How accorate for VASP to hadle priodic system?

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yangsw · #1 Post by **yangsw** » Tue Dec 16, 2008 3:30 am

In recent publication PRL vol.100 (2008)117207, the authors used VASP to handle the sandwich molecule Eu2(C8H8)3 and its charged states to calculate its magnetic anisotropic energy (MAE). I am wondering whether VASP can handle the periodic CHARGED wire system, i.e. positive or negative charged [Eu(C8H8)]∞ wire.

#2 Post by **admin** » Fri Dec 19, 2008 1:39 pm

please have a look in the online manual (chapter multipole corrections) to see under which conditions charged systems can be done.