plot of charge density

Message

xgxu · #1 Post by **xgxu** » Wed May 05, 2010 9:56 am

Please help me!
How to plot the minority charge density associated only to the states within the Fermi level?
Thanks a lot!

forsdan · #2 Post by **forsdan** » Wed May 05, 2010 10:11 am

You can generate a partial charge density for the specific energy interval that you want and then extract the majority and minority densities from the PARCHG file. Please have a look in the manual for details:

http://cms.mpi.univie.ac.at/vasp/vasp/node153.html

Cheers,
/Dan

panda · #3 Post by **panda** » Wed May 05, 2010 6:05 pm

once you do this you can plot with VMD http://www.ks.uiuc.edu/Research/vmd/ or XCrySDen http://www.xcrysden.org/ assuming you have formatted the file accordingly. You can plot the CHGCAR file directly in VMD also, if this might help you (?) Best of luck!

xgxu · #4 Post by **xgxu** » Thu May 06, 2010 3:03 am

Thanks forsdan and panda!!! I will try both methods.

Danny · #5 Post by **Danny** » Thu May 06, 2010 10:06 am

and don't forget VESTA, which is also able to plot 3D chargedensityfiles.