Hello all, I am using scf to run the BO molecular dynamics (scf.x, not the cp.x code which uses CPMD). However, I did not see the output of of velocities. The .output files gives updated forces and coordinates, but there is no information about velocity. In the .save file, I also did not find it. I may get the velocity from updated coordinates in each step but that is a crude approximation. I wonder whether scf MD could output the velocity or not. Hopefully I just do not know this setup.
Best, Tian -- Lan, Tian Ph.D. Candidate, Department of Applied Physics and Materials Science California Institute of Technology, Caltech M/C 138-78, Pasadena, CA, 91125 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130102/de44d1a4/attachment.html
