Hello,
I am using a hp.x code to calculate U correction in Mn-based material.
I found if using different U_projection_type, the resulting "U" is different:
U_projection_type = 'ortho-atomic' ; U = 4.53 eV
U_projection_type = 'atomic', U = 3.06 eV
Is it expected behavior?
Thanks,
Sergey
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
