Lu 71 GGA-PBE loggrid 700 scalarrelativistic logderivrange -8 8 500 6 5 5 4 0 5 2 1 0 0 0 c c c c v v c c c v c c v v 3 2.25 1.9 2.25 2.25 n y 2.0 n y 2.0 n y 2.0 n VANDERBILT BESSELSHAPE 4 0.0 2.21 2.21 2.21 2.21 2.21 2.12 2.21 2.21 ABINITOUT default PWSCFOUT UPFDX 0.0125d0 UPFXMIN -7.d0 UPFZMESH 71.0 END 0