ABINIT Discussion Forums

I have similar problems with you. When I calculate two dimensional systems such as GeSe, SnSe, and SnTe, the outputted forces are extremely large. The structures used have already been optimized with VASP or Quantum Espresso codes. For other 3D systems, Abinit can always get consistent results with ...

Dear Abinit developer, I am Hongwei Wang, a postdoctoral fellow at the University of Minnesota. I am trying to study the two-dimensional material SnSe with Abinit code. When I use Abinit to calculate the equilibrium structure optimized by VASP code， the output forces are extremely large，indicating t...