# Check the syntax of the VASP input file before running

I am a rookie in the DFT calculation area, I found that I could often make mistakes when writing a new input file, so I'd like to ask if there is a tool for checking the syntax and consistency of these input files before I running the calculation on HPC? Or maybe some tools help me to generate these input files of INCAR, POSCAT, KPOINTS?

• Consider using ASE. Oct 2 at 17:29

You can also use the GUI to setup your calculation and for spin polarized systems this can be very helpful. You can define magnetic moments in the GUI visually, save as a .traj file, load into ASE, and the spin polarization will be done automatically for you. This is particularly helpful since the VASP syntax for it is easy to make mistakes with.
• Just to be extra clear even though it's an aside: If you select setups='materialsproject', it will only match the name + suffix of the pseudopotential but not necessarily the version (you have to make sure you're using the right version yourself). Oct 3 at 3:47