Respected Prof. P. Blaha and all wien users, Sir, I have tried to compute the band structure and DOS of DySb (spin-up) using LSDA+U with? U=0.5 Ry.? The total DOS and f-bands peaks are seperated while total DOS must overlap each other which is not seen in present case (as is evident from the figure).
Regards and thanks, Subhra Kulshrestha -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100909/3d3b259b/attachment-0001.htm> -------------- next part -------------- A non-text attachment was scrubbed... Name: 938355-26916.gif Type: image/gif Size: 18461 bytes Desc: not available URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20100909/3d3b259b/attachment-0001.gif>
