Hi Priyanka, If you provide your input/output file then it would be easy to figure out the problem exactly. This time I can only guess based on my experience using xcrysden. In each bfgs step you get lattice parameters and atomic position written in the output of vc-relax, I think you are missing those information. You can check your output if the system is relaxed correctly writing the output. Let us know, if any.
Best, Hari Paudyal SUNY Binghamton, NY On Tue, Sep 25, 2018 at 4:41 AM Priyanka Makkar < p20170...@goa.bits-pilani.ac.in> wrote: > Hello all, > I am doing the calculation for making a slab of MnFe2O4 but the output > file is not opening in xcrysden after vc relax. It is giving the following > error as shown below. kindly help in getting the solution. > > Your reply will be grateful. > > > > Operating system : Linux > [p20170414@kosambi ~]$ Package ImageMagick's convert: /usr/bin/convert > Package ImageMagick's import: /usr/bin/import > Package Xwd: /usr/bin/xwd > Executing: /opt/apps/xcrysden/bin/ftnunit > PWSCF version of the output: 6.1 > TEXT-WIDGET: .a1.f1.t > PWSCF version of the output: 6.1 > TEXT-WIDGET: .a2.f1.t > Executing: /usr/bin/gawk -f /opt/apps/xcrysden/Awk/pwo_coortype.awk > /home/p20170414/MnF-Slab/MnF-vc-relax.pw.out > ctypes = 0 > pwOutputPresetWhat: /opt/apps/xcrysden/scripts/pwo2xsf.sh --latestcoor > /home/p20170414/MnF-Slab/MnF-vc-relax.pw.out > Executing: sh /opt/apps/xcrysden/scripts/pwo2xsf.sh --latestcoor > /home/p20170414/MnF-Slab/MnF-vc-relax.pw.out > pwo2xsf.xsf > Executing: sh /opt/apps/xcrysden/scripts/dummy.sh > /home/p20170414/MnF-Slab/MnF-vc-relax.pw.out > Number of Atoms: 0 > Number of Frames: 0 > Estimated number of bonds = 0 > sInfo(dim) = 0; periodic(dim) = 0 > > > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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