[Wien] MSR1a information request

Laurence Marks L-marks at northwestern.edu
Tue Sep 16 14:42:14 CEST 2014


I have a suspicion that for some systems MSR1a does not do so well and it
is associated with a large discrepancy in the new charge density (:NEC03).
This may be a source of problems, or just a symptom. If you have cases
where MSR1a was not bahaving so well can you please check this and let me
know. Thanks.

N.B., not sure what I can do about this, but identifying an issue is always
the first step.

___________________________
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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