The NaN problem in PROOUT
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 1
- Joined: Wed Jan 12, 2011 6:32 am
The NaN problem in PROOUT
Dear all,
I would like to generate the projection of the wavefunctions onto spherical harmonics with spin-orbital interaction.
I set LORBIT=5 and obtain PROOUT.1,PROOUT.2,PROOUT.3, and PROOUT.4.
The projection of the wavefunctions in the PROOUT.1 and PROOUT.2 are ok.
However, projection of the wavefunctions are incorrect in the PROOUT.3 and PROOUT.4,
The values are NaN.
How should I slove this NaN problem?
Thank you.
<span class='smallblacktext'>[ Edited ]</span>
I would like to generate the projection of the wavefunctions onto spherical harmonics with spin-orbital interaction.
I set LORBIT=5 and obtain PROOUT.1,PROOUT.2,PROOUT.3, and PROOUT.4.
The projection of the wavefunctions in the PROOUT.1 and PROOUT.2 are ok.
However, projection of the wavefunctions are incorrect in the PROOUT.3 and PROOUT.4,
The values are NaN.
How should I slove this NaN problem?
Thank you.
<span class='smallblacktext'>[ Edited ]</span>
Last edited by u32trc00 on Mon May 02, 2011 8:27 am, edited 1 time in total.
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: The NaN problem in PROOUT
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