Thank you sir for the kind reply.
On Wed, Aug 26, 2015 at 4:25 PM, 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. For standard LDA+U
> cal
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
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
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