[QE-users] Magnetic Susceptibility from NMR.out (hamed asadi) (Robert Molt)

[Marcelo Albuquerque]

Dear Molt,

I'm happy to hear it and for helping you.
Thank you for that kind reply.

Bests.

*       Marcelo Albuquerque*

On Wed, Sep 23, 2020 at 7:01 AM, Robert Molt wrote:

> Mr. Albuquerque,
>
> I wanted to thank you for citing original papers. I am always trying to
> find the foundational papers, to read matters from the beginning. I love
> it when people do that on this forum.
>
> On 9/22/20 9:03 PM, Marcelo Albuquerque wrote:
> > Dear Hamed,
> >
> > The calculation of the susceptibility is intrinsically related to the
> > chemical shift. Please, check these papers (below), and the GIPAW
> > documentation.
> >
> > Mauri, F., Pfrommer, B. G., & Louie, S. G. (1996). Ab initio theory of
> > NMR chemical shifts in solids and liquids. /Physical review letters/,
> > /77/(26), 5300.
> >
> > Mauri, F., & Louie, S. G. (1996). Magnetic susceptibility of
> > insulators from first principles. /Physical review letters/, /76/(22),
> > 4246.
> >
> > I hope you figure it useful.
> >
> > Best wishes.
> >
> > /
> > /?Marcelo Albuquerque/
> > //
> > /? Ph.D. Student/
> > //
> > /?Physics Institute/
> > //
> > /Universidade Federal Fluminense (UFF)/
> > /
> > /? ?Niter?i/RJ - Brazil/
> >
> > _______________________________________________
> > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso
> )
> > users mailing list users at lists.quantum-espresso.org
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>
> --
> Dr. Robert Molt Jr.
> r.molt.chemical.physics at gmail.com
>
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