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plot of charge density
Posted: Wed May 05, 2010 9:56 am
by xgxu
Please help me!
How to plot the minority charge density associated only to the states within the Fermi level?
Thanks a lot!
plot of charge density
Posted: Wed May 05, 2010 10:11 am
by forsdan
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
plot of charge density
Posted: Wed May 05, 2010 6:05 pm
by panda
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!
plot of charge density
Posted: Thu May 06, 2010 3:03 am
by xgxu
Thanks forsdan and panda!!! I will try both methods.
plot of charge density
Posted: Thu May 06, 2010 10:06 am
by Danny
and don't forget VESTA, which is also able to plot 3D chargedensityfiles.