Basic input file FT05.DAT

This is the basic input file to the program.

Basic data

Atomic data

The input data depend on the first input character CH

Other data

Basic data:

LSPHER
T - for a spherically symmetric model
F - for a plane parallel model
LSTAT
T - for a static model (the only option available now)
F - for an expanding model (this option has not been implemented yet)

XLUM
stellar luminosity in solar units
RADIUS
stellar radius in solar units
XMSTAR
stellar mass in solar units
MODCAL
mode of calculation:
0 - model atmosphere calculation (calculation of temperature, density, population numbers, and atmospheric extension as a function of column mass depth)
1 - solution of the NLTE problem (solution of ESE + RTE) for a trace element for a given model atmosphere
2 - line profile calculation for a given model atmosphere and population numbers
3 - simple solution of the equations of statistical equilibrium
LRTSOL
T - radiative transfer equation is solved (use this option only)
F - radiative transfer equation is not solved (this option is useful only for special purposes, do not use it unless you know what are you doing)
VSINI
rotation velocity in cm/s, used only for MODCAL=2 (line profile calculation) and LSPHER=T (spherically symmetric atmosphere), for other values it has no effect

LTE
T - calculation of the LTE model
F - calculation of the NLTE model
LLINES
T - model atmosphere with all lines considered
F - model atmosphere with lines in detailed radiative balance

NITER
maximum number of iterations
CHANM
maximum relative change (overall iteration cycle)
LCHANW
T - departure coefficients are not included into evaluation of relative changes
F - all variables are included into evaluation of relative changes

Atomic data:

Each line in this block begins with a character CH. Data set for each atom begins with the line 'A', then it is followed by one or more 'I' lines for each ion of the atom. Data for each ion are followed by data for individual energy levels of the ion. After the basic information about the structure of the atom (lines 'A', 'I', and 'L') is read, data for all transitions ('T') follow. Similar sets of data ('A', 'I', 'L' ... 'L','I','L' ... 'L','I','L', ... 'L','T' ... 'T') are given for each atom. The atomic data set is terminated by the line 'K'. The special line 'F' means that next data are read from the file NAZEV. When program finds the end of the file NAZEV, it returns to this file (FT05.DAT).
CH
'F' - input of the file name that contains atomic data
'A' - input of atom data
'I' - input of ion data
'L' - level data
'T' - transition data
'K' - end of atomic data

NAZEV
name of the file that contains the atomic data (a good suggestion is to use one atomic input file for each element)

NATNUM
atomic number (1 for hydrogen, 2 for helium, 26 for iron, ...)
ABN
abundance relative to hydrogen; for ABN=0 the solar value from subroutine INPATO is used
LATREF
T - for a reference atom (atom, for which the particle or charge conservation equation is used as a closing equation in ESE), exactly one atom must be selected
F - else, then the abundance equation (relative to the reference atom) is used as the closing equation in ESE
LATBG0
T - background atom, ESE is not solved for this atom, but the opacities are calculated
F - standard atom (default)
LPFOCC
T - the partition function is calculated using the occupation probability formalism of Hummer & Mihalas (1988), if available
F - the partition function is calculated using the tables of Traving et al. (1966)

EIONI
ionization energy in CGS units
ICHZ
ionic charge (1 for neutrals, 2 for ions,...)
LIOBG0
T - background ion, ESE is not solved for this ion; if LATBG0=T for the corresponding atom, the program sets LIOBG0=T
F - standard ion (default)

ILI
index of the level; this index is only within one atom (i.e. every atom may have level number 1) to describe transitions, the overall indexing of levels is done automatically by program
NQUANT
principal quantum number of the level ILI
ELEVI
ionization energy of the level ILI (in CGS units); for ELEVI=0 a hydrogenic value is used
G
statistical weight of the level ILI (generally REAL to allow "averaged" levels)
IMERGE
merged level switch (not implemented yet)
=0 - level is not a merged level
>0 - merged level
TYPLEV
type of the level ILI, a CHARACTER*24 variable
ILMOD
=0 - NLTE level, b-factors are allowed to change every iteration (default, standard value)
=1 - NLTE level, b-factors are fixed
=2 - LTE level, b-factors are fixed to 1

