P 15 LDA-PW loggrid 2001 3 3 0 0 0 0 3 1 3 0 0 0 c c v c v 2 1.7 1.5 1.7 1.4 y 14 n y 14 n y 2 y 12 n MODRRKJ VANDERBILTORTHO Besselshape 3 0 MTROULLIER 1.7 1.7 1.7 1.7 1.7 1.7 ABINITOUT default XMLOUT default PWSCFOUT UPFDX 0.0125d0 UPFXMIN -7.d0 UPFZMESH 15.d0 PWPAWOUT END