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G-vectors


Chronological Thread 
  • From: Kristopher Andersen <andersen@yclept.ucdavis.edu>
  • To: ABINIT Forum <forum@abinit.org>
  • Subject: G-vectors
  • Date: Tue, 11 Feb 2003 17:43:16 -0800 (PST)

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?


--
Kristopher Andersen http://yclept.ucdavis.edu/~andersen
Department of Physics andersen@physics.ucdavis.edu
University of California at Davis +1 (530) 752-0446





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