Berry phase term in vasp5.2
Posted: Wed Jan 27, 2010 1:33 am
Hi all:
when we calculate electric polarization from Berry phase in vasp4.6, we should take average of Pev term, but in vasp5.2 should we also take average of Pev? if it is true, there is no use in vasp5.2 to print P[ele]=Pev+Pbp?
can anyone help me? thanks in advance!
when we calculate electric polarization from Berry phase in vasp4.6, we should take average of Pev term, but in vasp5.2 should we also take average of Pev? if it is true, there is no use in vasp5.2 to print P[ele]=Pev+Pbp?
can anyone help me? thanks in advance!