Dear Wien2k users, I would like to ask you to share your opinion about relevance of mBJ potential used in study of semiconductor/metal heterostructures. The question would be -- How should be fixed value of the "c" parameter?
In case of a supercell (.../SC/M/...) approach (no vacuum) should one consider a bulk semiconductor value for the "c"? What consider for the "c" in case of a slab ( .../SC/M/vacuum/...)? Best regards, Martin Gmitra Uni Regensburg _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
