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Implementation of the DFT+U method and constrained DFT calculations forUandJwithin a pseudopotential formalism: Application to FeO and LaVO3
Tomoyuki Hamada, Takahisa Ohno, Sadamich MaekawaVolume:
62
Language:
english
DOI:
10.3938/jkps.62.2155
Date:
June, 2013
File:
PDF, 230 KB
english, 2013