Dear QE developers and users; I'm using QE-4.3.2 and I wanna do Molecular Dynamics calculations, with Conjugate Gradient scheme... When looking to PWscf documentation (INPUT_PW) I find only the "verlet" and "langevin" algorithm for "calculation=md" !! I wanna be sure if the conjugate gradient is included (possible) or not?
Thanks in advance Best regards? ? ======================================= Abdesalem HOUARI ------------------------------------------------------------------------------------------- Department of physics, Theoretical Physics Laboratory University of Bejaia-06000. Algeria. E-mail:?abdeslam.houari at univ-bejaia.dz & habdslam at yahoo.fr https://sites.google.com/site/houariabdeslam/homepage Phone: +213 34 21 53 04 Fax: +213 34 21 59 86 Cell phone: +213 551 36 29 01 (emergency only !!) ======================================== -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120110/aede0168/attachment.htm
