> > Dear all, > I compiled rho2xsf.f and I didn't get any error but it is not going > properly. It is supplying *.xsf file but when i try to view it using > xcrysden, it's Tools -->Data Grid isn't active!
Hi, this is because your .XSF file only contains the info about structure (imported from your XV file) but not about the grid data (failed to be imported from your RHO file) > Of course when I do it I see this message in terminal: > Found and opened: C2H2.RHO > mesh0 = ( 0 16 0 ), nspin= 120 > forrtl: severe (71): integer divide by zero > > Could anybody guide? Yes. Read what is written in the README file to Sies2xsf tools and at the beginning of the file rho2xsf.f : You should use the same system architecture (and compiler options) for running siesta (who produces the binary RHO file) and rho2xsf (who reads it), otherwise no wonder it reads nspin=120 etc. Best regards Andrei Postnikov
