The NaN problem in PROOUT

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u32trc00
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The NaN problem in PROOUT

#1 Post by u32trc00 » Mon May 02, 2011 8:27 am

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>
Last edited by u32trc00 on Mon May 02, 2011 8:27 am, edited 1 time in total.

support_vasp
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Re: The NaN problem in PROOUT

#2 Post by support_vasp » Tue Sep 10, 2024 2:12 pm

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


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