Dear users I have doubt regarding spin orbit coupling. I tried to plot the band structure with spin orbit coupling. But i got some error as mentioned below, when i am running the x spaghetti -so.
forrtl: severe (64): input conversion error, unit 30, file case.irrepso The crystal structure is orthorhombic and it is a insulator. So I want help to know, how I can plot the band structure with the spin orbit coupling. -- Swetarekha Ram, -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110903/4589915b/attachment.htm>