[Wien] Testing new mixing ideas

L. D. Marks L-marks at northwestern.edu
Sat Jun 25 15:11:43 CEST 2005


In collaboration with Russel Luke (Department of Mathematics, University
of Delaware) I'm going to start testing some new ideas/methods for doing
the mixing in Wien. I'd like to do this using some realistic
hard-to-converge cases, so I'm writing this email to request examples that
we can use. The base requirements are:
	1) They should be small, i.e. no vast surface/superstructure
calculations with 10^5 k-points.
	2) They should converge poorly with the current mixer.
	3) They should not be of a structure for which you want to publish
results.

Please respond directly to me (not the reply key). Ideal would be a tgz
containing all the needed files except the clm's (as the later can be
big); we can regenerate these ourselves using dstart.

Thanks in advance.

-----------------------------------------------
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L - marks @ northwestern . edu
http://www.numis.northwestern.edu
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