There are *TWO* possible mistakes for this problem 1. In *ATOMIC_SPECIES* section may you forgot mentioning of one of element
2. Number of atomic coordinates (cartesian) greater than the *nat* option Regards Phanikumar On Thu, Jul 21, 2016 at 1:03 PM, Matteo Cococcioni <mat...@umn.edu> wrote: > 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 <mhblsl...@gmail.com> > 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 >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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