Lowdin charges for Sn and S atoms with PAW and SL pseudopotentials defined in relation to their initial configuration of electrons.
| s | p | d | ||
|---|---|---|---|---|
| PAW | Sn | −0.1637 | −0.5146 | −5e–4 (4d) |
| PAW | S | −0.2103 | +0.8301 | — |
| SL | Sn | −0.295 | −0.5861 | — |
| SL | S | −0.2293 | +0.7879 | — |
Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.