we can not compute termal capacity by LAMMPS software . is not it? if your reply is true, how we can? please
we can not compute termal capacity by LAMMPS software . is not it? if your
reply is true, how we can? please
this is a question, you should be easily find
an answer by yourself. please check out:
http://bit.ly/upFiiy
You can it, please first specify in what ensemble you will do a
simulation then dump total energy of system step by step and use
fluctuations of energy with C_p=(dE/dT)_p ( for constant pressure ) to
determine thermal capacity.
Farrokh