general: 
  ISTART =   0     # 0: new, 2: read WC
  ICHARG =   2     # 0: WC , 1: CHGCAR, 2: new
  GGA    =   PE    # PE: PBE
  ISPIN  =   1     # MAGMOM = 2*2.0
                
electronic steps:
  ENCUT  = 400  
  EDIFF  =   1E-4
  ISMEAR =   1 
  SIGMA  =   0.2 
  ALGO   =   VERY FAST  
  LREAL  =   Auto  # Normally : Auto
  NELM   =  40     # 40
  NELMIN =   5     #  2
  NELMDL =  -7     # -5
  AMIX   =   0.10  # 
  BMIX   =   3.00  # 
  AMIN   =   0.01  # 

MD parameters:       
  IBRION =   0     # 
  POTIM  =   1 # [Ų/eV] IBRION=3 & C-H-O: 0.017
  EDIFFG =  -0.030 # [eV/Å ] relaxation: -0.015; neb: -0.050
  NSW    = 10000     #
  
  MDALGO = 2
  SMASS = 0
  TEBEG = 300
  TEEND = 300
  LBLUEOUT = True

  ISYM = 0
                     
dipole correction:
  LDIPOL =   T
  IDIPOL =   3   
                             
files to write:                                        
  LWAVE  =   F     # WAVECAR
  LCHARG =   F     # CHG / CHGCAR
  NWRITE =   0
                 
parallelization:
  KPAR   =   1 ; NPAR   =  4 ; NSIM   = 10 ;
                             
van der Waals:                                              
  LVDW   =   T                                              
  VDW_VERSION= 2 ; VDW_RADIUS = 40 ; VDW_SCALING = 0.75     
# Parameters:  Ag     O     H     Li     C  
  VDW_C6 =    5.481 0.700 0.140 1.610 1.750
  VDW_R0 =    1.819 1.342 1.001 0.825 1.452
# Changing H mass using POMASS
 POMASS = 107.8682 15.999 2 6.94 12.011