[Pw_forum] References for damped dynamics structural minimization?

J. J. Ramsey jjr19 at uakron.edu
Tue Aug 4 16:14:07 CEST 2009


I've been trying to find references for the damped quick-min Verlet algorithm used by PWscf in structural relaxation (when calculation = 'relax' and ion_dynamics = 'damp'), but about the only references that I find relate to the quick-min Verlet minimization often used in NEB calculations. Is the same damped dynamics algorithm used in both the NEB calculations and structural relaxation? Where might I find references (journal articles, textbooks, etc.) on the damped dynamics algorithm?


University of Akron
Civil Engineering (!) Dept.



      



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