simple example of automation of VASP calculation for molecules on surfaces
This is very simple and specific example of using ASE and paramiko to generate structuer (PbPc molecules on Cu(111) surface) & send some necessary files to supercomputer center. Normally, you need to add proper POTCAR and sometimes vdw kernel in templete-vasp-imr folder, but in this example I don't include them because of the problem of licence.