[DFTB-Plus-User] restarting jobs

[Duncan Riley]

Dear dftb users,

 

Can anyone help me with a simple way of continuing  an MD simulation for
more time steps?  Currently I am copying the new coordinates from the .gen
file to the dftb_in and changing the ReadInitialCharges to Yes.

 

Thanks

 

Duncan 

 

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Dr Duncan Riley

Institute for Materials Research

Maxwell Building

University of Salford

+44 161 2954988

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