[Wien] How to find lattice constant?

[Ramkumar Thapa]

Cube root of optimised volume is theoretical lattice constant
RKThapa
Mizoram University
===========

On Mon, Sep 13, 2010 at 10:26 PM, swati chaudhury <swati at rcais.res.in>wrote:

> Hi,
>  what is lattice type of your system? Is it hexagonal? From optimum vol you
> can easily get lattice const by using formula, which are available in any
> standard solid state chemistry text book.
> best wishes.
> swati
>
> --- On Mon, 13/9/10, puday at iitk.ac.in <puday at iitk.ac.in> wrote:
>
> > From: puday at iitk.ac.in <puday at iitk.ac.in>
> > Subject: [Wien] How to find lattice constant?
> > To: wien at zeus.theochem.tuwien.ac.at
> > Date: Monday, 13 September, 2010, 2:44 PM
>  > Dear wien2k user,
> > How can I find lattice constants theoretically if those are
> > not known
> > experimentally?I have done volume optimization and c/a
> > optimization.Now
> > which file will give me the theoretically optimized lattice
> > constant?
> > Please suggest me.
> >
> > Regards,
> > Uday
> > Department of Physics
> > Indian Institute of Technology,Kanpur
> > India.
> > _______________________________________________
> > Wien mailing list
> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
>
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