Yambo Community Forum

Dear all,
I try to plot exciton spatial distribution with xcrysden, but the plots of exciton spatial distribution is always in the middle of structure instead of the hole position. I don't know this plot is OK. If not, how can I solve the problem ?
Thanks for your kind helps.

Dear Luo,
Please explain what you need to plot: 3d isosurface or wavefunction integrated in some direction? Please also post your ypp input file.

Best,
Daniele

Dear Daniele,
Thanks for your help once again !! I want to plot the in-plane exciton spatial distribution for a heterojunction, thus, the hole position was set in the center of Mo atoms in the lower layer. But the 2D plot of exciton spatial distribution is arranged in the middle of heterojunction. I have tried many times in different cases, the plots are always in the middle of the layered structure wherever hole position is. I don't known what's mean. Thank you !!!

Dear Luo Yan,

In 2D plot the exciton wavefunction is averaged (integrated) along the z direction:

wf_plot(x,y)=\int_z |psi_Exc|^2 dz

for convention, the plane is set in the centre, but being integrated along z, it is irrelevant where the plane lies.

Best,
Daniele