[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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