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AMIN

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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

Examples that use this tag

References

  1. a b G. P. Kerker, Phys. Rev. B 23, 3082 (1981).
  2. S. Blügel, PhD Thesis, RWTH Aachen (1988).
  3. D. D. Johnson, Phys. Rev. B38, 12807 (1988).
  4. P. Pulay, Chem. Phys. Lett. 73, 393 (1980).

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