r2SCAN

If you haven't done so already, carry out a geometry optimization on your material to make sure it is at a local minimum in the potential energy surface.
Calculate the WAVECAR and CHGCAR files via LWAVE = .True. and LCHARG = .True., respectively. This is a self-consistent field (SCF) calculation.
make sure to generate a KPOINTS file in this process
Using your DFT-optimized structure (e.g. the CONTCAR), upload the crystal structure to the  SeeK-path  GUI and click "Calculate this structure."
SeeK-path will generate two important pieces of information: the standard primitive cell for the band structure calculation and its corresponding KPOINTS_OPT file. This structure may be a different representation than the one from your geometry optimization.
Using the data on SeeK-path page, update your structure to have the lattice vectors and coordinates shown. To do this, I often take the CONTCAR from the prior calculation and copy/paste the new coordinates and lattice vectors over the original. Always view the resulting structure (e.g. in VESTA) to make sure it looks right.
formatting: 
Ca H  C  O
1.00000000000000
  4.9396152201  11.4544188646  0.0000000000
 -4.9396152201  11.4544188646  0.0000000000
 -4.9351335552   0.0000000000  6.7309470923 
    Ca              H               C               O
      2    40    16    16 
 Direct 
  0.8748874473   -0.1251125527  0.0000000000
  ...
For the KPOINTS_OPT file, click the "VASP KPOINTS input for LDA/GGA" drop-down and copy the text to your clipboard. This will be your  KPOINTS_OPT file. The only thing you need to change is the <...> in the second line, which should be replaced by an integer containing the number of points you would like between each high-symmetry point. A value of 20 is typically fairly reasonable to try.
With your updated structure and your k-path, run a non-self-consistent field (SCF + NSCF) calculation in VASP. This calculation is nearly identical to a standard single-point calculation except that you need to set ICHARG = 1, ISTART = 1 to start from the previously converged CHGCAR, WAVECAR. Also, set LORBIT = 11,  METAGGA = R2SCAN, LASPH = .TRUE.
You will also need to use the old KPOINTS and new KPOINTS_OPT file you made and disable any kspacing flags you may have been using.
You need the POTCAR from the previous structure relaxation
You need the POSCAR (updated CONTCAR with new SeekPath lattice constants) 
You need the CHGCAR, WAVECAR
Run a basic vasp job using this submission script:
#!/bin/bash
#SBATCH --job-name=band_struc       # create a short name for your job
#SBATCH --nodes=1                # node count
#SBATCH --ntasks-per-node=112    # total number of tasks per node
#SBATCH --cpus-per-task=1        # cpu-cores per task (>1 if multi-threaded tasks)
#SBATCH --mem=960G               # memory (up to 1 TB per node)
#SBATCH --time=24:00:00          # total run time limit (HH:MM:SS)
#SBATCH --account=rosengroup
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source ~/.bashrc
module purge
module load anaconda3/2024.10
module load vasp/6.6.1
conda activate cms2
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srun vasp_std > vasp.out
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