[QE-users] From bands input error #1

[Michael Adventure Hopkins]

Thank you Paolo, I think that fits the bill for the issue. I am planning on
using WanT for Wannierization of the bands that are generated in QE. Is
there a proper way that you know of for disentangling the "bands.x"
nomenclature between the programs without breaking either?
In the meantime I will look into using "bands.x" of WanT.
Again thank you for your time.

Michael Hopkins
Portland State University

On Fri, May 3, 2019 at 12:26 AM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> Due to lack of imagination, there is a "bands.x" code in WanT and a
> "bands.x" code in QE (and of course, they are completely different). You
> are running the WanT version.  Is this what you want?
>
> Paolo
>
>
> On Thu, May 2, 2019 at 1:33 AM Michael Adventure Hopkins <
> hopmike at gmail.com> wrote:
>
>> Receiving the error:
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>> *======================================================================
>> =                                            =              =     *** WanT
>> *** Wannier Transport Code    =              =
>> (www.wannier-transport.org <http://www.wannier-transport.org>)
>> =              =      Ultra Soft Pseudopotential Implem.    =
>> =                                            =
>> ======================================================================
>> Program <bands>  v. 2.5.0  starts ...  Date  1May2019 at 16: 2:15
>> Serial run.          BUILT :    Wed 05 Dec 2018 01:23:57 PM PST
>> HOST :    x86_64-unknown-linux-gnu           ARCH :    x86_64
>> CC :    cc            CPP :    cpp            F90 :    gfortran
>> F77 :    gfortran         DFLAGS :    -D__GFORTRAN -D__STD_F95
>> -D__FFTW3      BLAS LIBS :
>> -L/vol/apps/hpc/src/q-e-qe-6.3/want/extlibs/blas/lib -lblas    LAPACK LIBS
>> :    -L/vol/apps/hpc/src/q-e-qe-6.3/want/extlibs/lapack/lib -llapack
>> FFT LIBS :    -lfftw3      MASS LIBS :
>>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>> from bands_input : error #         1     Unable to read namelist
>> INPUT %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>> stopping ...*
>>
>> On the forums I see that this is generally due to an old call to
>> &inputpp, but I have checked that I am using &bands in my input file. Is
>> there another reason for this error?
>>
>> Thank you ~Mike H.
>> _______________________________________________
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>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
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