vmc-plus-plus/input.parm at master · amedhi/vmc-plus-plus · GitHub

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#----------------------------------------------------------------------
#                       ~~~My program~~~
#                       Input Parameters
#-----------------------------------------------------------------------
#---------------------------------------------
# Job Specification
#---------------------------------------------
job = "VMC Simulation"
optimizing_run = "NO"
mode = "NEW" # ("NEW"/"APPEND")
print_level = -2 #-2

#---------------------------------------------
# Lattice:
#---------------------------------------------
lattice = "SQUARE"
lsize1 = 8
lsize2 = 8
bc1 = "periodic"
bc2 = "antiperiodic"

#---------------------------------------------
# Model:
#---------------------------------------------
#model = "tJ"
model = "HUBBARD"
t = 1.0
#J = 0.35
U = 8.0

#---------------------------------------------
# Variational wavefunction
#---------------------------------------------
mf_order = "DWAVE_SC"
wavefunction = "DWAVE_SC"
gutzwiller_proj = "YES"
hole_doping = 0.16
gfactor = 0.5 # 0.1, 0.1, 1.0  # 0.3037000
delta_sc = 0.5 # 0.080 #0.01, 0.05, 0.30 #0.080
mu = -0.89 # -0.4263000
mu_variational = "YES"

#---------------------------------------------
# List of observable to calculate:
#---------------------------------------------
Energy = "Yes"
EnergyGradient = "YES"
Magnetization = "No"

#---------------------------------------------
# Monte Carlo parameters
#---------------------------------------------
rng_seed = 1  # (=0 No seed, >0 time_seed)
measure_steps = 1000
warmup_steps = 1000
min_interval = 2
max_interval = 20

#---------------------------------------------
# Optimization parameters
#---------------------------------------------
num_opt_samples = 10
sr_max_iter = 500
sr_start_tstep = 0.08
sr_series_len = 50
sr_fluctuation_tol = 0.35