[CPMD-list] Extrapolate WFN

Matteo Guglielmi matteo.guglielmi at epfl.ch
Tue Jul 3 09:41:43 CEST 2007


How does the EXTRAPOLATE WFN keyword work?

Does it use the last N wavefunctions to guess the new
one *only* in a BO MD?

Which value for N would you reccomand?

Is it memory demanding?

Thanks,
MG.


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