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 > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Best regards, -------------------------------------- Juan M. Lopez Encarnacion Research associate, Institute of Physics, Universidad Aut?noma 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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100919/7d432655/attachment.htm
