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Speeding up DFT: A faster method for integrating band energy in SCF cycles
Speeding up DFT: A faster method for integrating band energy in SCF cycles
2015
Matthew M. Burbidge
Jeremy J. Jorgensen
Conrad W. Rosenbrock
Derek C. Thomas
Bret C. Hess
Rodney W. Forcade
Stefano Curtarolo
Gus L. W. Hart
Keywords:
Computational physics
Materials science
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