values of wavefunctions on grid
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 3
- Joined: Sun Sep 02, 2012 12:01 am
- License Nr.: 1209
values of wavefunctions on grid
Hi All,
Does anyone know if you can print the values of the wavefunctions on a grid? I've been able to extract the coefficients of the PWs for each wavefunction, but without the PWs, this isn't much use. I guess I could also just plot out the plane waves (to a grid) and then use the coefficients to get a value for each point across a grid, but I can't get the plane waves out of the code.
Thanks,
Chris
Does anyone know if you can print the values of the wavefunctions on a grid? I've been able to extract the coefficients of the PWs for each wavefunction, but without the PWs, this isn't much use. I guess I could also just plot out the plane waves (to a grid) and then use the coefficients to get a value for each point across a grid, but I can't get the plane waves out of the code.
Thanks,
Chris
Last edited by chris_a on Sun Sep 02, 2012 12:24 am, edited 1 time in total.
Chris
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: values of wavefunctions on grid
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP