... | ... | @@ -33,8 +33,17 @@ stopbroyden 100 # Broyden is deactivated for iteration it=stopbr |
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# starting from iteration it = stopbroyden+1 the algorithm again proceeds
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# with linear mixing and used linearmixing value for mixing
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# default=999999
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broydenautores 1 # automatic restarts of Broyden algorithm: 0-no, 1-yes (default)
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# the Broyden is automatically restarted if significant changes
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# between two consecutive iterations is detected.
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broydenEmaxchg 0.1 # if the total energy between iteration change by more than broydenEmaxchg [in Effg units]
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# then Broyden is restarted, (default=0.1)
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broydenEdelay 5 # scan energy changes only after broydenEdelay with Broyden has been executed
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# typically, just after starting the Broyden energy fluctuations are observed
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# which should decay within a few iterations (default=5)
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# Recommendation: Use startbroyden and stopbroyden only if Broyden fails to converge.
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# According experience of our collaborators, there are cases (physical problems)
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# According to experience of our collaborators, there are cases (physical problems)
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# where activating Broyden only for some number of iteration provides the best performance
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# For advanced users
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