[QE-users] From bands input error #1

Paolo Giannozzi p.giannozzi at gmail.com
Fri May 3 09:25:38 CEST 2019


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
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