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

electronic steps:
  ENCUT  =   450     # [eV] normal:450; soft:285; hard:800
  EDIFF  =   1E-6  # [eV]
  ISMEAR =   0
  SIGMA  =   0.05  # [eV]
  ALGO   =   Normal
  LREAL  =   Auto
  NELM   =  50     #                 
  NELMIN =   5     #                 
  NELMDL =  -9     #                 

ionic steps:       
  IBRION =   2     #  
  POTIM  =   0.1   # [Ų/eV] IBRION=3 & C-H-O: 0.017
  EDIFFG =  -0.015 # [eV/Å ] relaxation: -0.015; neb: -0.050
  NSW    =   300   # 
# ISIF   =   2     # 
                     
dipole correction:  
#  LDIPOL =   .TRUE.      
#  IDIPOL =   3
files to write:                                        
  LWAVE  =   F     # WAVECAR 
  LCHARG =   T     # CHG / CHGCAR 
  NWRITE =   0     # Default verbosity for mgcm  
  LAECHG =   F     # Bader analysis 
# LORBIT =   11    # PDOS 
# NEDOS  =   3001  # PDOS refinement 
                               
parallelization:   #                             
# NPAR =  4 ; NSIM =  4 ; NBANDS = 16 #

van der Waals:                                           
  IVDW   =   11

U-correction:
# LDAU = .TRUE.
# LDAUTYPE = 2 #Dudarev et al.
# LASPH = .TRUE.
# LDAUL = -1 -1 
# LDAUU =  0.0 0.0 
# LDAUJ =  0.0 0.0