Dear Dr. Postnikov. Sorry I have made an mistake, What I mean that: When I choose subblock # 0 = 1.0 and subblock # 1 = -1.0, I got the result same as when I choose subblock # 0 = 1.0 and subblock # 1 = 1.0.
The result is the plot of charge density like your picture in page 28 in your slide (visualization and post-processing tools for siesta). Previously, I hope that I will got the profil of spin density when I choose subblock # 0 = 1.0 and subblock # 1 = -1.0, as you said in the slide, page 26. "Choose 1.0 and 1.0 for plotting the charge density,1.0 and −1.0 for plotting the spin density". I am new in computational field. Please give me a clue. Thank you Best Regards Yuly Kusumawati >> 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 >> >> > >
