[Wien] how to set HDLO/LVNS value in batch mode

[Gavin Abo]

For LVNS, see section "5.1.3 Job control for initialization (init_lapw)" 
on page 63 in the WIEN2k 17.1 usersguide [ 
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf ].  
There it looks like you just need to add the '-lvns L' switch to your 
init_lapw command.

For example, if L = 4:

init_lapw -b -lvns 4

For HDLO, see the case.in1 description in section "7.5.3 Input" on page 
127 in the WIEN2k 17.1 usersguide.  It doesn't look like there is a 
batch mode option for that.  Though, if you know a scripting language, 
you could try writing your own scripting code for doing that.

On 6/18/2018 4:54 PM, Dr. K. C. Bhamu wrote:
> Dear Wien2k Users,
>
> For elements with high "Z", we frequently get below warnings:
>
> atom 1 has a large sphere , consider setting HDLOs and/or larger LVNS
>
> I am wondering if someone knows how to set these values in batch mode.
>
>
> Kind regards
> Bhamu
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