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

[Peter Blaha]

It cannot determine the Fermi energy using TETRA with high enough accuracy.
Probably because of your k-mesh (2D system ?).

I recommend to use  TEMPS 0.002  instead of TETRA.

Am 26.04.2026 um 10:57 schrieb عبدالرزاق خيرالدين:
> Hi, when I run the command x lapw2 -fermi -p, I receive the following 
> message:
> 
> "Commandline: x lapw2 -fermi -p
> Program input is: ""
> running LAPW2 in parallel mode
> WARNING: EF not accurate, new emin,emax,NE-min,NE-max 0.370207563852490
> 0.370207566875662 358.499999857631 358.500000240554
> LAPW2 - FERMI; weights written
> FERMI only
> 2.218u 0.190s 0:02.92 82.1% 0+0k 208+171024io 3pf+0w"
> 
> Could you please help me understand the cause of this problem and how to 
> resolve it?
> Thank you in advance for your assistance.
> Best regards.
> 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
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