[Wien] Regarding no bands in bandstructures

[Peter Blaha]

First: Did all these steps run without an error. It should just say
XXX Stop and a "timing" line.

Am 17.07.2016 um 11:40 schrieb sikander Azam:
> Dear All
> I did the calculations for a compound by using GGA+U. The calculations
> are well converged. But when i started calculating the properties, I
> found the band structure empty for both up and down states.
> For the band structure I give the following commands
> x lapw1 -orb -up
> x lapw1 -orb -dn
> x lapw2 -fermi -orb -up
> x lapw2 -fermi -orb -dn

These 4 steps above are absolutely unnecessary (but do not harm).

> x lapw1 -band orb -up
> x lapw1 -band -orb -dn

Did you create a case.klist_band file ? (Otherwise you should get an error)

> then did changes in insp file
> and give this command
> x spaghetti -orb -up
> x spaghetti -orb -dn

the "-orb" is not necessary (do    x spaghetti -h to see all possible 
options), but again it should not harm.

no error ???
ls -alsrt  :   which files were generated by the last step ??? are they 
non-empty, can you look at case.spaghetti_ene and case.spaghetti_ps files ??

> but when i did the plotting I found no bands in bandstructure
> Regards
> Azam
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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