This Emin cutoff in case.indm is set by default to -12 Ry (or -9 Ry in older wien2k versions) which is low enough such that all band states are used for the calculation of the density matrix. For standard LDA+U calculations Emin should not be changed.
F. Tran On Wed, 26 Aug 2015, Paresh Chandra Rout wrote:
Dear all,I want to use LDA+U method for my system . I had gone through the set up procedure for LDA+U calculation in UG manual. But I did not understand how to set the Emin cutoff energy in case.indm file and what does it mean for ? Any help would be highly appreciated. Kind Regards Paresh Chandra Rout Indian institute of Science Education and Research Bhopal Research Scholar
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