[Wien] Emin cutoff energy

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

Re: [Wien] Emin cutoff energy

Thank you sir for the kind reply. On Wed, Aug 26, 2015 at 4:25 PM, t...@theochem.tuwien.ac.at wrote: 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.

Re: [Wien] Emin cutoff energy

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