[CPMD-list] velocity output

[liu liuxiandong]

Dear CPMDers,

  I want to extract the vibration properties of some atom species from the
velocity correlation function along the MD simulation. I find that the
output TRAJECTORY file contains all ionic positions and velocities, so the
file is huge for a MD trajectory lasting several picoseconds. Could CPMD
outputs the velocities of the atom type specified by the user ? Any
suggestion is appreciated .



Xiandong Liu
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