Posted by Dongwen Zhang on August 18, 2012 at 11:57:22:
In Reply to: Jobold not found posted by Dongwen Zhang on August 16, 2012 at 09:43:12:
: I calculated the PECs of doubly charged ions. For some points if the wanning: jobold not found shows upon the RASSCD module, then it will be very time consuming and not converge at the end.How can I handle this problem?
I found that this is not a problem! The optimization still goes well even this appears.Sorry about misunderstanding.