See section "4.5.9 modified Becke-Johnson potential (mBJ) for band gaps"
in the WIEN2k 14.2 usersguide [
There it mentions that you need in case.in0_grr:
However, it looks like you probably get that error if you just put:
However, as it shows in the usersguide, it is best not to edit
case.in0_grr by hand for that; just use init_mbj_lapw to do that
On 8/1/2016 3:20 AM, GM RAI wrote:
when we give XC_MBJ in the file in0_grr to run mBJ the following error
lapw0 -grr is only for grr or screened exchange
> stop error
Dr. G. Murtaza
Centre for Advanced Studies in Physics, 1-Church road
G.C University, Lahore, Pakistan.
Office# +92(42)99210938, Ext. 120
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