Dear Wien users, I am working with a transition element oxide. After completing the initialisation when the scf cycle is started the execution stops after lapw0 ends. In the error file it is stated 'Select error' : no energy limit found for l=0 It will be appreciated if any one can suggest to solve this problem.
Arun Kumar Chatterjee -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100606/2dc116b9/attachment.htm>