[CPMD-list] Crash when trying HF exchange

[Christian Tuma]

No, B3LYP was intended, BLYP is not a hybrid functional.
The keyword B3LYP (see source code) was properly recognised by CPMD.

Christian.

On Wed, Feb 04, 2004 at 11:38:30PM +0900, Jiten wrote:
> It should be BLYP not B3LYP
> 
> I hope it helps,
> 
> Jiten

-- 
Christian Tuma             Humboldt-Universitaet Berlin
ct at chemie.hu-berlin.de     Arbeitsgruppe Quantenchemie (Prof. Sauer)
phone: +49-30-20937140     Brook-Taylor-Str. 2, 12489 Berlin, GERMANY
fax:   +49-30-20937136     http://www.chemie.hu-berlin.de/ag_sauer