[Wien] (no subject)

[Gavin Abo]

Consider trying and using WIEN2k 19.1, because on the WIEN2k updates 
page [1] you can see several improvements and fixes have been made to 
the spin orbit code since WIEN2k 17.1.

For example, intel-18.0.1 is a recent ifort compiler.  For SRC_lapwso 
under VERSION_18.1: 1.6.2018, you should see:

get_nloat.f (*fix for read-bug* of unformatted files with recent ifort)

[1] http://susi.theochem.tuwien.ac.at/reg_user/updates/

On 7/22/2019 7:23 AM, Aamir Shafique wrote:
>
> Hello,
> I have installed Wien2k 17.1 with compiler intel-18.0.1.
> - Normal SCF cycles completed successfully using SCAN meta-GGA or 
> PBE-GGA.
> - SOC was initiated from the command line using initso_lapw
> but I got the following error message:
> lapwso lapwso.def   failed
>
> >   stop error
>
> *With Best Regards, *
>
> *Aamir Shafique
> *
>
> *-----------------------------------------------------------------*
> *Postdoctoral fellow*
>
> *Physical Sciences and Engineering*
>
> *+****King Abdullah University of Science and Technology *
>
> Thuwal 23955, Saudia Arabia.
>
> (*Direct*- +966  54  5351602
>
> **Email* – aamir.shafique at kaust.edu.sa <mailto:ukkayani at hec.gov.pk>
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