[Wien] Error in LAPW2

[pboulet]

Is it correct to have a ‘.in.tmp’ file name? Should not this be ‘case.in <http://case.in/>.tmp’? If so, the ‘case’ variable is ill-defined.
So sed is probably not acting on the proper file.

Best,
Pascal


Pascal Boulet
—
Professor in computational materials chemistry - DEPARTMENT OF CHEMISTRY
University of Aix-Marseille - Avenue Escadrille Normandie Niemen - F-13013 Marseille - FRANCE
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Email : pascal.boulet at univ-amu.fr <mailto:pascal.boulet at univ-amu.fr>










> Le 27 mars 2021 à 06:06, Peeyush Kumar Kamlesh <peeyush.physik.rku at gmail.com> a écrit :
> 
> 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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