Dear colleagues: is it possible to specify initial velocities for atoms in pwscf/md run? From input description seems like not, but may be someone could make a trick tampering with restart files?
-- ******************************************************* Ilya Ryabinkin Postdoctoral Scholar Physical and Environmental Sciences University of Toronto Scarborough http://www.utsc.utoronto.ca/~aizmaylov/Members.html ******************************************************* _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum