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Sequential execution of the programs

Besides calculating the ELNES in one run using the elnes script, calculations can be done ``by hand``, i.e. step by step, for the sake of flexibility.

initelnes
This program generates the appropriate input file case.int, according to the dipole selection rule, for the subsequent execution of the tetra program.

The program initelnes is executed by invoking the command:

initelnes elnes.def or x initelnes [-up|-dn]
tetra
The appropriate densities of states for (L+1) and (L-1) states respectively are generated by execution of the tetra program.

The program tetra is executed by invoking the command:

tetra tetra.def or x tetra [-up|-dn]
telnes
This program calculates the electron energy loss spectrum The program elnes is executed by invoking the command:
telnes elnes.def or x telnes [-up|-dn]




2000-04-11