Re: [Wien] Help to run mBJ

2016-08-01 Thread Gavin Abo
See section "4.5.9 modified Becke-Johnson potential (mBJ) for band gaps" in the WIEN2k 14.2 usersguide [ http://www.wien2k.at/reg_user/textbooks/usersguide.pdf ]. There it mentions that you need in case.in0_grr: EX_GRR VX_GRR However, it looks like you probably get that error if you just put:

Re: [Wien] error in x wplot

2016-08-01 Thread Elias Assmann
On 08/01/2016 12:34 PM, Ravi Kashikar wrote: > Hi Elias > > Now I Have tried with w90chk2chk.x utility, its creating case.chk.fmt. > error is repeating. After x Wannier90 execution. I used *w90chk2chk.x*, > then *write_inwplot* and *x wplot -wf 1*. which is printing the error, as w90chk2chk.x is

[Wien] Help to run mBJ

2016-08-01 Thread GM RAI
when we give XC_MBJ in the file in0_grr to run mBJ the following error occur, lapw0 -grr is only for grr or screened exchange > stop error Regards -- Dr. G. Murtaza Assistant Professor Centre for Advanced Studies in Physics, 1-Church road G.C University, Lahore, Pakistan. Mobile# +92-321426353