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 <[email protected]> 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 < > [email protected]> wrote: > >> Receiving the error: >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> >> *====================================================================== >> = = = *** 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. >> _______________________________________________ >> Quantum Espresso is supported by MaX (www.max-centre.eu/quantum-espresso) >> users mailing list [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > 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 [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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