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WC = [real]
Default: WC = 1000.
Description: WC specifies the weight factor for each step in Broyden mixing scheme (IMIX=4).
- 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.
- 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:
- in order to set small weights for the first steps and increasing weights for the last steps.