K-space Parallelization of Wien97
نویسنده
چکیده
WIEN97 is a program package to calculate the electronic structure of solids. The calculations are based on Density Functional Theory. A coarse grain parallelization of the code based on distributing k-points onto diierent processors is not only relatively simple to implement but also very eecient, especially in metals, where a large number of k-points must be calculated. After the development of a running parallel version, care was taken to implement features to ensure workload-balancing for a cluster of heterogeneous workstations.
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تاریخ انتشار 1997