[Wien] MSR1a

[Laurence Marks]

For reference, the paper describing the MSR1 and MSR1a algorithms has
just appeared in print

Fixed-Point Optimization of Atoms and Density in DFT
DOI: 10.1021/ct4001685

The version described is what will be available in the next Wien2k
release -- the current version is slightly less stable but still good.
Citation when you use MSR1a would be appreciated.

N.B., the journal mangled the Nomenclature and did not like my use of
functional in one case (the editor switched it to function), hopefully
no other typos.

-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi