wavecar visualization
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xamnidar
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wavecar visualization
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.
Last edited by xamnidar on Tue Nov 15, 2011 8:56 pm, edited 1 time in total.
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admin
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wavecar visualization
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
they don't contain any information that can or should be plotted. the corresponding basis functions are generated by vasp during the run
Last edited by admin on Fri Nov 25, 2011 8:53 pm, edited 1 time in total.
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tlchan
wavecar visualization
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.
Last edited by tlchan on Mon Nov 28, 2011 6:59 am, edited 1 time in total.