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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