Short history of GPAW and latest news about PAW setups

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Oxide formation energies relative to AIMS

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Oxide formation energies relative to AIMS

Ruthenium exampleAdsorption energies in eV: Ru(001) + 1 2 X 2 - X/Ru(001)0.8 0.9 0.10 Gajdošet al.O/Ru(001) 2.51 2.78 2.78 2.67N/Ru(001) 0.46 0.88 0.93 0.94H/Ru(001) 0.54 0.57 0.59NO - 1 2 N 2 - 1 2 O 2 0.96 0.95 0.96 0.95M. Gajdoš, J. Hafner <strong>and</strong> A. Eichler, J.Phys.: Condens. Matter 18(2006) 41-54

Page 5 and 6: More triviaGPAW used to be called G
Page 7 and 8: Homepage from 2004
Page 9 and 10: Testing GPAW’s PAW setupsChalleng
Page 11: AIMS reference energies
Page 15: Rock-salt compression energies rela
Page 18 and 19: Logarithmic derivatives at r=2.3 Bo
Page 21 and 22: The futureImportant work:New PAW se
Page 23: Finally ...Thank you for your atten

Short history of GPAW and latest news about PAW setups

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