LEFG

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LEFG = .TRUE. | .FALSE.
Default: LEFG = .FALSE. 

Description: compute the electric field gradients at positions of the atomic nuclei.

For LEFG=.TRUE., the electric field gradients at the positions of the atomic nuclei are calculated using the method of Ref.[1].

Related Tags and Sections

QUAD_EFG

References

  1. ↑ H. M. Petrilli, P. E. Blöchl, P. Blaha, and K. Schwarz, Phys. Rev. B 57, 14690 (1998).

Contents

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