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
