AMIN: Difference between revisions
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{{TAG|MIXPRE}}, | {{TAG|MIXPRE}}, | ||
{{TAG|WC}} | {{TAG|WC}} | ||
{{sc|AMIN|Examples|Examples that use this tag}} | |||
== References == | == References == | ||
Revision as of 14:35, 17 March 2017
AMIN = [real]
Default: AMIN = min(0.1,AMIX,AMIX_MAG)
Description: AMIN specifies the minimal mixing parameter in Kerker's[1] initial approximation to the charge dielectric function used in the Broyden[2][3]/Pulay[4] mixing scheme (IMIX=4, INIMIX=1).
Kerker's[1] initial approximation for the charge dielectric function is given by
where =AMIX, =BMIX, and =AMIN.
Related Tags and Sections
IMIX, INIMIX, MAXMIX, AMIX, BMIX, AMIX_MAG, BMIX_MAG, MIXPRE, WC
References
- ↑ a b G. P. Kerker, Phys. Rev. B 23, 3082 (1981).
- ↑ S. Blügel, PhD Thesis, RWTH Aachen (1988).
- ↑ D. D. Johnson, Phys. Rev. B38, 12807 (1988).
- ↑ P. Pulay, Chem. Phys. Lett. 73, 393 (1980).