details about VASP code: what's the exact meaning of RHOAE and RHOPS

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Locked
Message
Author
bsmile

details about VASP code: what's the exact meaning of RHOAE and RHOPS

#1 Post by bsmile » Wed Feb 22, 2012 1:20 am

These two variables are directly read in from POTCAR. What is their exact meaning? Are they AE/PS core electron densities, or actually AE/PS valence electron densities for an atomic reference state? Is there any special role played by the atomic reference state in the design of VASP code, as usually we really don't need to know this information (except for the core electron information and something related with augumentation charge) in implementing PAW/US PS in LDA.

Thanks a lot!!!
Last edited by bsmile on Wed Feb 22, 2012 1:20 am, edited 1 time in total.

support_vasp
Global Moderator
Global Moderator
Posts: 1817
Joined: Mon Nov 18, 2019 11:00 am

Re: details about VASP code: what's the exact meaning of RHOAE and RHOPS

#2 Post by support_vasp » Thu Sep 12, 2024 8:17 am

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


Locked