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Elk version 2.2.8 released

Dear All,

Elk version 2.2.8 has just been released.

This version fixes a serious bug introduced in version 2.2.5 which affects properties computed with GGA. This was discovered by Jan Balluff and Markus Meinert.

The new version is also considerably faster than the previous version thanks to further improvements in the treatment of functions inside the muffin-tin.

Best wishes,
Kay Dewhurst, Sangeeta Sharma, Lars Nordstrom, Francesco Cricchio, Fredrik Bultmark, Oscar Grånäs and Hardy Gross


elk-2.2.8
-Important: fixed serious bug discovered by Jan Balluff and Markus Meinert which produced erroneous magnetic moments with GGA; this only affects version 2.2.5; sorry about that
-even more substantial speed-ups for most parts of the code
-fixed MPI problem with the magnetic anisotropy energy (MAE) routine reported by Konrad Bussmann and José A. Flores-Livas
-minor bug fixes and improvements

Posted by J. K. Dewhurst 2013-10-30

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