[CP2K-user] Dipole Moment with Berry Phase method

Pierre-André Cazade pierre.a... at gmail.com
Mon Jul 6 10:19:24 UTC 2020

Dear CP2K users,

When using. a classical forcefield, is the dipole moment computed by FIST 
with the Berry Phase method the same thing as what is commonly called the 
Berry Phase? Furthermore, when using the polarizable forcefield, are the 
induced dipoles involved in the calculation of the Berry Phase dipole 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200706/aeef705e/attachment.htm>

More information about the CP2K-user mailing list