[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
,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
, >>>>>>> Katalin Gaal-Nagy <<<<<<< ,
, Gemeinerstr. 3 PHY 4.1.30 ,
, 93053 Regensburg Uni-Regensburg ,
, 0941/7501574 0941/943-2026 ,
,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
, >>>>>>> katalin.gaal-nagy at physik.uni-regensburg.de <<<<<<< ,
,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,
, >>>>>>> Tr"aume nicht Dein Leben, lebe Deinen Traum <<<<<<< ,
''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''
More information about the users
mailing list