[Wien] ERROR " x lapw2 -fermi -p " for optical properties

[Lyudmila Dobysheva]

The system is rather large, maybe too small number of k-points was taken 
as prof Blaha wrote?

Best wishes
Lyudmila Dobysheva
------------------

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10.05.2026 00:36, عبدالرزاق خيرالدين wrote:
> I apologize for the delay.
>
>
> في الأربعاء، 6 ماي 2026، 09:31 Lyudmila Dobysheva <lyuka17 at gmail.com> كتب:
>
>     06.05.2026 00:58, عبدالرزاق خيرالدين wrote:
>     > Unfortunately, the proposed solution did not resolve the issue.
>     After
>     > switching to TETRA for the step   x lapw2 -fermi -p   I still
>     obtain
>     > the warning that the Fermi energy is not accurate. In addition, the
>     > optics results continue to produce NaN values. For your
>     information, I
>     > am working on WO₃ doped with Al (6.25%), and this is the
>     case.cif I am
>     > using for the calculation
>
>     You better send the struct file and all the *.in files
>
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