template.job

# Copyright (c) 2013, Robert Rueger <rueger@itp.uni-frankfurt.de>
#
# This file is part of hVMC.
#
# hVMC is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# hVMC is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with hVMC.  If not, see <http://www.gnu.org/licenses/>.


[phys] ##################### PHYSICAL PARAMETERS ###############################

# nearest-neighbor hopping matrix element t
nn-hopping = 1.0

# 2nd nearest-neighbor hopping matrix element t'
2nd-nn-hopping = 0.0

# 3rd nearest-neighbor hopping matrix element t''
3rd-nn-hopping = 0.0

# on-site energy U
onsite-energy = 4.0

# lattice type (1dchain, 2dsquare, 2dsquare2layer)
lattice = 2dsquare

# number of lattice sites
num-lattice-sites = 36

# total number of electrons
num-electrons = 36

# symmetry of the pairing term (swave, dwave, dwave_twisted)
pairing-symmetry = dwave

# file to load the variational parameters from
#vpar-file =

# variational parameter overwrite
# vpar-ovwrt-t2 =
# vpar-ovwrt-t3 =
# vpar-ovwrt-D0 =
# vpar-ovwrt-D1 = 0.01
# vpar-ovwrt-D2 =
# vpar-ovwrt-D3 =
# vpar-ovwrt-mu = 0.0
# vpar-ovwrt-mu-m = 0.01
# vpar-ovwrt-J0 =


[calc] ###################### CALCULATION SETTINGS #############################

# simulation mode (optimization, simulation, analysis)
mode = opt

# [opt+sim+ana]: input/output directory"
working-dir = ./example/

# [sim]: measured observables
# available observables: E, Dk, DkDkp, DkE, dblocc, nncorr
# (uncomment to activate)
observable = E
#observable = Dk
#observable = DkDkp
#observable = DkE
observable = dblocc
observable = nncorr
observable = sscorr
observable = pconfs

# [ana]: selected analysis modules
# available modules: ssfac
# (uncomment to activate)
analysis = ssfac

# [opt+sim]: maximum hopping distance for electronic configuration updates
update-hop-maxdistance = 3

# [opt+sim]: number of Monte Carlo steps for equilibration
num-mcs-equil = 1000

# [opt+sim]: number of measurement bins
num-bins = 100

# [opt+sim]: number of Monte Carlo steps per bin
num-binmcs = 100

# [opt+sim]: random number generator seed
#rng-seed = 1337133789

# [opt]: which variational parameters to optimize
# BITFIELD!
# t' += 1
# t" += 2
# Delta_onsite += 4
# Delta += 8
# Delta' += 16
# Delta" += 32
# mu += 64
# mu_m += 128
# Jastrow += 256
optimizers = 392

# [opt]: controls the SR convergence: vpar += dt * dvpar
sr-dt = 1.0

# [opt]: factor to boost the convergence speed of the Jastrow
sr-dt-Jboost = 5

# [opt]: Mann-Kendall threshold for convergence detection
sr-mkthreshold = 0.45

# [opt]: number of refinements during the SR cycle
sr-max-refinements = 0

# [opt]: number of SR cycles to average the converged variational parameters
sr-averaging-cycles = 50

# [opt]: variational parameters that have a fixed minimum absolute value
# BITFIELD!
# t' += 1
# t" += 2
# Delta_onsite += 4
# Delta += 8
# Delta' += 16
# Delta" += 32
# mu += 64
# mu_m += 128
vpar-minabs-select = 8

# [opt]: fixed minimum absolute value for the selected parameters
vpar-minabs-value = 0.001


[fpctrl] #################  FLOATING POINT PRECISION CONTROL ###################

# deviation target for the matrix W
# W-deviation-target = 0.001

# number of quick updates until recalculation of the matrix W
# W-updates-until-recalc = 500

# deviation target for the vector T
# T-deviation-target = 0.001

# number of quick updates until recalculation of the vector T
# T-updates-until-recalc = 500000