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ENCUT  = 200
   NWRITE = 2    write-flag & timer
   PREC   = Normal
   ISTART = 0   job   : 0-new  1-cont  2-samecut
   ICHARG = 2    charge: 1-file 2-atom 10-const
   ISPIN  = 2    spin polarized calculation?
   INIWAV = 1    electr: 0-lowe 1-rand  2-diag
   NELM   = 150
   NELMIN = 6; NELMDL= -5     # of ELM steps
   EDIFF  = 1E-03  stopping-criterion for ELM
   VOSKOWN = 1
   NPAR   = 4
   LPLANE = .TRUE.
   NSIM   = 4
   ISIF   = 2
   AMIN   = 0.01
   LELF=.FALSE

   IALGO  = 38    algorithm
   LDIAG  = T    sub-space diagonalisation
   LREAL  = Auto     real-space projection
   ALGO   = Fast

   EDIFFG = -0.02  stopping-criterion for IOM
   NSW    = 600   number of steps for IOM
   IBRION = 2
   POTIM  = 0.5
   ISYM   = 2    0-nonsym 1-usesym 2-use sym efficiently
   MAXMIX = 40
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