular momentum operator), and causes the energy differences you've observed.