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. Matteo On Thu, Jul 21, 2016 at 9:03 AM, Md Mahabul Islam <[email protected]> wrote: > 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 > 9087297118/+91-9593148106 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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