10. Appendix D. Sample input files

10.1 SF6 Molecule

TITLE Molecular SF6

POTENTIALS
*    ipot    z   tag
       0    16   S        absorbing atom must be unique pot 0
       1     9   F

ATOMS
*  x      y      z     ipot
   0      0      0       0          S absorber
   1.56   0      0       1          6 F backscatters
   0      1.56   0       1
   0      0      1.56    1
  -1.56   0      0       1
   0     -1.56   0       1
   0      0     -1.56    1