[Wien] run SCF command to include SO in mBJ

[tran at theochem.tuwien.ac.at]

It's ok, no other changes.

On Fri, 22 Nov 2013, saurabh samant wrote:

> Dear Tran Sir,
> 
> Plz also confirm that while doing the single iteration to generate .r2v &
> .vresp files during initialization of mbj with SO the command should be
> runsp_lapw -so -NI -i 1. Also plz clarify if some other changes are needed
> during initialisation and running of mBJ with SO.
> 
> Thanking you,
> Yours sincerely
> Saurabh Samant
> 
> 
> On Fri, Nov 22, 2013 at 12:26 PM, <tran at theochem.tuwien.ac.at> wrote:
>       yes
>
>       On Fri, 22 Nov 2013, saurabh samant wrote:
>
>             Dear WIEN2k authors & users,
>
>             I am doing spin-polarized GGA+SO+mbj calculations.
>             After running GGA, initializing and running SO, I
>             initialized mBJ, run the single iteration, saved
>             lapw,
>             initialized mBJ again, changed the mixing scheme. At
>             the end, to include SO in mBJ, should the command to
>             run mBJ SCF calculation is runsp_lapw -so. Plz
>             confirm
>             it.
>
>             Thanking you,
>             Yours sincerely,
>             Saurabh Samant
> 
> 
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> 
>