[Wien] HDLO and LVNS
Gavin Abo
gsabo at crimson.ua.edu
Sun Nov 12 19:57:04 CET 2017
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;
> ForLVNS 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20171112/35cb88cd/attachment.html>
More information about the Wien
mailing list