[QE-users] problem in running pw2wannier90.x
Soumendra Kumar Das
soumendra.batu at gmail.com
Thu Feb 3 09:01:01 CET 2022
Dear Raghottam,
Thank you so much. It works now.
On Tue, Feb 1, 2022 at 11:20 AM Raghottam Sattigeri <
raghottam.s-phy at msubaroda.ac.in> wrote:
> You have given both prefix and seedname and the script does not end with a
> "/". Probably this is creating the problem.
>
> On Tue, Feb 1, 2022, 10:34 Soumendra Kumar Das <soumendra.batu at gmail.com>
> wrote:
>
>> Dear QE users,
>>
>> I am running the wannier canculation for Bi2Se3. I have successfully run
>> scf, nscf, wannier90.x -pp. But while running pw2wannier90.x I am getting
>> this error.
>>
>>
>>
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>> Error in routine pw2wannier90 (1):
>> reading inputpp namelist
>>
>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>>
>> stopping ...
>>
>> Here is my input filr for pw2wan.
>>
>> &inputpp
>> outdir = 'temp2'
>> prefix = 'Bi2Se3'
>> seedname = 'wannier'
>> write_amn = .true.
>> write_mmn = .true.
>> write_unk = .true.
>>
>>
>> Please suggest to me what I should do on this. I am using qe-6.5.
>> --
>> *---------------------------------------*
>> *Thanks and Regards*
>> *Soumendra Kumar Das*
>>
>> _______________________________________________
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>
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--
*---------------------------------------*
*Thanks and Regards*
*Soumendra Kumar Das*
*Postdoc. Research Scholar*
*School of Physical Sciences*
*National Institute of Science Education and Research (NISER), *
*Bhubaneswar*
*PO- Bhimpur-Padanpur, Via- Jatni, District:- Khurda*
*PIN – 752050, Odisha, INDIA*
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