#Job performance
 NPAR = 4       #Use 4 or 8 with 32 cores
 KPAR = 2       #1 for very large cells, otherwise 2 or 4 is ok

#Method
 GGA = PE
 IVDW = 12              #12 is d3bj dispersion correction

 #Type of job
 IBRION = -1            #-1 is SP, 2 is most reliable, 1 is best when close to the minimum

#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
 SIGMA = 0.01          #Smearing width in eV. 0.03-0.06. 
 PREC = Accurate        #Just use accurate
 ISMEAR = 1             #Type of smearing. Use 0, but if they're metallic better use -5!

#Calculation performance
 #ALGO = Normal        #Damped with hybrid. Leave default for PBE 
 ISTART = 1            #read the wavecar? 0|1|2|3. Default is 1 if WAVECAR exists
 ICHARG = 1            #read CHGCAR? 0|1|2|4. 
 NELM = 600             #Max number of SC steps 
 AMIN = 0.01            #Use default (usually 0.1) for bulk and 0.01 for slabs
 #POTIM = 0.15  		#step width in ionic relaxations
 LVHAR=.TRUE.
 LVACPOTAV=T
 NGX=120  	#NGX =    40 NGY =   48 NGZ =  630
 NGY=144 
 NGZ=3780  
 NGXF=320 	#NGXF=   80 NGYF=  96 NGZF= 1120
 NGYF=384
 NGZF=9520
