[CPMD-list] how to choose a different set of initial velocities?

Bin Pan binpan at MIT.EDU
Wed Mar 28 20:18:23 CEST 2007


Hi all,

I want to assign a different set of initial velocities according to 
Boltzmann distribution when starting a MD simulation
in CPMD at a given temperature. Is there a knob present in the 
current code that I can tune to achieve this?

Please let me know and thanks a lot in advance!

Best regards,
Bin.




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