[Wien] how to extract and plot the spin-charge density

[tran at theochem.tuwien.ac.at]

Hi,

You can use XCrysDen, see page 188 of the user's guide:
http://www.wien2k.at/reg_user/textbooks/usersguide.pdf

or run yourself lapw5 (see page 144 of the UG) and then use
a software to plot the data in case.rho

F. Tran

On Sat, 3 Aug 2013, Madhav Ghimire wrote:

> Dear wien experts and users,
>    I am interested to plot the iso-surface spin charge density using the
> wien2k calculated data.
> Using the scf file I fail to plot the iso-surface of spin-charge density.
> 
> Does someone familiar on
> (i) how to  extract the information of spin-charge density and from which
> file
> (ii) how to plot the iso-surface of spin-charge density
> 
> I will be very glad for your help.
> Thanks in advance
> Best regards
> Madhav Ghimire
> 
> 
> -- 
> MANA, Nano-System Theoretical Physics Unit
> NIMS, Tsukuba, Japan
>