The optimization is running (I don't know slowly or quickly, it's depends).
Note, the max atomic forces and siesta E_KS energy decrease as a
function of cycles number (although there is some increases).
I think it's ok (I didn't see the optimization parameters. But I think
you are using a high DM. tolerence (1.d-5) compared with a low MessCutoff.
I would recomend you to increase meshcutoff.
Regards
Gregorio
I am doing force minimization using SIESTA and my calculation is
still running (more than 4 days) i think this is convergence problem.
Can any one help me in this regard. I have attached mu output file.
With regards
hakkim
--
Gregorio García Moreno, PhD
Modélisation des Systèmes Complexes
LECIME UMR 7575, ENSCP Chimie Paristech
11, rue Pierre et Marie Curie - 75231 Paris Cedex 05
