[Pw_forum] wannier_new.f90

nazari at iasbs.ac.ir nazari at iasbs.ac.ir
Tue Oct 17 11:23:59 CEST 2017


 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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