[DFTB-Plus-User] restarting MD

[Giovanni La Penna]

> The first three columns are coordinates of atoms. I am not clear about the
> meaning of other columns and which is velocity. What should be the correct
> format of velocities setting for all atoms in the restart input? Thank you
> very much.

I am quite sure that columns 6-8 (the last three columns) are
velocities in AA/ps. The units maybe only if input is
in ps (time) and AA (coordinates). Column 5 looks the valence
Mulliken charge (in e-).

                  Giovanni

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Giovanni La Penna - National research council (Cnr)
Institute for chemistry of organo-metallic compounds (Iccom)
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