[Pw_forum] wannier_new.f90

[Dmitry Korotin]

Dear Fariba,
please tune the file Modules/input_parameters.f90:

INTEGER, PARAMETER :: nwanx = 50  ! max number of wannier functions


2017-10-17 14:23 GMT+05:00  <nazari at iasbs.ac.ir>:
>
>  Dear Dmitry,
>
>  When the number of wannier functions are more than 100, by reducing this
> parameter the wannier_ham.x will run otherwise it will terminated by
> error.
> I wish to know the optimized value of this parameter  for 250 wannier
> function in wannier_ham.x input.
>
> regards
> Fariba
>
>
>
>> Dear Fariba,
>> there is no any relationship between these two parameters.
>>
>> 2017-10-16 14:40 GMT+05:00  <nazari at iasbs.ac.ir>:
>>>
>>> Dear All,
>>>  would you please let me know the relationship between ningx ( "INTEGER,
>>> PARAMETER :: ningx = 6  ! max number of trial wavefunction ingredien" in
>>> the following f90 file
>>>
>>> ../../qe-6.1/Modules/wannier_new.f90
>>>
>>> with the number of wannier function in the wannier_ham.x input file.
>>>
>>>
>>> Thank you in advance
>>> Fariba
>>> IASBS
>>>
>>>
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>>
>>
>>
>> --
>> С уважением,
>> Дмитрий Коротин
>>
>> Best regards,
>> Dr. Dmitry Korotin
>>
>> Institute of Metal Physics
>> S. Kovalevskaya, 18
>> 620990 Yekaterinburg
>> Russia
>>
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>
>
>
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-- 
С уважением,
Дмитрий Коротин

Best regards,
Dr. Dmitry Korotin

Institute of Metal Physics
S. Kovalevskaya, 18
620990 Yekaterinburg
Russia