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77951121706
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note
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-14 Ha on the potential residual. The electronic wave functions were expanded in plane-waves up to a kinetic energy cutoff of 85 Ha in ABINIT. For elastic constants calculations, the Brillouin zone integration was sampled using a 15×15×15 special k-points grid according to the Monkhorst-Pack scheme [28].
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24
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0002547661
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Chung, D.H.1
Buessem, W.R.2
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77951137481
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An all-electron full-potential linearised augmented-plane wave (FP-LAPW) code
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http://elk.sourceforge.net/ (An all-electron full-potential linearised augmented-plane wave (FP-LAPW) code).
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