I guess this is from a VASP input file. This is VASP's way of using virtual crystal approximation: It does not use a "virtual atom", rather puts the real atoms at the same position with weighted pseudopotentials in the INCAR file.
HTH Mighfar > Dear All, > I am trying to make a structure of *CeAgGa3 compound* from the > following cif file in which *two different atoms have same > configurations*. > But I don't know how to do it? Can any one help? > > The coordinations are as follows: > Ce 0.00000000 0.00000000 0.00000000 > Ga 0.00000000 2.16475000 2.70417500 > Ag 0.00000000 2.16475000 2.70417500 > Ga 0.00000000 0.00000000 4.17200119 > > Thank you in advance for any helps regarding my request. > > Best regards, > Neha Bothra, > Ph.D student, > JNCASR, > Bengaluru, India. > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Mighfar Imam, Postdoc MRC, IISc, Bangalore. _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
