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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