Hello, to compute and visualize the electron density you may use the SaveRho flag in order to create the Systemlabel.RHO file at the end of the SCF cycle and then post-process it. For the post-processing you can use the Sies2xsf package which has already been mentioned in the mailing list. An other way is to use the denchar program wich is distributed with the siesta package.
I hope it helps, Simon > Dear all, > Please tell me how to calculate electron density for a system. I have > done a calculation with option SaveTotalCharge .true. and i get a file > named systemlable.TOCH. But dont know how to analyse it. > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com
