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Dear all,

I am trying to perform a calculation of the macroscopic polarization with the PEAD routines (LCALCPOL = .TRUE.) for a hexagonal lattice. I want to skip the Gamma point in the k-mesh so it is not included in the integration. When I do that, VASP complains about the symmetry of the k-mesh and skips the calculation of the polarization.

Is there any way to perform this calculation? Will I be able to carry it out if I choose an orthorhombic-equivalent supercell instead of the hexagonal unit cell?

Thanks,
Miguel

I have actually managed to do the calculation with an orthorhombic cell which allows me to skip gamma. However, I'm still interested in a way to do it maintaining the original hexagonal symmetry, if anyone has the solution.