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WC

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WC = [real]
Default: WC = 1000. 

Description: WC specifies the weight factor for each step in Broyden mixing scheme (IMIX=4).

  • WC>0
Set all weights identical to WC (resulting in Pulay's mixing method), up to now Pulay's scheme was always superior to Broyden's 2nd method.
  • WC=0
Switch to Broyden's 2nd method, i.e., set the weight for the last step equal to 1000 and all other weights equal to 0.
  • WC<0 (implemented for test purposes: not recommended)
Try some automatic setting of the weights according to:
W_{\rm iter}=0.01 |{\rm WC}|/||\rho_{\rm out}-\rho_{\rm in}||_{\rm precond.}\,
in order to set small weights for the first steps and increasing weights for the last steps.

Related Tags and Sections

IMIX, INIMIX, MAXMIX, AMIX, BMIX, AMIX_MAG, BMIX_MAG, AMIN, MIXPRE

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