[Wien] error in mBJ

mitra narimani m.narimani84 at gmail.com
Mon Sep 10 14:59:56 CEST 2018


Thank you for your response. But I have some questions? you say that the
mBJ is not technologically appropriate for monolayers or nanolayers with
vacuum. Are the results of mBJ for these cases unreliable? If we remove
case.in0_grr and correct the value in case.grr, are the results unreliable
again?And if your response is positive so what is the appropriate exchange
correlation potential for these cases?
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