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Johannes Voss edited this page Sep 4, 2013
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How do I initialize a self-consistent calculation with the Kohn-Sham potential from a previous calculation?
Store the charge density with calc.save_chg(filename) and reload it for the new calculator with othercalc.load_chg(filename). Use startingpot='file' in the new calculator definition to initialize the Kohn-Sham potential from the loaded charge density. -
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