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
scaled velocities in the CONTCAR file
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sammu09
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scaled velocities in the CONTCAR file
Last edited by sammu09 on Mon Jul 29, 2013 9:44 pm, edited 1 time in total.
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support_vasp
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Re: scaled velocities in the CONTCAR file
Hi,
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