TRAX target material file format
| GSI Biophysics | TRAX long write-up |

Target material file format

!filetype    trxtarg
!fileversion <yyyymmdd>
!filedate    <dow> <mmm> <dd> <hh>:<mm>:<ss> <yyyy>
# 
# Comment
#
!material      <name>
[ !composition   <formula> ]
[ !density       <rho / g/cm**3> ] 
[ !molweight     <mol> ]
[
!shell
<ne> <Ebind> <Eslater> [ <parentage1> [ <parentage2> ...] ]
[
<ne> <Ebind> <Eslater> [ <parentage1> [ <parentage2> ...] ]
[
...
]
]
] 
The specification for one shell (primary quantum number) comprises the number of electrons, the experimental binding energy (keV), the mean kinetic energy according to Slater's rules {keV). Optionally, parentage information may be added which specifies how the molecular orbital may be composed of the contributing atomic orbitals using the LCAO (linear combination of atomic orbitals) method.
The parentage information is specified as follows:
<parentage> =   
Composition, molweight and shell configuration may be omitted for builtin materials such as H2O and N2.
Molweight and shell configuration should be omitted for pure atoms since all elements up to Xe (currently) are already builtin.
For molecules a realistic shell configuration should be provided. Otherwise it will be built from the single contributing atoms.
The usual file name extension is .targ. An examples for an atom, a builtin material and a shell configuration.
| GSI Biophysics | TRAX long write-up |
Last updated: M.Kraemer@gsi.de, 17-Jan-2001