[Pw_forum] References for damped dynamics structural minimization?

[Paolo Giannozzi]

On Tuesday 04 August 2009 16:14, J. J. Ramsey wrote:

> 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')

if you find anything, please let us know

P.
-- 
Paolo Giannozzi, Democritos and Udine University

[Pw_forum] References for damped dynamics structural minimization?

[J. J. Ramsey]

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.