My Community

Dear Sir or Madam,

Who could give a favor? I wish to do the constant temperature molecular dynamics. How could I set the input files. I tried many times but failed in keeping a constant temperature.

Thanks very much!

MDrizzle

Please see:
http://cms.mpi.univie.ac.at/vasp/vasp/n ... html#ex-md

Dear Vasp users,

I still unable to perform MD for high temperature and pressure, can any one suggest me the proper script to perform MD of 8, 16 or 64 atoms using constant temperature MD.