[Wien] What are the specific reasons for 'LAPW2 crashed' or 'LAPWSO crashed'?

Laurence Marks L-marks at northwestern.edu
Thu Oct 12 16:28:04 CEST 2017


The reason why lapw2 does not give the specific reason is....that this
is not always written in to the code! Unfortunately there can be many
reasons, and not everything has been trapped so user friendly output
is provided. (Sometimes it can in fact be impossible to code into
lapw2 the exact reason for a number of reasons.)

On Thu, Oct 12, 2017 at 8:31 AM, Peng Bingrui <pengbingrui26 at outlook.com> wrote:
> Dear wien2k community
>
> As a wien2k user, I always encounter problems like these, and I'm wondering
> what are specific reasons resulting in such 'crash'.
>
> I try to find the specific reasons, but in case.dayfile, it just reports
> 'LAPWxx crashed' and 'stop error', instead of telling the specific reasons.
>
> Thank you for your atrention.
>
> Yours,
> Bingrui Peng
> from the Department of Physics, Nanjing University
> China



-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what
nobody else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A


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