[Wien] Error in LAPW2

Laurence Marks laurence.marks at gmail.com
Sat Mar 27 07:33:10 CET 2021


As the message says, did you check lapw2.error? You should also check other
errors (cat *.error). Find the program that crashed and look at its output,
particularly the end, and the ones before it.

It is hard to know the exact reason based upon what you report.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Györgyi
www.numis.northwestern.edu

On Sat, Mar 27, 2021, 00:05 Peeyush Kumar Kamlesh <
peeyush.physik.rku at gmail.com> wrote:

> Dear Sir/Ma'am,
> Greetings!
> After running 139 complete scf cycles of PBE+mBJ (Jishi et al., JPCA 118,
> 28344 (2014)), in 140th cycle it is showing following error:
>
> sed: can't read s/\/$//: No such file or directory
> LAPW2 - Error. Check file lapw2.error
> cp: cannot stat '.in.tmp': No such file or directory
>
> However force and charge have already been converged. Energy is not yet.
> Please tell me the solution.
>
> Regards
> Peeyush Kumar Kamlesh
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