[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
moment?
Regards,
Pierre
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