My Community

Hello, VASP developers, How can I scaled the velocities in the CONTCAR file after the previous MD-run and using the CONTCAR file with velocities scaled but with the same positions of old CONTCAR, I need as input for a continuous MD-run, for example:

V_new = Sqrt[T_new/T_old] x V_old

Is necessary only modified the velocities in the CONTCAR file for this factor or is necessary taken care with the predictor-corrector coordinates, What is the format of impress predictor-corrector and the order of algorithm?

Thanks

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP