! ####### GLOBAL PARAMETERS #######
N_CORES = 15

RUN = 1
LOG_DEBUG = True

THEO_ENERGIES =  100 403 3
LAYER_CUTS = 0.29 0.36 0.46 0.54 

! ####### PARAMETERS FOR INTERPRETING THE POSCAR #######

N_BULK_LAYERS = 1
BULK_REPEAT = abc[-0.066666667  -0.033333333   -0.08333333]

SITE_DEF Te = 4f 1-30, 3f 31-36, 3h 37-42, 1h 43-49 
SITE_DEF Pt = sub 50-115, surf 116-215

SUPERLATTICE = (10x10)

! ####### PARAMETERS FOR REFCALC #######

V0_IMAG = 5.8

LMAX = 8-11

ATTENUATION_EPS = 0.005

!FORTRAN_COMP = 'ifort -O2 -I/opt/intel/mkl/include -mcmodel=medium'
!FORTRAN_COMP post = '-L/opt/intel/mkl/lib/intel64 -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core -liomp5 -lpthread -lm -ldl'
!FORTRAN_COMP mpi = 'mpiifort -O2 -I/opt/intel/mkl/include -mcmodel=medium'


SEARCH_START = centered
SEARCH_CONVERGENCE gaussian = 0.0005 0.5
SEARCH_CONVERGENCE dgen dec = 100 1.5


!TENSOR_OUTPUT = FALSE
!TENSOR_INDEX = 15

!SUPPRESS_EXECUTION = True 
!Stop = True

! ####### PARAMETERS FOR R-factor Calculations #######

IV_SHIFT_RANGE = 0 2 
R_FACTOR_SMOOTH = 8
PLOT_IV colors = blue red
PLOT_IV overline = True
PLOT_IV layout = 4 12

ZIP_COMPRESSION_LEVEL = 7
