[Pw_forum] Subject: Relaxing a 2x2x2 supercell ...while reading input file getting "wrong number of columns in Atomic positions error" for silver atom created from Xcrysden
matteo at umn.edu
Thu Jul 21 09:33:56 CEST 2016
open your input file and check the atomic positions. there is something
wrong there. maybe you forgot to specify the atomic species, or something
else the code expects to find. I typically get this error when I fail to
append the file with positions. I'm not sure this is the error you get if
you indicate a wrong number of atoms. check that too.
hope this helps.
On Thu, Jul 21, 2016 at 9:03 AM, Md Mahabul Islam <mhblslm59 at gmail.com>
> Hi pwscf users & developers,
> I am trying to relax a silver atom with vacancy but while reading the
> input file I am getting "wrong number of columns in Atomic positions
> error".The atomic positions were created from Xcrysden for 2x2x2 supercell
> (asymmetric unit).
> Any help regarding this will be highly appreciated.
> Thank you,
> *Md Mahabul Islam*
> *PhD Candidate*
> *Department of Physics,*
> *Indian Institute of Technology Madras,Chennai-600036, India*Mobile- +91
> Pw_forum mailing list
> Pw_forum at pwscf.org
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