timestep in MD simulation

Samuel Andermatt samuel.a... at student.ethz.ch
Wed Nov 25 12:20:27 UTC 2015

First, if you specify ls_scf in the qs section your scf section is probably 
ignored. Your system appears to be too small for ls_scf anyway and metallic 
systems do not really work with ls_scf. If you still want to use it you 
need to set mixing_fraction in ls_scf to a lower value (like 0.1 or 0.2) 
but with a metallic system it probably still wont work.
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