[Wien] MINI :WARNING
Jack London
yshzhang88 at yahoo.com
Thu Jul 29 19:03:05 CEST 2004
Dear all
When I use mini to relax Pd(111) surface, choosing
PORT
in case.inM, it generate some :WARNING message during
the job runing.
FORTRAN STOP >> (mini) arrived at end -> exit
:WARNING, CURVATURE CONDITION FAILED
:WARNING, S.Y WAS -1.28667240000000D-007
:WARNING, MIMIMIZATION MAY BE IN TROUBLE
Fallback to compatibility mode with "old" save_lapw
broyden files deleted, clm*, dmat*, scf and struct
files saved under Pd_surface111_2
I don't know if it is a serious problem. Can I ignore
it?
Thank you in advance.
Zhang
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