[Wien] Hello

[tran at theochem.tuwien.ac.at]

Your question is not very clear. What you have to do is just
1 iteration (-i 1) to generate case.r2v and case.vresp. Then,
when this single iteration is finished follow these steps
1) Save the calculation
2) Make the appropriate changes in case.in0 and case.in0_grr
3) Do the mBJ calculation with, e.g.,  run_lapw -ec 0.0001 -cc 0.0001 -NI

Usually, a mBJ calculation requires many more iterations than conventional
functionals to converge.

On Sat, 8 Feb 2014, moufdi hadjab wrote:

> 
> Mr. Moufdi HADJAB
> Applied Materials laboratory, departement of Electronic
> Universty Djillali Liabes of Sidi Bel Abbes, 22000 Algeria.
> Mob: +213 778307600
> (E-mail: moufdi84 at yahoo.fr).
> ------------------------------------------------------------------------------
> 
> Hello dears, I have a problem with mBJ approximation, exactelly in the step of: " run one more iteration (use run lapw -NI -i 1) to generate the required
> case.r2v and case.vresp files.", my question is, how many iterations can I start my cycles calculation. 
> Best regardless
>  
> 
> 
>