Re: [Pw_forum] Macroscopic Polarization
Dear Mostafa, Thanks for the info. Best regards Subhodip Subhodip Chatterjee Junior Research Fellow Department of Chemistry University of Calcutta Kolkata, India ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
Re: [Pw_forum] Macroscopic Polarization
Dear Subhodip, Check example04 provided with pw.x. You can find it in: /Espresso_folder/PW/examples/example04 >From README: example04: This example shows how to calculate the polarization via Berry Phase in PBTiO3 (contributed by the Vanderbilt Group in Rutgers University). I would also recommend this paper: https://arxiv.org/abs/1202.1831 Mostafa MIT ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
[Pw_forum] Macroscopic Polarization
Dear all, I want to calculate macroscopic polarization using Quantum Espresso. Is there any tutorial (where I can get example input files and a brief discussion) available? It will be a great help if someone can provide me the links. Best regards Subhodip Subhodip Chatterjee Junior Research Fellow Department of Chemistry University of Calcutta Kolkata, India ___ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
