#General
 SYSTEM = Cu-TPM
 ISTART = 0
 ICHARG = 1
 GGA = PE

#Spin
# ISPIN = 2
# MAGMOM =7*0.01 1*2.0 629*0.01 2*2.0 5*0.01
# LORBIT = 11
# NUPDOWN = 1

#Symmetry
# ISYM = 0

#Electronic Steps
 ISMEAR = 0
 SIGMA = 0.03
 ENCUT = 450
 EDIFF = 1E-6
 NELM = 150
 ALGO = Fast
 LREAL = Auto 

#Ionic (Geometry) Opt
 IBRION = 5 #freq
# ISIF = 2 
 NSW = 1
 POTIM = 0.015
# EDIFFG = -0.050
 NFREE = 2

#Dipole Correction
# LDIPOL = .TRUE.
# IDIPOL = 3

#Output
 LWAVE = .FALSE.
 LCHARG = .FALSE.

LDAU  = .TRUE.
LASPH = .TRUE.

LDAUL = 3 -1 -1 -1 -1 -1
LDAUU = 5.5 0.0 0.0 0.0 0.0 0.0
LDAUJ = 1.0 0.0 0.0 0.0 0.0 0.0



#van der Waals
 LVDW = .TRUE. 
 VDW_VERSION = 12

#Parallelization
# NPAR = 6
# NSIM = 415
# NBANDS = 1660