Could anyone provide an example about organic molecular crystal structure prediction?

[团山通讯]

Dear developers and users,

      I am now trying to set up a workflow to predict the crystal structure of small organic molecules, with USPEX2022.1.1 & VASP or LAMMPS. I found there are many problems regarding molecular crystal structure prediction. And no related example can be found in the given examples (included with the software).

Could anyone provide an example about organic molecular crystal structure prediction (for example, methane)? USPEX2022.1.1 & VASP or LAMMPS will be more appreciated.

 

Best regards

 

Tuanshan