[gpaw-users] Positive and negative part of the wavefunction + electrostatic potential
Anders Hellman
ahell at chalmers.se
Mon Oct 3 21:45:59 CEST 2011
Dear GPAW users,
I have two problems that I would be grateful if someone could help me with.
1) I am interested in plotting the wave function of a slab (calculated with a number of kpoints). However, when I follow the CO example I lose the negative sign of the wave function, even when I ask for the get_psuedo_wave_function in in kpt=0. What am I doing wrong?
2) Will the get_effective_potential() give me the electrostatic potential in my slab or what does this give me?
I am sorry for all the simple questions but ...
Cheers,
Anders
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