Dear siesta users;

I have a problem with geometry optymalization in
siesta-trunk-320 version. My calculation always
suddenly stops and no error or warning appears.

I did the same calculation in previous version of siesta (siesta2.0.1,
siesta-trunk-301)
and everything works fine .

I used intel fortran to compile all of this versions of siesta.

Do you have any suggestions what is the cause of it?
Many thanks in advance.

Best regards,
Magdalena

Responder a