[Wien] Regarding change of stoichiometry formula

mandeep hooda mandeep103 at gmail.com
Sun Dec 25 14:35:44 CET 2016


Dear Wien2k users,
                             I want to change NbSe3 to NbSe2.6 in Wien2k by
creating supercell of NbSe3. I have read about how to add or remove
electrons in .in2 file. How will I decide that this number of electrons
should be removed so that I could get NbSe2.6.  Thanking you in advance



Regards
Mandeep Kumar Hooda
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