La 57 GGA-PBE loggrid 2001 6 5 5 4 0 0 5 2 1 4 3 0 0 0 0 c 1s c 2s c 3s c 4s v 5s v 6s c 2p c 3p c 4p v 5p c 3d c 4d v 5d v 4f 3 3.0 n y 2 n y 4 n n VANDERBILT 4 0 3.0 3.0 3.0 3.0 3.0 3.0 1.5 0