Dear all , I am calculating the SO calculation of a double perovskite compound using wien2k package. I have done the all the steps according to userguide. I had made case.klist_band from xcrysden. I have run
x lapw1 -up -band x lapw1 -dn -band x lapwso -up -band After last run I am getting the following error { ERROR IN OPENING UNIT: 9 FILENAME: ./LCMO.vectordn STATUS: old FORM:unformatted OPEN FAILED 0.001u 0.000s 0:00.08 0.0% 0+0k 0+0io 14pf+0w} I donot understand what is the difficulty in running if all inputs are correct. Could u please give me any suggestion to overcome the difficulty. Thanks. Santu Baidya SNBNCBS,JRF KOLKATA -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101103/0f4a0df9/attachment.htm>