[Pw_forum] set_hubbard_l.f90

Prasenjit Ghosh prasenjit.jnc at gmail.com
Fri Dec 7 21:43:12 CET 2012


Thanks a lot Burak.

With regards,

Prasenjit


On 7 December 2012 21:11, Burak Himmetoglu <himm0013 at umn.edu> wrote:

> Dear Prasenjit,
>
> You can find set_hubbard_l.f90 in the folder flib.
>
> Best,
> Burak
>
> On Fri, Dec 7, 2012 at 2:00 PM, Prasenjit Ghosh <prasenjit.jnc at gmail.com>wrote:
>
>>
>>
>> Dear all,
>>
>> In the earlier versions of QE, there used to be a file called
>> set_hubbard_l.f90 where one can add elements for which DFT+U is not
>> configured. However, in espresso-5.0.2, I do not find the routine in
>> PW/src.....can anyone say where it is or what has happened to it?
>>
>> With regards,
>>
>> Prasenjit
>>
>> --
>> PRASENJIT GHOSH,
>> IISER Pune,
>> First floor, Central Tower, Sai Trinity Building
>> Garware Circle, Sutarwadi, Pashan
>> Pune, Maharashtra 411021, India
>>
>> Phone: +91 (20) 2590 8203
>> Fax: +91 (20) 2589 9790
>>
>> _______________________________________________
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>>
>
>
>
> --
> Burak Himmetoglu
> Post-Doctoral Research Associate
> University of Minnesota MN, USA
>
>
> _______________________________________________
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> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
PRASENJIT GHOSH,
IISER Pune,
First floor, Central Tower, Sai Trinity Building
Garware Circle, Sutarwadi, Pashan
Pune, Maharashtra 411021, India

Phone: +91 (20) 2590 8203
Fax: +91 (20) 2589 9790
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