[Pw_forum] what's the difference between 'md' in pw.x and cp.x

[Paolo Giannozzi]

vega lew wrote:

> Do you think both 'md' calculation in pw.x and 'cp' in cp.x could be 
> regard as the 'Car-Parrinello Molecular Dynamics' calculation

no: pw.x performs molecular dynamics (MD) with electrons on the ground
state (also known as Born-Oppenheimer MD). cp.x performs Car-Parrinello
MD.

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy