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Thermodynamic properties of tin: Part I Experimental investigation, ab-initio modelling of α-, β-phase and a thermodynamic description for pure metal in solid and liquid state from 0 K

Alexandra Khvan, T. S. Babkina, Alan Dinsdale, Irina A. Uspenskaya, I. Fartushna, A.I. Druzhinina, A. B. Syzdykova, M. P. Belov, Igor A. Abrikosov

Calphad · 2019 · 53 citations · 42 references

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References

42

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17