ABINIT Discussion Forums

Hello everyone,

I just find optcell, ionmov, dilatmx and tolmxf parameters to control (BFGS algorithm)
structural optimization in abinit, I wonder if there are some other parameters such as

trust_radius:
Maximum ionic displacement in the structural relaxation

bfgs_ndim:
Number of old forces and displacements vectors used in the
PULAY mixing of the residual vectors obtained on the basis
of the inverse hessian matrix given by the BFGS algorithm.

These parameters can improve the convergence in some big complex
system. if someone know how to set it, could you please send me a
example to me? Thanks in advance.

Best

Hongwei