C 6 LDA-PW loggrid 2001 2 2 0 0 0 0 2 1 2 0 0 0 c v v 1 1.3 1.1 1.3 1.0 y 16 n y 12 n MODRRKJ VANDERBILTORTHO BESSELSHAPE 2 0 MTROULLIER 1.3 1.3 1.3 1.3 ABINITOUT default XMLOUT default PWSCFOUT UPFDX 0.0125d0 UPFXMIN -7.d0 UPFZMESH 6.d0 PWPAWOUT END