Short history of GPAW and latest news about PAW setups

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StrategyOptimize volume for fcc and rock-salt (oxygen + X) for allelements (from hydrogen to nobelium) using AIMS and ELK.Do non-relativistic calculations.Compress fcc and rock-salt structures to 90 % of equilibriumlattice constants.Use oxide formation energies and fcc and rock-salt compressionenergies as benchmark numbers.Simple tests make iterations faster.NoteThis kind of work is extremely boring

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AIMS reference energies

Page 5 and 6: More triviaGPAW used to be called G
Page 7 and 8: Homepage from 2004
Page 9: Testing GPAW’s PAW setupsChalleng
Page 13 and 14: Ruthenium exampleAdsorption energie
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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