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Dataset . 2018
License: CC BY
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Dataset . 2018
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Dataset . 2018
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Dataset . 2018
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Claim

SLABCC: Total energy correction code for charged periodic slab models

Research datakeyboard_double_arrow_right Dataset 30 Jul 2018Publisher:Zenodo
Authors: Farzalipour Tabriz, Meisam; Aradi, Bálint; Deák, Peter; Frauenheim, Thomas;

doi: 10.5281/zenodo.1323558 , 10.5281/zenodo.3689245 , 10.5281/zenodo.1323559 , 10.5281/zenodo.1419758

SLABCC: Total energy correction code for charged periodic slab models

Abstract

Test set for SLABCC (SLAB Charge Correction) including the input files, input parameters and the expected output. The geometries correspond to the positively charged Cl-vacancy on the surface of the NaCl slab with different vacuum thickness. The compiler type/compilation flags, linked libraries, and the hardware architecture may influence the optimization results but the effects on the correction energies should be negligible. The latest version of SLABCC can be downloaded from https://github.com/MFTabriz/slabcc

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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