Hi Ayria I know that lberry (Berry phase) is for insulating characters You should choose insulating matters and Graphene has no insulating character plz, notice that spontaneous polarization and in general electronic and ionic polarizations can occur in gapped material (such as insulators and semiconductors) Please see and study "Modern theory of polarization" papers (like: King-smiths- R.Resta, Vanderbilt and ....)
Regards Mojtaba Mirseraji Ph.D. Student Arak University, Arak, I.R.Iran On 12/13/14, [email protected] <[email protected]> wrote: > Dear all > > Hi > > I would like to include Berry phase in calculation of wavefunction of > graphene but it seems I cannot to it by lberry=.true. > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > Error in routine iosys (1): > Berry Phase/electric fields only for insulators! > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > is there any possibility to include geometry phase or Berry phase in > wavefunction when I calculate graphene wavefunction. > > Best Regard, > > P.Ayria > > PhD student Japan > Tohoku university > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
