details about VASP code: what's the exact meaning of RHOAE and RHOPS
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details about VASP code: what's the exact meaning of RHOAE and RHOPS
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!!!
Thanks a lot!!!
Last edited by bsmile on Wed Feb 22, 2012 1:20 am, edited 1 time in total.
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Re: details about VASP code: what's the exact meaning of RHOAE and RHOPS
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