#Job performance
 NPAR = 8       #Use 4 or 8 with 32 cores
 KPAR = 2       #Not sure if 8 is good

#Method
 GGA = PE
 IVDW = 12              #12 is d3bj dispersion correction
 #LHFCALC = .TRUE.       #True is default for b3lyp
 #LDIPOL=.TRUE.          #True should be used with polarized slabs
 #IDIPOL = 3             #direction of the normal of slab surface
 #DIPOL=0.5 0.5 0.5     #do not set it, VASP default is good for orthorombic
 #NBANDS = 200          #Default is good
 #KGAMMA                #Best not to include it! 
 #ADDGRID               #Do not include it

 #Type of job
 IBRION = 1            #-1 is SP, 2 is most reliable, 1 is best when close to the minimum
 ISIF = 3              #3 is all 3 degrees of freedom
 #ICHARG = 0            #How vasp construct initial charge density. 1 is read from CHGCAR.

#File writing
 LWAVE = TRUE          #Write WAVECAR? It can be hefty
 LCHARG = TRUE          #Write CHGCAR. Nice to have when restarting (through ICHARG) with small changes

#Calculation accuracy
 ENCUT = 900.000     	#Energy cut-off
 EDIFF = 1.0e-06       #SC-loop condition. 1E-5 is enough for optimizations
 EDIFFG = -1.0e-03     #Condition for ionic relaxation loop. Positive means change in energy. Negative means absolute forces (more convenient).
 SIGMA = 0.01           #Smearing width in eV
 PREC = Accurate        #Just use accurate
 ISMEAR = 0             #Type of smearing. Use 0 but idk
 NSW = 200              #Max number of ionic steps 0 if IBRION=-1, maybe 200 otherwise

#Calculation performance
 ALGO = Normal        #Fast or VeryFast are ok. Damped when orbitals are read from WAVECAR. But doesn't really matter maybe
 ISTART = 1            #read the wavecar? 0|1|2|3. Default is 1 if WAVECAR exists
 ICHARG = 1            #read CHGCAR? 0|1|2|4. I only understand 1
 #BMIX                  #I don't understand it.
 NELM = 200             #Max number of SC steps 
 AMIN = 0.01            #I don't understand it. Use default (usually 0.1) for bulk and 0.01 for slabs
 Time = 0.4
 NSIM = 4
 NELMIN = 5
 POTIM = 0.15

