[Wien] optimizing atomic positions

[Mohammed Abujafar]

Dear WIEN2k users,Hi,I have  optimized the atomic positions for the supercell with 54 atoms  following the procedure in the UG as follows:======================================
generate struct fileinit_lapwedit case.inm & put MSR1a 
run_lapw -fc 1 -min=======================================
After 111 iterations I got the following errors:
in cycle 111    ETEST: .0070979350000000   CTEST: .1447170
 LAPW0 END
 LAPW1 END
 LAPW2 END
 CORE  END
Mixer - Error. no feasible step small enough, check RMT and model

>   stop error

I have noticed a difference between the procedure in the UG(section 5.3.2) and the file in $WIEN-ROOT/SRC_mixer/README_5.2.pdf .
I have found later a new scheme in WIEN2k:
Geometry minimizer via MSR1a (run_lapw)

Which one do I have to follow? 
How to fix the error!Your help is highly appreciated.Thanks a lot in advance.With best regardsMohammed

 
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