[Wien] Wien2k18.2_Exercises not repeatable

[Ashwani Kumar]

Hi,
i am working with wien2k exercises (downloaded from wien2k websites) before
i proceed with my problem of interest (SrTiO3) to be comfirtable with flags
and options available in the code. I have observed the wien2k18.2 results
are not exactly same as mentioned in wien exercise ppt.
Recently i was practising to find out EFG of Indium ("EFG switch" document
from WIEN2K website, by Dr. Cottenier). When analysed case.scf for EFG, it
was found to be double of that reported in the document. Some values in
case.scf file are also different from the values mentioned in document.
Observed same problem earlier for TiN example (from wien exercises),  i was
not getting the same Ti-d plot / difference density plot despite having
same DOS (same as mentioned in exercise ppt ).

There is constant warning appearing in every calculation " singalling error
: IEEE ......"

I will try to repeat some of the examples at wien2k17 version but please
help me to understand what could have gone wrong in the calculation.

thanks and regards.
A. Kumar

On Tue, Oct 30, 2018 at 12:09 AM Ashwani Kumar <ashwani.ism at gmail.com>
wrote:

> Hi,
> I was working with Wien2k exercise of TiN. I already mentioned in previous
> thread that there are some changes which was observed in analysis of the
> SCF files (Please see the attached file :exercise TiN, comparison with the
> wien exercise ppt). But when DOS are plotted , they seemed tto be exactly
> same (attached file : TiN exer2, TiN exer3). Is this seems to be ok .
> I tried to re-produce Ti-d band countour plot as shown in wien exercise
> ppt but could not produce it. May be i am not getting the right answer.
> Your help will be highly appreciated.
>
> thanks ,
> Ashwani kumar
>
>
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