[gpaw-users] New PAW setups for Rb, Ti, Ba, La, Sr, K, Sc, Ca, Zr and Cs

[Jens Jørgen Mortensen]

There is a new tar-file with PAW setups here: 

https://wiki.fysik.dtu.dk/gpaw/setups/setups.html

For elements with semi-core states, the old setups contained pseudo
partial waves that were not correctly normalized.  This has now been
fixed, so the initial guess for the electron density should be better
now.

Also, the tar-file now contains PAW setups for the GLLBSC functional.

Jens Jørgen