
#-------------------#
# CASINO input file #
#-------------------#

# symetric electron hole bilayer : Ferromagnetic fluid phase i.e. neu and nhu

# SYSTEM
neu               : 0              #*! Number of up electrons (Integer)
ned               : 0              #*! Number of down electrons (Integer)
periodic          : T              #*! Periodic boundary conditions (Boolean)
atom_basis_type   : none           #*! Basis set type (Text)
psi_s             : slater         #*! Type of [anti]symmetrizing wfn (Text)
complex_wf        : F              #*! Wave function real or complex (Boolean)
%block particles
1 -1.0 1.0 0.5 Spin-up electron
2  1.0 1.0 0.5 Spin-up hole
%endblock particles
%block free_particles
dimensionality 2
r_s 1.0
cell_geometry
1 0
0.5 0.86602540378443864676
z-separation 5.0
top-layer 2
particle 1 det 1 : 61 orbitals free
particle 2 det 1 : 61 orbitals free
%endblock free_particles

# RUN
runtype           : vmc_opt            #*! Type of calculation (Text)
newrun            : T              #*! New run or continue old (Boolean)
testrun           : F              #*! Test run flag (Boolean)
block_time        : 0.0 s          #*! VMC/DMC block time (Physical)

# VMC
vmc_equil_nstep   : 10000           #*! Number of equilibration steps (Integer)
vmc_nstep         : 100000           #*! Number of steps (Integer)
vmc_nblock        : 1              #*! Number of checkpoints (Integer)
vmc_nconfig_write : 20000              #*! Number of configs to write (Integer)
dtvmc		  : 0.01

# DMC
dmc_equil_nstep   : 2000           #*! Number of steps (Integer)
dmc_equil_nblock  : 1              #*! Number of checkpoints (Integer)
dmc_stats_nstep   : 1000          #*! Number of steps (Integer)
dmc_stats_nblock  : 1              #*! Number of checkpoints (Integer)
dmc_target_weight : 1000.d0        #*! Total target weight in DMC (Real)
dtdmc             : 0.003          #*! DMC time step (Real)
use_tmove         : F              #*! Casula nl pp for DMC (Boolean)

# RMC

# OPTIMIZATION
opt_method        : madmin         #*! Opt method (varmin/madmin/emin/...)
opt_cycles        : 100              #*! Number of optimization cycles (Integer)
opt_jastrow       : T              #*! Optimize Jastrow factor (Boolean)
opt_det_coeff     : F              #*! Optimize determinant coeffs (Boolean)
opt_backflow      : F              #*! Optimize backflow parameters (Boolean)
opt_orbitals      : F              #*! Optimize orbital parameters (Boolean)
opt_maxiter       : 1

# GENERAL PARAMETERS
use_jastrow       : T              #*! Use a Jastrow function (Boolean)
backflow          : F              #*! Use backflow corrections (Boolean)
expot             : F              #*! Use external potential (Boolean)
timing_info       : F              #*! Activate subroutine timers (Boolean)
esupercell        : F              #*! Energy/supercell in output (Boolean)
neighprint        : 0              #*! Neighbour analysis (Integer)
mpc_cutoff        : 30.d0 hartree  #*! G vector cutoff for MPC (Physical)
interaction       : ewald          #*! Interaction type (Text)
finite_size_corr  : F              #*! Eval. finite size correction (Boolean)
forces            : F              #*! Evaluate forces on atoms (Boolean)
checkpoint        : 1              #*! Checkpoint level (Integer)
