[Wien] Band structure

[georg at chem.au.dk]

I haven't looked at the attached files,

> Commandline: x lapw2 -band -qtl -up 
> Program input is: "" 
> PGFIO-F-252/list-directed read/unit=29/operation attempted after end of
> file.
>  File name = FeAl_2.86.energydn    formatted, sequential access record = 849
>  In source file fermi.f, at line number 66
> 0.147u 0.001s 0:00.14 100.0%    0+0k 0+0io 0pf+0w
but this problem could be because you haven't done "x lapw1 -dn" with the new
k-mesh. Even if you don't want the dn band-structure you need to run lapw1 for
the fermi-level

> 
> 
> Second, for a primitive unit cell of FeAl the plotting (without band
> character plotting) was fine, but for a supercell
> the plotting failed (the file is attached). 
> 
> Please advice how I can fix these problems.
> Angelica.
> 


-- 
Georg Madsen
Department of Chemistry
Aarhus University
DK-8000 Århus C
Denmark
tlf (+45) 89423885