A partitioned shift-without-invert algorithm to improve parallel eigensolution efficiency in real-space electronic transport
نویسندگان
چکیده
منابع مشابه
A partitioned shift-without-invert algorithm to improve parallel eigensolution efficiency in real-space electronic transport
We present an eigenspectrum partitioning scheme without inversion for the recently described real-space electronic transport code, TRANSEC. The primary advantage of TRANSEC is its highly parallel algorithm, which enables studying conductance in large systems. The present scheme adds a new source of parallelization, significantly enhancing TRANSEC’s parallel scalability, especially for systems w...
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ژورنال
عنوان ژورنال: Computer Physics Communications
سال: 2016
ISSN: 0010-4655
DOI: 10.1016/j.cpc.2016.05.015