[Wien] run_lapw

[Peter Blaha]

Only 23.

Am 01.02.2023 um 12:09 schrieb Laurence Marks:
> Which version(s) of Wien2k does this effect?
> 
> --
> Professor Laurence Marks
> Department of Materials Science and Engineering, Northwestern University
> www.numis.northwestern.edu <http://www.numis.northwestern.edu>
> "Research is to see what everybody else has seen, and to think what 
> nobody else has thought" Albert Szent-Györgyi
> 
> On Wed, Feb 1, 2023, 02:31 Peter Blaha <peter.blaha at tuwien.ac.at 
> <mailto:peter.blaha at tuwien.ac.at>> wrote:
> 
>     Dear wien2k users,
> 
>     There is a small bug in  run_lapw for cases without inversion symmetry.
>     Most likely not critical except when the default case.in1c file would
>     produce a QTL-B error, which would not be fixed automatically.
> 
>     A new version is attached and the web-version has been corrected
>     (release 1.2.23)
> 
>     Regards
>     -- 
>     --------------------------------------------------------------------------
>     Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>     Phone: +43-1-58801-165300
>     Email: peter.blaha at tuwien.ac.at <mailto:peter.blaha at tuwien.ac.at>   
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-- 
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at
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