Al 13 GGA_X_PBE_SOL+GGA_C_PBE_SOL loggrid 2001 3 3 0 0 0 0 3 1 1 0 0 0 c v v v v 1 1.6 1.4 1.6 1.6 n n MODRRKJ VANDERBILTORTHO Besselshape 2 0 MTROULLIER 1.2 1.6 1.5 1.6 ABINITOUT default XMLOUT default PWSCFOUT UPFDX 0.0125d0 UPFXMIN -7.d0 UPFZMESH 13.0 PWPAWOUT END