In general, follow the extensive description in the user guide.
You have a warning of overlapping spheres - why did you INCREASE the
RMT's??? Check your structure, look into output nn if the distances are
ok and reduce the RMT's by proabably a few per cent.
Good look
---
Dr. Martin Pieper
Karl-Franzens University
Institute of Physics
Universitätsplatz 5
A-8010 Graz
Austria
Tel.: +43-(0)316-380-8564
Am 16.05.2014 16:25, schrieb ben amara imen:
Hello,
In order to optimize the internal position u, I have do these steps
just after the Initialization :
1) I have chosen 6 for change structures and 20 for iterations
2) job file : min_lapw
3) prepare commande
4) start it
Then, during the iterations I have this warning : overlapping spheres.
I have increased the Rmt value. But after some iterations I have
this error : STOP IN MINI, SMALL FORCE what means.??
what I can do to overcome this probleme and my steps are
corrects???
Can someone help me Please and thanks in advance
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