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Citation

BibTex format

@article{Bailey:2010:1/012004,
author = {Bailey, CL and Liborio, L and Mallia, G and Tomi, S and Harrison, NM},
doi = {1/012004},
journal = {Journal of Physics: Conference Series},
title = {Calculating charged defects using CRYSTAL},
url = {http://dx.doi.org/10.1088/1742-6596/242/1/012004},
volume = {242},
year = {2010}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - The methodology for the calculation of charged defects using the CRYSTAL program is discussed. Two example calculations are used to illustrate the methodology: He+ ions in a vacuum and two intrinsic charged defects, Cu vacancies and Ga substitution for Cu, in the chalcopyrite CuGaS2. © 2010 IOP Publishing Ltd.
AU  - Bailey,CL
AU  - Liborio,L
AU  - Mallia,G
AU  - Tomi,S
AU  - Harrison,NM
DO  - 1/012004
PY  - 2010///
SN  - 1742-6588
TI  - Calculating charged defects using CRYSTAL
T2  - Journal of Physics: Conference Series
UR  - http://dx.doi.org/10.1088/1742-6596/242/1/012004
VL  - 242
ER  -
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