[Wien] Emin cutoff energy

[tran at theochem.tuwien.ac.at]

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
> 
> 
>