 SYSTEM = Mg-Perovskite
   NPAR = 4
 
 Startparameter for this Run:
   NWRITE =      2;   LPETIM=F    write-flag & timer
   ISTART =      0    job   : 0-new  1-cont  2-samecut
 
 Electronic Relaxation 1
   ENMAX  =  600.00 EV
   EDIFF  =   1E-04   stopping-criterion for ELM
   EDIFFG =   1E-03
 
 Ionic Relaxation
   NSW    =      15    number of steps for IOM
   IBRION =      2    ionic relax: 0-MD 1-quasi-New 2-CG
   ISIF   =      3    stress and relaxation
   PSTRESS = 0   # in kBar
   ISYM   =      1
   IWAVPR =      1    prediction:  0-non 1-charg 2-wave 3-comb
 
   POTIM  =   0.5     time-step for ion-motion [fs]
 
 DOS related values:
   ISMEAR =    -5;   SIGMA  =    .1  broadening in eV -4-tet -1-fermi 0-gaus
 
 Electronic Relaxation 2
   IALGO  =     38    algorithm
   LDIAG  =      T    sub-space diagonalisation
   LREAL  =      F 
   PREC   =      high
