Spin-Polarized GLLB-SC potential and efficient real time LCAO ...

ComparisonPROS• Avoid OEP equations, when E xc is orbitaldependent ! huge speed up.• Still good properties of orbital dependentfunctionals• Finite xc ! good band gaps• 1/r asymptotic behaviour ! good{✏ i }• Almost “Accuracy of GW with speed of GGA”! can be used to screen promisingmaterials for further study (see et. al.)CONS• Lose total energy! No geometry orenergetics• Depending on v xc maylose size consistency.• Relatively rare (at themoment) ! PBE is wellstudied in 10000s ofpublications, less in knownabout model potential