Please use the computer above your eyes. You can think this through from what I said.
--- Professor Laurence Marks (Laurie) Walter P Murphy Professor Emeritus Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi On Tue, Sep 12, 2023, 18:36 Burhan Ahmed <burhan.ah...@aus.ac.in> wrote: > What could be the possible solution?? Actually I export the structure from > vasp file using vesta. > > On Tue, 12 Sep, 2023, 3:02 pm Laurence Marks, <laurence.ma...@gmail.com> > wrote: > >> You mean 7&8, 9&10 etc. Remember that 0.0 and 1.0 are the same for >> fractional coordinates. >> >> -- >> Professor Laurence Marks (Laurie) >> Walter P Murphy Professor Emeritus >> Department of Materials Science and Engineering, Northwestern University >> www.numis.northwestern.edu >> "Research is to see what everybody else has seen, and to think what >> nobody else has thought" Albert Szent-Györgyi >> >> On Tue, Sep 12, 2023, 16:39 Burhan Ahmed <burhan.ah...@aus.ac.in> wrote: >> >>> Dear Peter sir, >>> When I upload my cif structure in wien2k,and run the x nn program, it >>> shows that atoms 7 and 8 are sit at the same equivalent position. If I do >>> the cif2struct then the struct file generated has the same position of atom >>> 7 and 8 and also some other atoms acquire the same position. But in >>> cif, when I check, the coordinates of atoms 6 and 7 are distinct. >>> >>> What could be the possible solution of it. >>> >>> NB: I tried with different conversion of format (using VESTA) but the >>> error remains the same. >>> >>> _______________________________________________ >>> Wien mailing list >>> Wien@zeus.theochem.tuwien.ac.at >>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >>> SEARCH the MAILING-LIST at: >>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >>> >> _______________________________________________ >> Wien mailing list >> Wien@zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> SEARCH the MAILING-LIST at: >> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >> > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html >
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
