Dear Siesta users, is it possibile in Siesta to calculate only the Laplacian of a molecule with respect to nuclear displacement, i.e. only the diagonal part of the Hessian? I only need the laplacian, and this would save me a lot of time.
Thanks and regards Silvio a Beccara Università di Trento - Dip. di Fisica Via Sommarive, 14 38100 Povo - TN
