[gpaw-users] Get all electron wavefunction

Torsten Hahn Torsten.Hahn at physik.tu-freiberg.de
Wed Jun 19 14:52:54 CEST 2013


Dear all,

gpaw has the possibility to extract n the all electron density by

n = calc.get_all_electron_density(gridrefinement=2)

Is there a way to get access to the all-electron wave functions as well ?

Best regards,
Torsten. 



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