> hi > > i was giving a 1 x 1 x 10 grid > now i changed it to 10 x 10 x 20 grid > > and generated the xsf file
Now it's technically correct, but your grid too sparse to see anything meaningful. > can you please how to view the charge density surface using the Data Grid > option in xcrysden Select in the top menu: Tools -> Data Grid Select the data block (there is only one in your case, already selected), set Isovalue (in the window that opens), press 'Submit'. > what value should i give as isosurface value?? You see max. and min. values above the isovalue window. Obviously you should give a value in between, to see anything. The rest depends on what you want to emphasize in your figure (trial and error, please). Best regards Andrei Postikov
