[Wien] How to set mixing paramters?

[L. D. Marks]

Please read my previous email:

These are not close to appropriate. What matters are:
1) The mixing Factor
2) The ratio PW/CLM scaling
3) The size of the angle output
4) How well you have defined the problem.

In both emails you sent your angle's are very large. Almost certainly you
have not defined your calculation (RMT's, LO's, RKMAX, spin) properly.

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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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