Reapected P.Blaha, Gavin abo and wien2k users, i am interested to plot spin/total density at different point across valance and conduction bands.as suggested by Blaha, i need to plot PDOS and select the corresponding energy window to see spin/total density, I ploted PDOS in eV and selected the region -1.5eV to 0.2eV and now using this energy window in electron density in Rydbergx lapw2 -all -0.11 0.14 -up -so -p
but it is taking more than 1 hr and 1p.scf2up file is emptywhat should i do? scf2up file: Bandranges (emin - emax) and occupancy: Energy to separate low and high energystates: -0.39074 :NOE : NUMBER OF ELECTRONS = 249.000 :FER : F E R M I - ENERGY = 0.1400000000 :GMA : POTENTIAL AND CHARGE CUT-OFF 12.00 Ry**.5 Bushra Sabir
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