Pd 46 GGA_X_PBE_SOL+GGA_C_PBE_SOL scalarrelativistic loggrid 2001 5 4 4 0 0 0 5 0 1 4 2 9 0 0 0 c c c v v c c v c v 2 2.5 2.3 2.5 2.5 n y 2.0 n y 4.0 n Vanderbilt Besselshape 3 0.0 ultrasoft 2.00 2.50 2.50 2.50 2.00 2.20 XMLOUT default author "F. Jollet and M.Torrent" ABINITOUT default PWSCFOUT UPFDX 0.0125d0 UPFXMIN -7.d0 UPFZMESH 46.0 END