[Pw_forum] B3LYP: two conflicting matching values

[Carlo Nervi]

I apologize to everybody...
it seems that it was a my mistake. I used again ld1.x and the errors 
does not pop up any more.... Very probably i was mixing different ld1.x 
compiled versions...
Sorry,
	Carlo

Lorenzo Paulatto ha scritto:
> On Fri, 26 Mar 2010 12:07:15 +0100, Carlo Nervi <carlo.nervi at unito.it>  
> wrote:
>> P.S.: the same happens using the atomic_doc/paw_library/input/C.in by
>> Lorenzo Paulatto if you modift dft='PBE' into dft='b3lyp'.
> 
> PAW does not support BLYP nor exact exchange (yet?) so don't waste your  
> time on that.
> 
> Unluckily, I have no clue about your primary question.
> 
> regards
> 


-- 
------------------------------------------------------
Carlo Nervi carlo.nervi at unito.it Tel:+39 011 6707507/8
Fax: +39 011 6707855   -   Dipartimento di Chimica IFM
via P. Giuria 7, 10125 Torino, Italy
http://lem.ch.unito.it/