PREC = Normal    ! standard precision 
 ENMAX = 450      ! cutoff should be set manually
 ISMEAR = 0  
 SIGMA = 0.01
 IBRION = 2       ! use DIIS algorithm to converge, it was =1
 NFREE = 2        ! 2 independent degrees of freedom
 NSW = 100         ! 10 ionic steps
 EDIFFG = -0.02   ! forces smaller 0.02 A/eV
 EDIFF = 1E-05 
 POTIM = 0.1      ! look for it


#VDW parameters:
LVDW   =   T
VDW_VERSION= 2
VDW_RADIUS = 40
VDW_SCALING = 0.75
VDW_C6 = 0.14 
VDW_R0 = 1.001