Dear All,
Elk version 10.2.4 has just been released. The changes are mainly due to efficiency improvements made over the past few months. In particular, OpenMP parallelism has been improved and the code should run noticeably faster.
Best wishes,
Kay Dewhurst, Sangeeta Sharma, Lars Nordström, Francesco Cricchio, Oscar Grånäs and Hardy Gross.
elk-10.2.4
-many optimisations
-Wenhan Chen added the ultra long-range total density of states (DOS) with task=710
-removed a small amount (10^-10) from the valence charge in order to pin the Fermi energy to the highest occupied band; this improves stability when autolinengy=.true.; thanks to Pietro Bonfa for the careful testing
-added new variable 'rmtscf' which is the scaling factor for all input muffin-tin radii