SYSTEM = Ag111-PES

PREC=Accurate
ALGO=Fast               #this selects a mixture of algorithms, inlcuding ialgo38
LREAL=Auto       #projection operators

NELM=80                 #number of SCF steps 
NELMIN=3                #minimum SCF steps
NELMDL=-8              #number of steps H is not updated on start

ISTART=0                #start from scratch
INIWAV=1                #fill wave function with random numbers


IBRION=-1 
ISIF=0                 

EDIFF=1.E-5             #global break conidition SC-loop
ENCUT=400             #plain wave cutoff [eV]

LCHARGE = .FALSE.       #do not write charge density dile
LWAVE = .FALSE.         #do write wave function file

NPAR = 2                #recommended for parallelization
LPLANE=.TRUE.          #recommended for parallelization
NSIM=4                  #recommended for parallelization


#Methfessel Paxton smearing 
ISMEAR=1 
SIGMA=0.2 
#vdW-DF2 functional - Lee et al. 
GGA=XC  
LUSE_VDW=.TRUE. 
Zab_vdW=-1.8867 
AGGAC=0.0000 
PARAM1=0.0  
