 SYSTEM =  Pd: 32atoms

 Startparameter for this Run:
   NWRITE =      1;   LPETIM=F    write-flag & timer
   ISTART =      0    job   : 0-new  1-cont  2-samecut
   ICHARG =      2    charge: 1-file 2-atom- 10-const
   INIWAV =      1    electr: 0-lowe 1-rand

 Electronic Relaxation 1
   NELM   =    100;  NELMIN = 4
#  EDIFF  =   1E-07   stopping-criterion for ELM
   EDIFF  =   1E-05   stopping-criterion for ELM
   BMIX   =  2.00
#  PREC   =  High
#  PREC   =  Accurate
   PREC   =  Normal
#  SYMPREC = 1E-8
#  ENCUT  = 200.0
   ENCUT  = 300.0
#  ENCUT  = 400.0

 Ionic Relaxation
   NSW    =    100    number of steps for IOM
   NBLOCK =      1;   KBLOCK =      10    inner block; outer block
   IBRION =      1    ionic relax: 0-MD 1-quasi-New 2-CG
   EDIFFG =      -0.010
#  EDIFFG =      -0.003
   ISIF   =      3    stress and relaxation
   ISYM   =      0
   IWAVPR =      1    prediction:  0-non 1-charg 2-wave 3-comb
   LCORR  =      T    Harris-correction to forces

 DOS related values:
# for structural relaxation (and phonon freq.)
#  ISMEAR =      1;   SIGMA  =    .20  broadening in eV -4-tet -1-fermi 0-gaus
# for calc. of total energy and DOS
   ISMEAR =     -5;   SIGMA  =    .20  broadening in eV -4-tet -1-fermi 0-gaus

 Electronic Relaxation 2
   IALGO   =     38    algorithm
   LDIAG   =      T    sub-space diagonalisation
   LREAL   =      A    real-space projection
#  LREAL   =      F    real-space projection
   ADDGRID =      T
   LWAVE   =      F
   LCHARG  =      F

# for parallel settings
   NPAR   =      5
