[CP2K-user] How to do SCF restart using a localized wavefunction from wannier orbitals

pavan kumar behara pavan... at gmail.com
Tue May 14 17:19:57 UTC 2019

Hello CP2K developers,

Under DFT/LOCALIZE, the keyword USE_HISTORY states: "*Generate an improved 
initial guess based on a history of results, which is useful during MD." *

Does it mean that the wfn file written during SCF would be overwritten with 
the new localized wavefunction? Or does the initial guess correspond to the 
next iteration of localization?

Can SCF be restarted with the localized orbitals as initial guess? If so, 
does it need post processing of cube files?

Thank you very much for your time.

Best Regards,
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