Respected P.Blaha, Thanks for guiding me, i was really not doing it in proper way. so this time i plotted PDOS in states/Ry and select range use command x lapw2 -all 0.69 0.82 -up -so -p still scf2up file is empty Bandranges (emin - emax) and occupancy: Energy to separate low and high energystates: 0.12981
:NOE : NUMBER OF ELECTRONS = 249.000 :FER : F E R M I - ENERGY = 0.8260000000 :GMA : POTENTIAL AND CHARGE CUT-OFF 12.00 Ry**.5 BUSHRA On Wednesday, July 11, 2018, 5:31:36 AM GMT+5, BUSHRA SABIR <b_sabir...@yahoo.com> wrote: 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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