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Metals: Automatic k -point generation for a 60% speed-up of total energy calculations
Metals: Automatic k -point generation for a 60% speed-up of total energy calculations
2019
Gus L. W. Hart
Wiley S. Morgan
Jeremy J. Jorgensen
Rodney W. Forcade
Keywords:
Computational physics
Speedup
Physics
total energy
Correction
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