[Pw_forum] Problem in plotting the Charge Density

[Juan Manuel Lopez]

Hi Meysam,

After you open the XCrysDen file (show the atomic structure), you need to go
to the menu Tools-Data Grid (in order to update the charge density values),
after that in the dialog box you can manipulate and plot your charge
density.

Note: For XCrysDen format you need output_format(3 or 5).


On Sun, Sep 19, 2010 at 10:21 AM, meysam pazoki <m_pazoki at physics.sharif.edu
> wrote:

> Dear PWSCF users
>
> I have a problem in plotting the 3D charge density in espresso.I ran my scf
> job.and now i want to
> use pp.x to plot charge density in 3 dimensions.I use *plot_num=0*,and use
> various parameters of *output_format(=4,5,6)* for 3d plotting of charge
> density but xcrysden cant show any meaningful data about charge density.Am i
> wrong in my pp.in file?
> can Anyone help me in this problem?
> Thanks in advance
> meysam pazoki
> SUT
>
>
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>


-- 
Best regards,
--------------------------------------
Juan M. Lopez Encarnacion
Research associate, Institute of Physics, Universidad Autónoma de Santo
Domingo, Dominican Republic
Graduate Student Doctoral Program in Chemical Physics, University of Puerto
Rico, Rio Piedras Campus
P.O.Box 23343
San Juan, PR 00931-3343
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