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wavecar visualization
Posted: Tue Nov 15, 2011 8:56 pm
by xamnidar
Is there any software out there that will visualize the wavecar? Also, what is the format of the wavecar file? The manual doesn't seem to give any details.
wavecar visualization
Posted: Fri Nov 25, 2011 8:53 pm
by admin
the WAVECAR file only contains the wavefunctions' coefficients, therefore
they don't contain any information that can or should be plotted. the corresponding basis functions are generated by vasp during the run
wavecar visualization
Posted: Mon Nov 28, 2011 6:59 am
by tlchan
If what you want is to visualize the charge density of the wave functions, then you can use the band decomposed charge density as documented in the VASP manual to plot the wave functions one by one.