Evolutionary optimization of PAW data-sets for accurate...

Evolutionary optimization of PAW data-sets for accurate high pressure simulations

Sarkar, Kanchan, Topsakal, Mehmet, Holzwarth, N.A.W., Wentzcovitch, Renata M.
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Volume:
347
Language:
english
Journal:
Journal of Computational Physics
DOI:
10.1016/j.jcp.2017.06.032
Date:
October, 2017
File:
PDF, 1.49 MB
english, 2017
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