Dear wien2k community,
I encountered strange and unexpected problem.
If I try to use init_lapw -nodstart with mBJ calculations, the results are
quite strange.
On bilk Si, init_lapw -prec 1n and converge mBJ in Koller paramerization, the
gap is 1.151 eV.
Next, init_lapw -prec 2n -nokshift -nodstart and run_lapw gives 0.599 eV.
If I init_lapw -prec 2n -nokshift from scratch and converge mBJ in Koller
parametrization, I got 1.150 eV
Similar problem with similar numbers is with -prec 3n.
Is there some limitation in using -nodstart not mentioned in UG (e.g.
incompatibility with mGGA) or I am doing something wrong?
WIEN2k version is 23.2.
Thank you in advance.
Sincerely yours,
Mikhail Nestoklon
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