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

Marcelo Albuquerque marcelofilho at id.uff.br
Wed Sep 23 03:03:27 CEST 2020


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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