Mg 12 LDA-PW loggrid 2001 3 3 0 0 0 0 3 1 0 0 0 0 c v v v v 1 1.7 1.5 1.7 1.7 n n MODRRKJ VanderbiltORTHO Besselshape 2 0 MTROULLIER 1.7 1.7 1.5 1.7 ABINITOUT default XMLOUT default PWSCFOUT UPFDX 0.0125d0 UPFXMIN -7.d0 UPFZMESH 12.0 PWPAWOUT END