ABINIT Discussion Forums

Hello, I am trying to calculate phonons for 24 atoms system. I calculate it in three steps: Dataset 1: Ground state calculation Dataset 2: d/dk calculation Dataset 3: Response function calculation at Gamma with electric field perturbation some parameters I have used are: ecut 46. ngkpt 6 6 6 nband 4...

Hello,

I am wondering how to do dihedral angle constraint in abinit ?

Thanks,

Vivek