Dear quantum espresso community, We would like to monitor the ion velocities during an MD run of pw.x and cannot find appropriate key words for that in the documentation. Would we need to modify the code in order to output the velocities at each time step or is there another way? Similarly, we think that we figured out how to set initial velocities in the input file by adding " ion_velocities = 'from_input'", in the &IONS section and adding " ATOMIC_VELOCITIES" followed by a list for each ion. We could not find this in the documentation, so hopefully it is correct. It is a very nice feature (just in case you are tracking subroutine popularities). Thanks kindly for advice on this. Sincerely, Natalie
N. A. W. Holzwarth email: nata...@wfu.edu Department of Physics web: http://www.wfu.edu/~natalie Wake Forest University phone: 1-336-758-5510 Winston-Salem, NC 27109 USA office: Rm. 300 Olin Physical Lab
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