[Ifeffit] HELP

[Diego Fernando]

For some time I'm using FEFF8.4 for calculations of absorption-XANES and
DOS in some superconducting materials for which it has been successful, now
I have the need to include in the'' input "of some impurity atoms in
interstitial positions by Example:

*A* *1.16* *B*
where *A* and *B* are two different species of atoms, I made ​​several
attempts in trying to implement this using ATOMS3.0 on the web:

http://millenia.cars.aps.anl.gov/cgi-bin/atoms/atoms.cgi

but I have not had consistent results, in ATOMS3.0 manual explains that the
program has been designed for this, but suggests that it may be possible. I
appeal to you to see if I can help solve this problem. Thanks for your
attention.


Diego Fernando Mulato Gómez.
Estudiante de doctorado en Física Teórica,
CINVESTAV, Unidad Mérida, México.
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