# Documentation - Wiki: 
# https://gitlab.fizyka.pw.edu.pl/wtools/wslda/-/wikis/home

# -------------- USER DEFINED PARAMETERS --------------
# See: Wiki -> User defined parameters
# Data flow: [Read params from input file] -> [execute process_params( )] -> [pass params to functions]
params[1] = 0.80 # Thomas-Fermi radius for x direction, in units of LX/2
params[2] = 0.90 # Smoothing parameter x1 for harmonic_oscillator_smooth_edges, in units of L/2
params[3] = 0.97 # Smoothing parameter x2 for harmonic_oscillator_smooth_edges, in units of L/2
params[4] = 0.24 # height of the barrier, in eF units
params[5] = 5.0  # width of barrier, in 1/kF units
params[6] = 0.015# tilt potential  

# ------------------- INITIALIZATION ------------------
# See: Wiki -> Initialization of the solver
inittype                0       #  0 - create uniform solution and start from it,
                                # 10 - read uniform solution from file `inprefix`/uniform.solution
                                #  
                                #  5 - start from st-wslda checkpoint, inprefix points to folder with checkpoint binary file
                                #  
                                # -1 - custom initialization, see wiki pages: Initialization of the st wslda solvers

# ------------------- INPUT/OUTPUT ------------------
outprefix               jj-r1   # all output files will start with this prefix
inprefix                none    # prefix of calculation you need to use as input (when inittype!=0) 
overwrite               1       # allow for overwriting results
checkpoint              1       # do checkpoints after each iteration
resetit                 1       # reset iterations counter (it): yes=1, no=0
                                # Hint: use resetit=1 if you want to start a new calculation from the existing checkpoint
                                # or resetit=0 if you want to continue the existing calculation.
writewf                 1       # write wf at the end of computation: yes=1, no=0
                                # Hint: use writewf=1 if you plan to evolve in time the derived static solution.
# writeecut               10.0  # only states with |E_n/eF|<writeecut will be written, default writeecut=INFINITY
iogroups                8       # number of IO groups used for parallel wf writing, default=1

# list of variables for writing
# all = rho delta j nu tau V V_ext delta_ext velocity_ext alpha A
# default = rho delta j
writevar           rho delta j V_ext
writeprec          d            # precision for data writing: d-double(default), f-float.

# ----------------- PARTICLE NUMBERS -----------------
Na                      500.     # Requested number of particles a-type
Nb                      500.     # Requested number of particles b-type

# ----------------- SCATTERING LENGTH -----------------
sclgth    -10000.0              # scattering length in units of lattice spacing
                                # meaningful only for FUNCTIONAL=BDG,SLDAE
                                # in case of FUNCTIONAL=(A)SLDA it is set automatically to infinity
#akF       -1.0                 # scattering length times Fermi wave vector
                                # this tag modifies the value of tag sclgth via process_params(...) function
                                # by default is inactive (akF=0)
referencekF 1.0                 # in this case, I can define the value of kF=1

# ----------------- SELF-CONSISTENT LOOP -----------------
# ec                      4.9348022 # energy cut-off for regularization scheme, default ec = 0.5*( pi/max(DX,DY,DZ) )^2
energyconveps           1.0e-6   # energy convergence epsilon, default=1.0e-6
npartconveps            1.0e+6   # large number means that this condition will always be satisfied
# npartconveps_a          1.0e-6   # or you can control npartconveps for each component separately using tags with `a` ...
# npartconveps_b          1.0e-6   # ... and `b` suffixes. 
linearmixing            0.5      # mixing parameter for linear mixing scheme, default=0.5
                                 # Limiting cases: 0.0=self-consistency is disabled, 
                                 #                 1.0=fixed point iterations (solution from present iteration becomes input for next)
muchange                0.0      # do not change chemical potential, so computation will be for fixed chemical potential
# muchange_a              0.5      # or you can control muchange for each component separately using tags with `a` ...
# muchange_b              0.5      # ... and `b` suffixes. 
mumaxchange             0.05     # maximal amount that chemical potential can change between iterations, in units of Fermi energy
# mumaxchange_a           0.05     # or you can control mumaxchange for each component separately using tags with `a` ...
# mumaxchange_b           0.05     # ... and `b` suffixes. 
maxiters                200     # maximum number of iterations, default=10000
# temperature             0.1      # requested temperature in units of eF, default T=0
spinsymmetry            1       # to impose Na=Nb
# killcurrents              0        # set to 1 if you want to impose by hand ja=jb=0 (solution has no currents), default=0
nomixstart              0        # do not execute mixing for the first iteration
                                 # use this option if you expect that memory buffers representing previous iterations 
                                 # are not completely filled. It typically happens if automatic interpolation is used. 
                                 # For more details see: Wiki -> Convergence control -> Disabling mixing in the first iteration
# mixingtype              p        # 'd' - mix densities, 'p' - mix potentials (default)

