Dear all, I would like to optimize a crystal structure fixing some unit cell lengths and angles to their initial value. In my specific case, I would like to keep the orthorombic shape of the cell while relaxing only the 3 lattice lengths a,b,c.
Do you know a way to do this? Thank you in advance -- Carlo Motta Research Fellow School of Physics and CRANN, IE Mob.: +353 (0) 83440 8930 Trinity College Dublin, IT Mob: +39 3286845055 Dublin 2, IRELAND
