On Thu, Aug 28, 2014 at 2:50 PM, Chukwu Jonathan <chuxjoh at gmail.com> wrote: > My calculation is QE and I am using it to solve problems on Molecular > Dynamics (MD). Please do we have anyone working on MD to put me through?
that is far too generic a question to help you with. how to run an MD is not explained in a few words. please keep in mind that a mailing list is no replacement for an adviser, textbooks or a tutorial. specific QE tutorial materials are available here: http://www.quantum-espresso.org/tutorials/ there also is the documentation and FAQ. axel. > Thank you > > -- Dr. Axel Kohlmeyer akohlmey at gmail.com http://goo.gl/1wk0 College of Science & Technology, Temple University, Philadelphia PA, USA International Centre for Theoretical Physics, Trieste. Italy.