[Wien] MSR1a X mini

Luis Ogando lcodacal at gmail.com
Thu Jan 28 14:32:44 CET 2016


Dear Wien2k community (and specially Prof. Marks),

   Is there any situation where the "old" "mini" may present a better
performance than "MSR1a" or this is an almost impossible situation ?
   I am working with III-V semiconductors and their heterostructures.
Sometimes I am trying to optimize the heterostructure fixing the atomic
positions in the "thick" layer using the correspondent optimized bulk
values. If I remember correctly, Prof. Marks has criticized this procedure.
Would this significantly affect the heterostructure optimization ?
   All the best,
                Luis
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