Questions about the MD
Posted: Sat May 01, 2010 6:47 pm
I have several questions about the MD computation of VASP .If I want to simulate NVT ,and I want to simulate time is =10ps ,and my time of computation is limited ,the final temperature is 2000K ,could I first simulate the first end time is 1000K ,and then I go on with the first results ,and do the simulation of temperature from 1000K to 2000K?
If it works ,How shoud I operate ?
If it works ,How shoud I operate ?