Hello,

using Discover one has the following barostat options: Andersen, Berendsen and Parinello. The first two keep all cell angles fixed and scale the A, B and C lengths isotropically, whereas the Parinello approach is completely anisotropic, i.e. changing all angles and cell lengths independently.

Is there a way to fix the cell angles but change the A, B and C cell lengths of the unit cell independently? (Or change at least two cell lengths independently of the third one?)

Many thanks for you help!

Jansen