Thanks all.. and sorry for my sending the mail repeatedly (I kept receiving mails which told me that my mail was not delivered successfully...)
finally I set the calculation restart mode to "restart"...and it give a result which seems right, at least the total energy but I have to check the other information. -- Haowei Peng Northwestern University Department of Physics & Astronomy 2145 Sheridan Rd. Evanston, IL 60208-3112 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090918/3be3c622/attachment.htm
