[Wien] optimization/minimization

[Peter Blaha]

Everything what was explained to this topic was very well done. 

Just one short reminder: it is now possible to set several
convergence criteria at once, i.e.   min -j "run_lapw -I -fc 1 -ec 0.0001 "

> 2.  Run to energy convergence with TOT set in case.in2[c], set FOR,
>     then run one more iteration.  One way of doing this is to set
>     your job in minimization to "runsp -I -ec x ; runsp -fc y".


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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