# ----------------- Broyden algorithm ----------------------
# See: Wiki -> Broyden algorithm
broyden                 1        # activate broyden mixing: 0-no, 1-yes, default=0 (linear mixing)
broydenmixing           0.75     # mixing parameter (alpha) for Broyden mixing, default=0.75
Mbroyden                5        # number of previous iterations used by Broyden, default=5 

#startbroyden            5        # iteration number (it) for which Broyden should be activated,
                                 # for it<startbroyden algorithm proceeds with linear mixing 
                                 # and used linearmixing value for mixing
                                 # NOTE: for it in [startbroyden, startbroyden+Mbroyden] the algorithm
                                 #       still continue with linear mixing, and it stores only data
                                 # Broyden starts to operate for iteration it = startbroyden+Mbroyden+1
                                 # and used broydenmixing value for mixing
                                 # default=0
#stopbroyden             100      # Broyden is deactivated for iteration it=stopbroyden
                                 # starting from iteration it = stopbroyden+1 the algorithm again proceeds
                                 # with linear mixing and used linearmixing value for mixing
                                 # default=999999
#broydenautores          1        # automatic restarts of Broyden algorithm: 0-no, 1-yes (default)
#broydenEmaxchg          0.1      # if the total energy between iterations changes by more than broydenEmaxchg 
                                 # then Broyden is restarted, (default=0.1)
#broydenEdelay           5        # scan energy changes only after broydenEdelay with Broyden has been executed 
                                 # typically, just after starting the Broyden energy fluctuations are observed 
                                 # which should decay within a few iterations (default=5)
# Recommendation: Use  startbroyden and stopbroyden only if Broyden fails to converge. 
#                 According to our experience, there are cases (physical problems)
#                 where activating Broyden only for some number of iterations provides the best performance 

# -------------- PARALLELIZATION SETTINGS --------------
# NOTE: all matrices are processed collectively by p*q processes
# The following condition must be satisfied:
#   for 3D code: p*q=np
#   for 2D code: np/(p*q)=i where i is INTEGER number smaller or equal than NZ/2
#   for 1D code: np/(p*q)=i where i is INTEGER number smaller or equal than NY/2 x NZ/2
# where np is the total number of processes utilized for computation
# If p i q is not provided (commented out) code will attempt to set them automatically,
#    in some cases this procedure fails.
# p                       2
# q                       2

# data block size 
# if you are not familiar with block-cyclic distribution value from the set {16,32,64} is recommended
mb                      32
nb                      32

# ----------- IN CASE OF: inittype=0 ----------------
# See: Wiki -> Initialization of the solver
# init0Na                 28.0   # requested number of particles of type a, default=Na
# init0Nb                 28.0   # requested number of particles of type b, default=Nb
init0na                 0.01689   # required density for component a
init0nb                 0.01689   # and component b, so corresponding kF=1
init0muchange           0.5    # change rate of chemical potentials, default muchange
# init0Tstart             0.1    # # start temperature, in units of eF, default value is equal to init0Tstop
# init0Tstop              0.01   # Temperature, in units of eF, default=temperature 
# init0DeltaT             0.01   # change of temperature in units of eF, default 0.01
init0eps                1.0e-9 # epsilon for convergence, default 1.0e-9
init0scmix              0.5    # mixing parameter in self-consistent process, default=linearmixing
# init0kc                 3.1415 # momentum cut-off used for uniform solver, default=pi/max(DX,DY,DZ)
init0maxiter            1000   # maximum number of iterations, default=maxiters
# init0debug              1      # debug level, default=0 (no debug info), 1 (basic debug info), 2 (detailed debug info)
# init0save               1      # 0 - no saving of solution to file, 1 - save solution to the file