I have written a small code (fix dipole) which calculates the dipole moment components and total dipole moment of a group of atoms. Although i do not guarantee the the correctness of the result i believe it is working fine. Let me know if you need it. The instantaneous volume can be added to get the polarization directly.


On 6/11/07, majdoub sabri <> wrote:
Dear users,
I am a new Lammps user and I want to know if there is any way to compute the polarization (macroscopic or other) as output from Lammps calculation. I checked the manual, you can apply electric fields but it is strange that there is nothing related to polarization, electric potential, electric potentials outputs,...
Thank you in advance for your help.

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