! ####### GLOBAL PARAMETERS #######
RUN = 0

# Sporn paper says they only calculate up to 400eV!
THEO_ENERGIES = 40 400 3

BACKEND search = viperleed-jax
VLJ_ALGO = CMAES

LMAX = 8

IV_SHIFT_RANGE = -6 6 0.5
BEAM_INCIDENCE = theta 0.0, phi 0.0

LOG_DEBUG = True

N_CORES = 64
ELEMENT_MIX Me = Rh Pt

# value used by Sporn
V0_IMAG = 6.5

# FD optimization
# OPTIMIZE ab = step 0.005, convergence 0.001
# OPTIMIZE c = step 0.005, convergence 0.001

! ####### PARAMETERS FOR INTERPRETING POSCAR #######
! BULK_LIKE_BELOW = 0.45            ! line commented out automatically

SITE_DEF O = surf 1 2
SITE_DEF Me = layer_1 3-5, layer_2_upper 7, layer_2_lower 6 8, layer_3 9-11, layer_4 12-14

! ######################################################

BULK_REPEAT = [1.35000 1.35000 1.90919] ! Automatically detected repeat vector
LAYER_CUTS = 0.3500 0.4500 0.5500 0.6500 0.7500
N_BULK_LAYERS = 1
