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

Luc Fruchter luc.fruchter at u-psud.fr
Tue Jul 23 18:57:27 CEST 2019


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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