[Wien] empty scf2up file -ELECTRON DENSITY

[BUSHRA SABIR]

I am using wien2k 17.1
when i try x lapw2 -emin -1.0 -up -so -p it works and scf2up file is not empty
Bushra


 

    On Thursday, July 12, 2018, 5:23:37 AM GMT+5, BUSHRA SABIR <b_sabir437 at yahoo.com> wrote:  
 
 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_sabir437 at 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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