SYSTEM=Cu111-ads-mu-high
ENCUT=450
PREC=Accurate
EDIFF=1E-6
NELECT=89
NBANDS=64
ISPIN=1
ISMEAR=0
SIGMA=0.05
ALGO=Normal
NELM=180
IBRION=3
NSW=80
ISYM=0
LREAL=.FALSE.
LASPH=.TRUE.
LWAVE=.TRUE.
LCHARG=.FALSE.
LVHAR=.TRUE.
LSOL=.TRUE.
LSOL_SCF=.TRUE.
ISOL=2
C_MOLAR=1
R_ION=4
EFERMI_ref=-4.1441
EFERMI_tol=0.0001
capacitance_init=0.45
SMASS=2
EDIFFG=-0.02
ISIF=2
POTIM=0.1
ISTART=1
ICHARG=0
