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Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding
Keçeli, Murat, Zhang, Hong, Zapol, Peter, Dixon, David A., Wagner, Albert F.Volume:
37
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.24254
Date:
February, 2016
File:
PDF, 987 KB
english, 2016