Re: [Pw_forum] Total potential under Berry phase electric field

2015-10-09 Thread Mostafa Youssef
This question is resolved. I understand a little better now that in small field regime one solves for polarized Bloch states and as such the charge density is indeed periodic. Mostafa ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mail

[Pw_forum] Total potential under Berry phase electric field

2015-10-05 Thread Mostafa Youssef
Dear all, I plotted the total potential (bare + Hartee + xc) for MgO under finite electric field applied via Berry Phase approach. This is basically example 09 in CPV/examples and I run the same calculation also using PWscf. Attached is the result. In particular the macroscopic average of the