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.



      

Reply via email to