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values of wavefunctions on grid

Posted: Sun Sep 02, 2012 12:24 am
by chris_a
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

Re: values of wavefunctions on grid

Posted: Thu Sep 12, 2024 8:11 am
by support_vasp

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.

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VASP