How accorate for VASP to hadle priodic system?
Posted: 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.