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

[Lyudmila Dobysheva]

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

Best wishes

Lyudmila Dobysheva
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