[Wien] case.inM file missing for mini in 19.1

[Laurence Marks]

Case.inm is always present -- without it you could never run any scf
iteration.

Case.inM is automatically created whenever running run*** -min or min_lapw.
(In general run*** -min is faster.)

"x pairhess" creates case.inM.

_____
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

On Tue, Jul 23, 2019, 17:57 Luc Fruchter <luc.fruchter at u-psud.fr> wrote:

> With Wien2k 19.1 version, latest Intel ifort compiler (2019.4) and
> latest Ubuntu (18.04.2):
>
> with an old case from 18.2 version, I initialized again the case (using
> w2web) and, using mini.position from the w2web interface, tried to
> vizualize the case.inm file from the w2web link. This provided the
> case.inm used for mixer (which I never met before using 18.2 version),
> while the case.inM for mini was an empty file.
>
> I tried with other simple cases (for which I could quickly converge a
> scf with the 19.1 version): this time mini procedure provided the empty
> case.inM file.
>
> Finally - I do not know how - I managed to edit the regular case.inM for
> mini for the first case, and it seems to run nicely since then.
>
> I am sorry this sounds confused, but there seems to be a curious
> situation with these .inm / .inM files, which I never encountered with
> previous versions.
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