It is possible that the number of atoms and nat do not match. On Thursday, 21 July 2016, Phanikumar Pentyala <phani12.c...@gmail.com> wrote:
> 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 > <javascript:_e(%7B%7D,'cvml','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 >> <javascript:_e(%7B%7D,'cvml','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 <javascript:_e(%7B%7D,'cvml','Pw_forum@pwscf.org');> >>> http://pwscf.org/mailman/listinfo/pw_forum >>> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org <javascript:_e(%7B%7D,'cvml','Pw_forum@pwscf.org');> >> http://pwscf.org/mailman/listinfo/pw_forum >> > >
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