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I am trying to do a calculation with B3LYP using VASP 5.2.12 and found on this forum controversial information whether besides putting GGA = B3 in INCAR one also has to change LEXCH in POTCAR from PE to B3. Depending on whether one makes this change or not the absolute energies and stress tensor are different.

I would be grateful if someone could clarify this.

Thanks in advance

Roman

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