IRR
=0 - transition is assumed to be in detailed radiative balance (radiative rates are set to 0)
=1 - transition is treated exactly
=2 - transition is considered with the help of the collisional-radiative switching technique (Hummer & Voels 1988)
II
index of the lower level (corresponding to ILI)
JJ
index of the upper level (corresponding to ILI)
OSC0
oscillator strength (only for lines), for OSC0=0 the hydrogenic value is set; OSC0 is stored into arrays OSCC (all transitions including those in detailed radiative balance) and OSC (explicit transitions)
NFL
then stored into NFLINE;
IFRSPC
switch for distance between the frequency points in a line
=0 - equidistant frequency points
=1 - power-law frequency points (distance between successive points is doubled; not suitable for lines with too many frequency points)
=2 - special setting of frequency points (the half-line is divided to three parts; spacing in the second part is twice that in the first part, spacing in the third part is twice the spacing in the second part, the first part is near the line center)
ILIBOU
switch for the determination of the line boundary (testing!), for lines only
=0 - automatic determination of the line boundary (driven by PRFLIM or PRFLIN)
=1 - distance of the line boundary from the line center is given in Doppler halfwidths
=2 - distance of the line boundary from the line center is given in frequency interval (in Hz)
=3 - distance of the line boundary from the line center is given in wavelength interval (in Angstroms)
DELBOU
distance from the line center to line boundary in units defined by ILIBOU
PRFLIN
the lower limit for a line profile (for this value the line ends - if set to zero, the value of PRFLIM is taken as default)
For most lines it is sufficient to use the value PRFLIM, however, for extremely strong lines (like Lyman lines in A stars) it is useful to set the limit to much lower values. Has no effect for Stark profiles.
IPROF
line profile switch
LDEPTH
T - depth dependent line profile
F - depth independent line profile
depth dependent line profile is more accurate, however, for lines with few frequency points it is numerically more stable to use depth independent line profile
ICOL
collision rate switch:
CPAR
additional collisional parameter
GAMRAD
line damping parameter (Γ)

Other data:

MODFRE
=0 - frequency points and weights are set by a program (standard, the only possibility now)

FRFIRS
the lowest frequency point (s-1)
FRLAST
the highest frequency point (s-1)
DLFMAX
minimum distance between frequency points (in log frequency)
DELION
relative separation of frequency points at the continuum edge (default value: 10-12)
PRFLIM
the lower limit for a line profile (for this value the line ends - the best value seems to be 10-9 - default)

ITRAN
mode of calculation of differences in radiative transfer equation
=0 - ordinary 2nd order differences (Mihalas 1985)
=1 - splines (Auer 1976)
=2 - Hermite differences (Auer 1976)
=3 - 2nd order after Rybicki & Hummer (1991)
NVEF
number of variable Eddington factors (VEF) iterations
CHVEFM
maximum VEF iteration change
NGFOR
total number of Newton-Raphson iterations of b-factors
CHGBFM
maximum Newton-Raphson relative change of b-factors
IBCUP
upper boundary condition mode (standard - default)
=0 - no incident flux
=1 - incident blackbody flux for given temperature and weakening factor
=2 - incident flux read from the input file RTEUBC.DAT
IBCLOW
lower boundary condition mode
=0 - diffusion approximation at the lower boundary (standard - default)
=1 - incident blackbody flux for given temperature and weakening factor
=2 - incident flux read from the input file RTELBC.DAT
LRTE00
stops in RTE for negative intensities

IGRAY
input of the model atmosphere
<0 - only grey model is calculated, no model input
=0 - starting model is the grey model, no model input
=1 - model atmosphere is read from file FMODIN
=2 - input of the Kiel model atmosphere - (read from the file FMODIN)
=3 - input of the Kurucz (1993) model atmosphere - (read from the file FMODIN)
=4 - input of the Mihalas (1972) model atmosphere - (read from the file FMODIN) - not tested

ND
number of depth points in the grey atmosphere

TAUMIN
minimum Rosseland optical depth
TAUMAX
maximum Rosseland optical depth
DR1
no meaning!!
MAXG
maximum number of iterations in grey model calculation
RLIMIT
no meaning!!
XXLIM
no meaning!!
GAMMA
no meaning!!
ALPHA
no meaning!!

FMODIN
name of the input file of the model atmosphere (maximum 16 characters)
NEWDEP
>0 - new number of depth points, the model atmosphere is then interpolated to the new depth scale (no extrapolation is possible)
=0 - no change of the number of depth points (default)
LIGNLT
=T - populations of the NLTE input model atmosphere are ignored (i.e. b-factors set to 1)
=F - normal input of the model atmosphere (default)

LR
input for each of the ND depth points starting from the first one, necessary for spherically symmetric atmospheres, has no effect for plane parallel ones and is ignored
=T - the depth point has a tangent ray - default
=F - no tangent ray at this depth point, the values of Eddington factors are interpolated
the first two (outermost) depth points always have a ray

NC
number of core rays (for spherical model only, for plane parallel no effect) - default value NC=ND/10+1

