Dear ADF users,

An error occured after SCF converged, the following is the error message:

 <Aug20-2005> <05:42:58> 112 ErrMat 0.00006461 MaxEl 0.00001150
 <Aug20-2005> <06:03:35> 113 ErrMat 0.00006033 MaxEl 0.00001088
 <Aug20-2005> <06:24:15> 114 ErrMat 0.00005680 MaxEl 0.00001033
 <Aug20-2005> <06:44:52> 115 ErrMat 0.00005317 MaxEl 0.00000977
 <Aug20-2005> <06:52:36> SCF converged
 <Aug20-2005> <09:24:22> WARNING: root must be bracketed in rtsafe
 <Aug20-2005> <09:24:22> WARNING: root must be bracketed in rtsafe
 <Aug20-2005> <10:06:01> STOP RECEIVED from 1048577 , tag= 5406
 <Aug20-2005> <10:06:02> WARNING: not all scratch files were closed
 <Aug20-2005> <10:06:02> END

What's wrong about the ADF job? Thanks a lot.

Regards,

Wang Bw
S241, Chemistry Building
Chemistry Department, Peking University
Bejing, China
TEL: 86-10-62765703
Received on 2005-08-22 05:07:18