ENCUTLR

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ENCUTLR = [real]
Default: ENCUTLR = 50 eV 

Description: reciprocal space cutoff for the treatment of the long-range contribution.

Similarly to the treatment of the long-range part of the force-constants, the potential and consequently the PAW strengths also require a special treatment[1].

References

  1. ↑ M. Engel, H. Miranda, L. Chaput, A. Togo, C. Verdi, M. Marsman, and G. Kresse, Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method, Phys. Rev. B 106, 094316 (2022).
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