SYSTEM=KNbO3

LPLANE=.TRUE.                                   # parallelization
NSIM=4                                          # tune size vector/matrix product
ISYM=2                                          # SYMMMETRY=ON

# NO SAVE
LWAVE=.TRUE.                                   # WAVECAR=OFF
LCHARG=.FALSE.                                  # CHGCAR=OFF

#Precision
PREC=Accurate                                   # avoid wrap around errors
LREAL=AUTO                                   # reciprocal space projection technique
ISMEAR=0                                      
SIGMA=0.01                                    
ALGO  = Fast
ENCUT = 500 

#OPT 
NSW    =  0
#EDIFFG = -0.02
#IBRION =  1
#POTIM = 0.3
#NFREE = 5

IDIPOL = 3
LDIPOL = .TRUE.
DIPOL = 0.416259  0.2846  0.133255
AMIN = 0.01

#DOS
EMIN = -10
EMAX = 10
NEDOS = 2000
LORBIT = 10

#SCF
EDIFF=1E-8                                      # high accuracy required

NCORE = 12

ADDGRID=.TRUE.

#DFT+U
LDAU = .TRUE.
LDAUTYPE=2                                      # Type of LDA+U.
LDAUL=   2   -1  -1   2   -1                              #  interaction is added (Default 2)
LDAUU=  5.8   0   0  2.1   0                       # UEFF parameter. Automatic LDAUU table
LDAUJ=   0    0   0   0    0                         # J parameter (if used). Automatic LDAUJ table

kpoints 1 6 1

POTCAR
#include "Ag/POTCAR"
#include "Br/POTCAR"
#include "K_sv/POTCAR"
#include "Nb_sv/POTCAR"
#include "O/POTCAR"
