Abstract
With an interest for quantum-size effects in low dimensional Si crystal, We have calculated the electronic states of Si thin slabs with (111) surface by the pseudopotential method using the parallel processor FUJITSU AP1000. The transition type was indirect one for calculated 2- to 16-layer slabs. Performance of the parallel processing was better for thicker slabs: speed-up ratio of 13 and 22 for 6- and 16-layer slabs, respectively, at the number of two-dimensional processor elements 6 × 36. A saturation tendency in the performance with number of processor elements was observed and its cause was attributed not to the communication time between processor elements but to the unparallelized part of the computer program.
Published Version
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