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

[Robert Molt]

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)/
> /
> /   Niterói/RJ - Brazil/
>
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-- 
Dr. Robert Molt Jr.
r.molt.chemical.physics at gmail.com

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