Nigel W Moriarty wrote:
It seems to want an ASCII file. Can SIESTA output an ASCII .DRHO density file.
Yes, it can. There is a file named m_iorho.F (or something similiar). In this file there is a line which says the output format should be 'unformatted'. Change it to 'formatted' (and recompile). Then you will get your .RHO and .DRHO files in ASCII format. Andreas
