My Community

Dear all:
It is written at the title of paw potential:
PAW_PBE Mn_pv 07Sep2000
13.0000000000000000
parameters from PSCTR are:
VRHFIN =Mn: 3p4s3d

I want to know, the valence-electron configurations is 3p^6 4s^2 3d^5, or 3p^6 4s^1 3d^6？

Thanks in advance:)
<span class='smallblacktext'>[ Edited ]</span>

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