Physical background to EATOM correction

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Danny
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Physical background to EATOM correction

#1 Post by Danny » Thu Apr 22, 2010 3:27 pm

Hello,

The vasp tutorial
http://cms.mpi.univie.ac.at/vasp-worksh ... curacy.pdf
states:

Code: Select all

VASP applies an automatic convergence correction
based on the kinetic energy of wavefunctions
in the atomic limit
I know from experience that this correction really improves the convergence, however it's not really clear to me what the physical background for this correction is? Can someone help me out on this?

Thx
Danny
Last edited by Danny on Thu Apr 22, 2010 3:27 pm, edited 1 time in total.
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support_vasp
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Re: Physical background to EATOM correction

#2 Post by support_vasp » Wed Sep 11, 2024 2:15 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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