Dear MOLPRO users, I have the following error message in the UHF energy calculation of a metal complex,which includes 394 basis functions. The system has 158 electrons (82 alpha and 76 beta electrons). The error message appears during the UHF iteration (110 iterations, but convergence is not achieved). The message is: More than 200 records on file 4 ? Error ? Too many records ? The problem occurs in reservem ERROR EXIT I have no idea for what's going on, and I appreciate any solutions, suggestions, or comments. Thank you very much in advance. Yoshi
--------------------------------- Yoshinobu Akinaga, Dr. University of Tokyo, Dept. of Applied Chemistry e-mail: [EMAIL PROTECTED] ---------------------------------
