[Wien] lapw5

[Peter Blaha]

You can use lapw7   to plot the real/imag/abs part of psi_k,n

This means of k-point k and band n, which must be specified as input.

Check the UG, it is quite similar to lapw5 and the plots can be 
visualized in xcrysden.


Am 24.04.2025 um 17:15 schrieb pluto via Wien:
> Dear All,
> 
> I have been plotting charge density for a slab, and I've been able to 
> distinguish the surface and bulk states nicely.
> 
> I understand that the case.rho file contains information on charge, that 
> is the square of the wave function. Is there a way to obtain the image 
> of the wave function phase?
> 
> Best,
> Lukasz
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/ 
> wien at zeus.theochem.tuwien.ac.at/index.html

-- 
-----------------------------------------------------------------------
Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
-------------------------------------------------------------------------