[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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