LCHC
T - charge conservation equation is used as a closure equation in the equations of statistical equilibrium (ESE)
F - particle conservation equation is used as a closure equation in the ESE
XLAMR
initial collisional-radiative switching parameter (Hummer & Voels 1988) - comes into effect only if some transition is chosen to have this mode (parameter IRR=2)
XLCRSW
the factor of radiative rates increase in each iteration step, for 0 the code set its value to sqrt(10)

IMLAM
calculation of the approximate lambda operator (ALO)
=0 - no approximate lambda operator (lambda iteration)
=1 - lambda operator after Rybicki (1972) - core saturation
=2 - lambda operator after Olson & Kunasz (1987) - short characteristics
=3 - lambda operator is taken from the solution of the moment radiative transfer equation essentially after Rybicki & Hummer (1991) and Puls (1991) - recommended option
LAMDIA
T - diagonal approximate lambda operator
F - tridiagonal approximate lambda operator
LAMREC
recalculation of ALO; only for IMLAM#3, for IMLAM=3 the ALO is recalculated automatically
T - the ALO is recalculated after each iteration
F - the ALO is not recalculated
XLALIM
the minimum nonuser value of the elements of the approximate lambda operator, if the value is less then XLALIM, then it is set to 0

Output parameters:
IMODS
temporarily duplicate entry
=0 - only the final model is saved to the disk
=1 - in addition, the models are saved after each iteration cycle
=2 - in addition, the models are saved after each iteration in the Newton-Raphson iteration cycle as well as after the depth integration
=3 - the models are saved also after each iteration during the formal solution
LPRAT
T - output of all rates to the file rates.lst
F - no output of the rates
LPFLUX
T - output of the total flux for each depth point to the file flux.lst
F - no output of the total flux
IPENBA
=0 - no output of the energy balance
=1 - only total values for each depth point (to the file enbal.lst)
=2 - detailed output for each depth point and transition
LPEMFL
T - output of the emergent flux to the file emflux.lst
F - no output of the emergent flux
LPFOFL
T - output of the flux at Rosseland optical depth 2/3 to the file formflux.lst
F - no output of the flux at Rosseland optical depth 2/3
LPNDFL
T - output of the flux at the lowest depth point (ND) to the file ndflux.lst
F - no output of the flux at the lowest depth point
LPINT
T - output of the radiation field to the file intensit.lst
F - no output of the radiation field
IPLIMB
1 or 2 - output of the center-to-limb variation to the file limb.lst
0 - no output of the center-to-limb variation
LPPOP
T - output of the level populations, b-factors, ion populations, etc. to the file popul.lst
F - no output of the populations
LPRLAM
T - output of the approximate lambda operator to the file aprlam.lst
F - no output of the approximate lambda operator
LPRELA
T - detailed output of the relative changes to the file relal.lst
F - no detailed output of the relative changes
LPRELB
T - output of the relative changes of the b-factors to the file relbf.lst
F - no output of the relative changes of the b-factors
LPLTE
T - detailed output of the LTE quantities to the file lte.lst
F - no output of the LTE quantities
LPRDEP
T - control output from the depth integration to the file depint.lst
F - no output from the depth integration
LPFORM
T - control output during the formal solution to the file formal.lst
F - no control output during the formal solution
LPSTAB
T - output of the stability test to the file stabil.lst
F - no output of the stability test
LPCONV
T - output of the convective gradients and other convective variables to the file convec.lst
F - no output of the convective gradients
LPCROS
T - output of the photoionization cross sections of all transitions and frequency points to the file cross.lst
F - no output of the photoionization cross sections
LPTRAN
T - output of the complete list of all transitions included into calculation to the file transit.lst
F - no output of the list of transitions
LPMTL
T - output of the model atmosphere in the format of the code TLUSTY to the file Mtlusty.DAT; in addition, the file Ftlusty.DAT is generated, which can serve as an input file fort.5 to the code SYNSPEC
F - no output in the TLUSTY format
NNRIT
total number of Newton-Raphson iterations of the atmospheric structure
CHNRM
maximum change in the iterative (Newton-Raphson) calculations of the atmospheric structure
LRATIO
T - relative changes of variables are performed (i.e. corrections are divided by the value which is to be corrected)
F - absolute changes of variables are performed
LBFEXP
T - explicit linearization of the b-factors
F - implicit linearization of the b-factors (see Kubat 1994)
LBFDIR
T - the new b-factors after linearization are calculated directly as bnew = bold + delta b
F - the new b-factors are calculated using the equations of statistical equilibrium with updated values of other variables (recommended option)
NGLIN
order of the Ng (1974) acceleration of the linearization step (=0 for no Ng acceleration)
KANLIN
iteration in the linearization step where Kantorovich acceleration (Hubeny & Lanz 1992) starts (i.e. when linearization matrices are stored), no acceleration for KANLIN=0

