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augmentation charge CQIJ

Posted: Mon Sep 07, 2020 9:06 am
by xiaoming_wang
Hello,

I'm wondering whether the augmentation charges CQIJ in the vasp routines, which reads from P%QION in the POTCAR, have taken into account the spherical harmonics integrals or just the radial integral.

Best,
Xiaoming

Re: augmentation charge CQIJ

Posted: Wed Sep 11, 2024 3:08 pm
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.

Best wishes,

VASP