general:
 SYSTEM = Cu-fcc_rel
 ISTART =   0     # 0: new, 2: read WC
 ICHARG =   2     # 0: WC , 1: CHGCAR, 2: new
 GGA    =   PE    # PE: PBE
 ISPIN  =   2 

electronic steps:
 ENCUT  =   450
 EDIFF  =   1E-3  
 ISMEAR =   0 
 SIGMA  =   0.10
 ALGO   =   Fast  
 LREAL  =   Auto
 NELM   =  60 
 NELMIN =   5 
 NELMDL =  -7     

ionic steps:
 IBRION =   3 
 NSW    = 500 
 EDIFFG =  -0.03  # [eV/Å ] 
 POTIM  =   0.019 # [Ų/eV] 
 
files to write:
 LWAVE  =   F 
 LCHARG =   F 
#NWRITE =   0 
 LORBIT =  11 

dipole correction:
 LDIPOL =   T      
 IDIPOL =   3 

parallelization: 
 KPAR   =   4  

van der Waals:                                            
  LVDW   =   T                                            
  VDW_VERSION= 2 ; VDW_RADIUS = 40 ; VDW_SCALING = 0.75   
# Parameters:  Cu    Cl   O  
  VDW_C6 =    2.740 5.070 0.700
  VDW_R0 =    1.562 1.639 1.342