[Wien] PORT minimization

J.H. Mokkath, FB18 mokkath at uni-kassel.de
Fri Jun 27 19:24:17 CEST 2008



Hello Wien2k users,

Could someone tell me about PORT minimization method.....

Also what is the meaning of tolf, Initail trust region and delta in the
following PORT option..

 PORT 2.0 0.35      # PORT/NEWT;  tolf, Initial Trust Radius
 0.0 0.0 0.0 1.0    #Atom  1 Generated by pairhess
 0.0 0.0 0.0 1.0    #Atom  2 Generated by pairhess

 Thanks in advance,
 MOkkath...

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