Did you just ignore the error and run the scf iteration? 2011/4/17 SANJAY KUMAR SINGH <sanjayfizix at gmail.com>: > Respected? Prof. L. Marks > Sir, > Thank you for your quick reply. Sir We are using very old version of Wien2k > 9.1 on my server. > Sir, Prof. M.Rajagopalan suggested that check your case.struct file, I > checked it. Same case.struct file is running very well on another System. > Sir, I am unable to resolve the problem please give me any suggestion on it. > I will remain grateful to you. > I am waiting for your reply. > > With kind regards and Thanks, > > SANJAY KUMAR SINGH > JRF (DST), NEW DELHI > CONDENSED MATTER THEORY GROUP > SCHOOL OF STUDIES IN PHYSICS > JIWAJI UNIVERSITY > GWALIOR - 474 011 (M.P.), INDIA > Mobile : +91-9200679799 > PHONE? : +91-751-2442777? (Office) > FAX? : +91-751-2442784 > > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > >
-- Laurence Marks Department of Materials Science and Engineering MSE Rm 2036 Cook Hall 2220 N Campus Drive Northwestern University Evanston, IL 60208, USA Tel: (847) 491-3996 Fax: (847) 491-7820 email: L-marks at northwestern dot edu Web: www.numis.northwestern.edu Chair, Commission on Electron Crystallography of IUCR www.numis.northwestern.edu/ Research is to see what everybody else has seen, and to think what nobody else has thought Albert Szent-Gyorgi