[Wien] HDLO and LVNS

[delamora]

Thank you, but I think that the usersguide should have a minimal explanation, for example, the two lines that you wrote.


________________________________
De: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Gavin Abo <gsabo at crimson.ua.edu>
Enviado: domingo, 12 de noviembre de 2017 12:57 p. m.
Para: wien at zeus.theochem.tuwien.ac.at
Asunto: Re: [Wien] HDLO and LVNS


I believe HD stands for high derivative.  See where it says high derivative LO (HDLO) in the Computer Physics Communications Vol. 220 p. 230 (2017) article:

https://doi.org/10.1016/j.cpc.2017.07.008

On 11/12/2017 8:22 AM, delamora wrote:
Dear Peter Blaha,
In the 17.1 version the HDLO and LVNS appear;
        atom 1 has a large sphere , consider setting HDLOs and/or larger LVNS
I searched in the usersguide and I did not find much information;
For LVNS there is no explanation, all I found is in 5.1.3;
            -lvns L -> in batch mode: LVNS_max (default: 4)
and for HDLO it is not clear what 'HD' stand for

Cheers

Pablo de la Mora

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