My Community

Dear VASP users,

I'm going to plot the square of wavefunctions of energy to see their amplitude over a rage of energy, but I can not see WAVECAR.

I would be very appreciative for your helps.
Thanks

You could make your life a lot easier and search for how to generate band decomposed densities :-) (PARCHG) These can give you the density of all wavefunctions in a certain energy interval or of a single specific band) .... you know VASP is a plane wave code? (i.e. you have no nice atom centered wavefunctions)

Danny

Dear Danny,

Thanks for your reply.
Can partial charge density be calculated by VASP 4.6 or it is only calculated by VASP 4.4?

Regards,

cat be done by VASP 4.6 and upward (check the manual on how to do it )