[molpro-user] about optimization calculation

[Wang Mingwei]

Hello everyone,

When I did an optimization calculation I was confused about such erroneous 
information:
STARTING GEOMETRY OPTIMIZATION FOR MULTI

 CONVERGENCE THRESHOLDS: 0.300D-03 (STEP) 0.300D-03 (GRADIENT) 0.100D-05 
(ENERGY)
 MAX. NUMBER OF STEPS:          50

 *** Long output written to logfile /home/wangmw/BrCl/optg/BrCl_optg.log ***

 TOO MANY CONTRACTIONS
Could anyone give me some suggestion?
I am very grateful for everybody's help.
Best regards
mingwei

Mingwei Wang
College of Chemistry and Molecular Engineering
Peking University

mingwei at hpsv.pku.edu.cn