[Wien] Regarding no bands in bandstructures

[sikander Azam]

Resp. Peter Blaha
yes sir, all these run with out XXX Stop and a "timing" line.
Regards
Sikander

On Fri, Jul 22, 2016 at 12:33 AM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
wrote:

> 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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>>
> --
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> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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