[Wien] problem with YS-PBE0

[Dr. K. C. Bhamu]

Dear Wienk Users,

I attempted to do a band structure calculation of a perovskite structure
with YS-PBE0 (standard alpa parameter) with Wien2k-18.1.
Up to scf and doss, I do not see any problem.

But I am not getting optical properties and below is what I am getting in
band.agr file:


My log file is:

Thu Aug 16 17:15:58 IST 2018> (x_lapw) lapw1 -p
Thu Aug 16 17:16:24 IST 2018> (x_lapw) lapw2 -qtl -p -hf
Thu Aug 16 17:16:29 IST 2018> (x_lapw) tetra -p -hf
Thu Aug 16 17:16:40 IST 2018> (x_lapw) lapw1 -p
Thu Aug 16 17:17:08 IST 2018> (x_lapw) lapw2 -fermi -p -hf
Thu Aug 16 17:17:11 IST 2018> (x_lapw) optic -p -hf
Thu Aug 16 17:17:20 IST 2018> (x_lapw) joint -p -hf
Thu Aug 16 17:17:31 IST 2018> (x_lapw) kram -p
Thu Aug 16 17:17:46 IST 2018> (x_lapw) lapw1 -band -p
Thu Aug 16 17:29:48 IST 2018> (x_lapw) lapw2 -band -qtl -p -hf
Thu Aug 16 17:29:52 IST 2018> (x_lapw) spaghetti -p -hf

I did not increase the k-points for bands and optical properties and
continued with 3x3x3 mesh (total 4 points).

@ xaxis  tick major   0, 0.00000
 @ xaxis  ticklabel            0 ,"         1  "
@ xaxis  tick major   1, 0.15766
 @ xaxis  ticklabel            1 ,"         2  "
@ xaxis  tick major   2, 0.31533
 @ xaxis  ticklabel            2 ,"         3  "
@ xaxis  tick major   3, 0.47299
 @ xaxis  ticklabel            3 ,"         4  "
@ with g0
@ world 0,    -21.00000,     0.47299,    12.00000
 @ autoticks
 @ yaxis  label "Energy(eV)"
 @ with line
 @ line on
 @ line loctype world
@ line  0.00000, 0.00000, 0.47299, 0.00000
 @ line linestyle 3
 @ line def
 @ with string
 @ string on
 @ string loctype world
@ string  0.49299, -0.1
 @ string char size 1.500000
 @ string def "E\sF"
 @ title "CSI_ysfc    "
 #    k       ene     character
 @ autoscale onread none
 @ target g0.s1
 @ type xysize

 # bandindex:   1
   0.00000 -69.93183   0.07000
   0.15766 -69.93147   0.07000
   0.31533 -69.93165   0.07000
   0.47299 -69.93150   0.07000
&
 @ autoscale onread none
 @ target g0.s2
 @ type xysize

 # bandindex:   2
   0.00000 -69.93183   0.07000
   0.15766 -69.93147   0.07000
   0.31533 -69.93151   0.07000
   0.47299 -69.93149   0.07000

regards
Bhamu
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