Determination which equations will be linearized in the Newton-Raphson step
LEHE
T - the equation of hydrostatic equilibrium is linearized (and solved)
F - the equation of hydrostatic equilibrium is not linearized
LERE
T - the equation of radiative equilibrium is linearized (and solved)
F - the equation of radiative equilibrium is not linearized
LETAU
T - the equation for the optical depth is linearized (and solved)
F - the equation for the optical depth is not linearized
LESE
T - the equations of statistical equilibrium are linearized (and solved)
F - the equations of statistical equilibrium are not linearized

Determination which variables will be linearized in the linearized equations determined in the preceding line
LLELEC
T - the electron density is linearized
F - the electron density is kept fixed
LLTEMP
T - the temperature is linearized
F - the temperature is kept fixed
LLDR
T - the radius is linearized (only for spherically symmetric atmospheres)
F - the radius is kept fixed
LLBFAC
T - the departure coefficients are linearized
F - the departure coefficients are kept fixed

Common comment to last two lines: The first line (LEHE, LERE, LETAU, LESE) determines which equations will be linearized (and solved). The second line (LLELEC, LLTEMP, LLDR, LLBFAC) determines which basic atmospheric variables will be linearized (in all equations considered). The only condition that must be fulfilled is that number of equations equals the number of variables, otherwise the program stops (and complains). However, not all combinations are reasonable, and we recommend to set LEHE=LLELEC, LERE=LLTEMP, LETAU=LLDR, LESE=LLBFAC. In addition, program makes following substitutions:
  1. For LSPHER=.FALSE. it sets LETAU=LLDR=.FALSE.
  2. For LTE=.TRUE. it sets LESE=LLBFAC=.FALSE.
  3. For MODCAL=3 it sets LEHE=LERE=LETAU=.FALSE. and LESE=LLBFAC=.TRUE.

NDRE
the division point between integral and differential form of the equation of radiative equilibrium (see Kubat 1996)
for ID<NDRE the integral equation of radiative equilibrium is used
for ID>=NDRE the differential equation of radiative equilibrium (flux correction) is used
for NDRE<0 the division point is set to the depth point where tauR~2/3 at the start and then kept fixed
for NDRE=0 the division point is set to the depth point where tauR~2/3 after each global iteration step (sometimes not too stable)
LRESUP
T - the integral equation of radiative equilibrium is considered also for ID>=NDRE by means of superposed equation (idea of superposition is after Hubeny & Lanz 1995, the case of our code is described in Kubat 1996)
F - the integral equation of radiative equilibrium is considered strictly only for ID<NDRE
LEEE
T - the equation of radiative equilibrium is replaced at least in a part of the atmosphere by the equation of thermal balance of electrons; for a brief description of this option see Kubat et al. (1998) and Kubat (2001)
F - the equation of radiative equilibrium is not replaced
NDEE
the division point between radiative equilibrium equation and the equation of thermal balance of electrons; for ID<NDEE the thermal balance equation is used
for NDEE<0 the division point is set to the point where tauR~10-4 (this is too high however, the latter value will be improved, suggestions are welcome)
for NDEE=0 - as for the case of <0, but the value of NDEE is recalculated after each iteration
ICONV
mode of convection: (under development, does not work properly)
=0 - convection is not considered (the only working option now)
=1 - the mixing length theory is used; the formula of Canuto (1996) is taken
=2 - the turbulent convection model of Canuto & Mazzitelli (1991) is used
=3 - the model of Canuto et al. (1996) is used

IHERAD
no meaning!!

Depth integration parameters (depth integration is described in Kubat 1994)
LDINE
T - electron density is depth integrated (using the equation of hydrostatic equilibrium)
F - electron density is not calculated using depth integration
LDIDR
T - radius is depth integrated (only for spherically symmetric atmospheres)
F - radius is not calculated using depth integration
LDIT
T - temperature is depth integrated
F - temperature is not calculated using depth integration
IDIORD
the order of the approximation in the predictor corrector method (values between 2 and 5 are possible, for <2 it is set to 2, for >5 it is set to 5); higher values sometimes become unstable
CHDEIM
maximum depth integration relative change
IDIR
direction of depth integration
=0 - downwards
=1 - upwards

IMODS
temporarily duplicate entry
=0 - only the final model is saved to the disk
=1 - in addition, the models are saved after each iteration cycle
=2 - in addition, the models are saved after each iteration in the Newton-Raphson iteration cycle as well as after the depth integration
=3 - the models are saved also after each iteration during the formal solution

References:

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Last update: 19.2.2006