> Dear Siesta Users > > I have a problem when I have tried to plot spin density using XCrysden. I > have followed the steps in the Dr. Postnikov slide's. And I have got the > plot of charge density. > When I tried to plot the spin density by change the multiply factor in > subblock #1 = -0.1. What I have got is again the charge density, it is not > the spin density that I want to plot.
Dear Yuly: I don't know what you expect by selecting > subblock #1 = -0.1. This gives you 10% of the spin-up density. How about the spin-down one (subblock #2)? In order to get (spin-up) MINUS (spin-down), take weights +1.0 for subblock #1 AND -1.0 for subblock #2 as, you say, was in the lecture. Best regards Andrei Postnikov > > My questions are: > 1. Is my step is right? Because I read on the Dr. Postnikov slide's in the > page 12, that for plotting the spin density we have to choose 1.0 and -1.0 > in the subblock. > > 2. What is the right step for plotting spin density? > > Thank you for your answer. > > > Best Regards > > > Yuly Kusumawati > > > -- > > http://www.its.ac.id > >
