[Wien] restarting the TB-mBJ with a bigger mixing to speed up calculations

[Fabiana Da Pieve]

Dear Wien2k developers

I have a very simple technical question on TB-mBJ calculations. I
cannot allow myself to make any error as my contract runs only until
the end of the month.

I am running TB-mBJ calculations to be compared with GW. Doing "grep
GAP *scf* " inside my TB-mBJ directory, I see that the calculation is
proceeding well, the band gap is increasing, pretty going towards
convergence and pretty going towards the GW result ;
The command I am using for running such calculation is:
run_lapw -p -I -cc 0.001 -ec 0.0001 -it -i 100

I have always obtained good results with such convergence criteria
compared to experiments and to predictions from other (non
all-electron) codes using PAW.

however, if I do " grep :ENE *scf* "  in such TB-mBJ directory, the
total energy does not really seems to go towards convergence, or
anyway it is too slow for the remaining time I have (but the energy
does NOT oscillate, or diverge, which is good).