[Wien] warning in mini with PORT

L.Z. Sun lzsun at mail.sitp.ac.cn
Sun Nov 14 13:31:40 CET 2004


Dear WIEN2k users:
when i relaxed a system with impurity with port method in case.inM,  tolf=1.0.
there have warning in the case.dayfile as follow:
 :WARNING, CURVATURE CONDITION FAILED
 :WARNING, S.Y WAS  -1.2869807756306795E-006
 :WARNING you might have inconsistent Forces/Energies

>   stop forces small, minimization stopped

>   relaxation steps summarized in hgcdteas.scf_mini

>   relaxed structure and results in hgcdteas.struct, scf, clmsum

>   please use   save_lapw save_file_name   to save the results

what's meaning of the warning information? can i trust the mini results?
thanks advance
 L.Z.Sun
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