The ABINIT Users Mailing List ( CLOSED )

[Valerio Olevano <valerio.olevano@polytechnique.fr>]

Both the coefficients of the wavefunctions
and the G-vectors are contained
in the _KSS file.
to generate it look at the ncomsto, nbndsto variables.
regards

Valerio Olevano


> Does anybody know how to determine which G-vector corresponds to which
> coefficient of the wavefunction (or the density or potential)? The
> abinis_help file provides information on how to obtain the expansion
> coeficients, but to know the value of the wavefunction at a particular
> point in space one would also need to know the G-vector corresponding
> to each coefficient. Is this information contained in one of the
> output files?