Here, we provide files required to reproduce PBE+U calculations used in this work to find the ground state of magnetic monolayers studied in the manuscript:"Exploring the magnetic landscape of easily-exfoliable two-dimensional materials"

For each system there is a directory and the input required to use in romeoDFT package. To start the workflow one uses the command:
romeo searcher create the_name_of_the_search scf.in

The pseudopotential used for each systems are also given.

For three monolayers we have uploaded all the inputs and outputsa created by romeo workflow: CrI3, FeBr2, VCl3
For these three cases the description of the data is as the following:

For each material, there is a directory named "job_backups" that contains hundreds of folders. Each folder represents a minimum in the energy landscape and includes the necessary input for a self-consistent calculation (scf.in). These inputs are tailored with specific initializations for the occupation matrices of atomic orbitals for the magnetic atoms. Execute these calculations with the following command:

pw.x < scf.in > scf.out

To exactly replicate the state of the original calculations, the same parallelization approach may be required, as can be deduced from the scf.out output file.

The folder producing the lowest energy identifies the magnetic ground state. Additionally, this state is also given in a separate directory named "electronic_bands" for each material, where the electronic bands of the system are calculated.