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Releases: jlm785/pseudopotential

v6.0.8

26 May 10:06
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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.