Dear all
In the VASP code, there are many potentials, such as PBE, to described different atoms.
Are there some potentials in the ATAT to describe different atoms?
If not, how does the ATAT code know the information of different atom?
Thank you for your answers?
Hi, ATAT does not perform ab-initio calculations itself. It only generates input files for ab-initio codes like VASP, and collects the calculation results. If you would like to use VASP for calculations in ATAT workflow with PAW_PBE potentials, use “USEPOT = PAWPBE” in your vasp.wrap file and set the path of PAWPBE potentials in ~/.ezvasp.rc → set POTPAWPBE=[your path]