Electronic structure of CeO2 greatly depends on initial guess of wave function in OT method

Florian Schiffmann flosch... at gmail.com
Mon Apr 6 18:14:15 UTC 2015


could you clarify what you mean when you say restarting with a different U 

If you use a different value for U in the initial and the restarted 
calculation there will be for sure a difference in energy and computed 
properties. Maybe I am getting you wrong so clarification would be useful.

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