[QE-users] unable to open the output file of vc relax in xcrysden while performing calculation for slab

Priyanka Makkar p20170414 at goa.bits-pilani.ac.in
Tue Sep 25 10:39:06 CEST 2018


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 at 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
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