5.15.3. minimizer.cg_method

eminus.minimizer.cg_method(scf, ik, cgform, g, g_old, d_old, precondition=True)

Do different variants of the conjugate gradient method.

Reference: https://indrag49.github.io/Numerical-Optimization/conjugate-gradient-methods-1.html

Parameters:

• scf – SCF object.

• ik – k-point index.

• cgform – Conjugate gradient form.

• g – Current gradient.

• g_old – Previous gradient.

• d_old – Previous search direction.

Keyword Arguments:

precondition – Whether to use a preconditioner.

Returns:

Conjugate scalar and gradient norm.