[Wien] optimization internal positions
ben amara imen
imen.benamara5 at gmail.com
Fri May 16 16:25:51 CEST 2014
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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