SYSTEM = Cu(111) equilibration 550 K 

#Run parameters

 ISTART     = 0
 ICHARG     = 2
 ISYM       = 0
 ISPIN      = 1              ! Not Spin-Polarized
 LWAVE      =.FALSE.
 LCHARG     =.FALSE.
 PREC       = Accurate
 ALGO       = F
 ISMEAR     = 1
 SIGMA      = 0.2
 SMASS      =-3              ! microcanonical ensamble

 NELM       = 40
 NELMIN     = 4
 NELMDL     =-12
 
 IBRION     = 0              ! AIMD
 POTIM      = 1.0            ! time step [ fs ]
 NSW        = 1000

 ENCUT      = 350
 EDIFF      = 3e-05          ! SCF treshold [ eV ]
 
#Functional

 GGA       = RP              ! Use the modified [ X RP + (1-X) PB ] exchange
 LUSE_VDW  =.TRUE.           ! Use the vdW correlation
 AGGAC     = 0.0000          ! Don't use the std GGA correlation 

 NPAR = 2
 KPAR = 1
 NSIM = 4