I need to visualize 2D plot of LDOS, and also save it, because I need to compare isolines of similar systems. Not sure it is possible in XCrysden.
Now I think Util/Contour in Siesta package would be the right choice. I will try this. Ruslan 2010/7/9 <[email protected]> > > Ruslan, > > RHO and LDOS files have exactly the same format > > but as far as I understand (not sure 100%) Denchar does not read them to > > plot the charge density, it uses the wavefunctions directly. > > But no, Ruslan - > denchar is perfectly suited to plot either wavefunctions or charge density, > there is switch in it about which one you want to plot. > And it perfectly allows to make 2-dim plots. > However, I think it adds file extensions by default, > so there might be no way to plot LDOS, > unless you rename your LDOS file into RHO for a couple of minutes. > > > Try /Util/Contrib/APostnikov changing the direction of the unit cell > > vectors and plotting with xcrysden > > this should work, but isolines options in XCrysden are not so flexible > as e.g. in gnuplot. > > Good luck > > Andrei Postnikov > > > or > > Util/Contour (not sure it does what you need but looks like that was the > > point of the program) > > > > or > > /home/voznyy/SIESTA/SRC/siesta-3.0-rc1/Util/Grid/grid2cube > > and plot the 3D cube file with > > http://www.geocities.jp/kmo_mma/crystal/en/vesta.html > > it can then cut through any plane > > > > Alexander. > > > >
