Releases: jlm785/pseudopotential
Releases · jlm785/pseudopotential
v6.0.8
First release of the Fortran90 version of the code. Validation works for all elements H--Og. Band structures for all non-highly radioactive elements in their low temperature stable structure calculated with the default pseudopotentials were compared with all-electron (LAPW) band structures.
Tests for some excited states of heavier transition metals, rare earths and actinides may not converge in the Kleinman-Bylander form.