Plotting wave functions

Message

maryam · #1 Post by **maryam** » Thu Mar 22, 2012 8:09 am

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

Danny · #2 Post by **Danny** » Thu Mar 22, 2012 4:41 pm

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

maryam · #3 Post by **maryam** » Fri Mar 23, 2012 7:04 am

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,

Danny · #4 Post by **Danny** » Fri Mar 23, 2012 2:59 pm

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

)