Dear Colleagues and Prof. Blaha, There appears to be a limit of bandindex:999 in bandsup/dn.agr (no space between : and 999]. For large supercells, this limit truncates the calculated band structure data generated by spaghetti [-so]-up/dn -p -band. Can this be modified by the user and if so, in which subprogram?
Thanks in advance, Kamil Klier ---------------------------------------------------------------- This message was sent using IMP, the Internet Messaging Program.