[Pw_forum] from linmin : error

Katalin Gaal-Nagy katalin.gaal-nagy at physik.uni-regensburg.de
Fri Jun 27 10:45:59 CEST 2003


Dear Paolo!

Thanks for your answer. I didn't link the linmin-error to a problem of (not) 
convergence of my structural optimization. Since I decreased all thresholds 
consistently I thought I avoided an inconsistency between the forces and the 
energies, but maybe I decreased it to much. Now I'll check if a smaller 
threshold will give me reliable results. 

Greetings,
Katalin

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