Berry Phase for periodic system during EFIELD

Pankaj Mishra pkmis... at
Wed Jul 2 13:41:59 UTC 2014

Dear All,

I am bit wondered about Berry Phase for periodic system during applying  
As i read in this paper (Quantum-Mechanical Position Operator in Extended 
Systems;  DOI: 10.1103/PhysRevLett.89.157602), 
the position operator (defined within the Schrödinger representation in the 
standard way) becomes
meaningless when periodic boundary conditions are adopted for the wave 
function. Then we require Berry Phase theory. In the old version of CP2K 
2.1, there was a column for Berry Phase.
But that has been removed  in later versions. May i know that how this has 
been taken care in the newer version? Do you expect some discrepancy during 
application of efield on periodic system?
I hope for some reply.

Thank you in advance!!! 

with regards--

Pankaj Mishra

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list