[Wien] Emin cutoff energy

[Paresh Chandra Rout]

Thank you sir for the kind reply.

On Wed, Aug 26, 2015 at 4:25 PM, <tran at 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. 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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