Dear VASP masters:
Is VASP able to compute the adiabatic (the diagonal Born-Oppenheimer) corrections of molecules? I am not sure how much error the adiabatic corrections will create in the total potential energy. Are the adiabatic corrections negligible?
Thank you
Is adiabatic corrections included in VASP?
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zlch5
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Is adiabatic corrections included in VASP?
Last edited by zlch5 on Mon Feb 11, 2008 9:33 pm, edited 1 time in total.