With doping I am getting different new and old multiplicity. So should I also change the multiplicity?
On 6 June 2018 at 03:34, Pablo de la Mora <delam...@unam.mx> wrote: > Yes, with the doping you change the symmetry, so sgroup will rearrange the > atoms of the cell and recover the 'remaining' symmetries > > _______________________________________________ > 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
