[Pw_forum] R: Re: Error in routine calbec

Paolo Giannozzi paolo.giannozzi at uniud.it
Tue Nov 4 15:47:42 CET 2014


On Tue, 2014-11-04 at 12:18 +0000, Carlo Motta wrote:

> However, it seems that if I want to do calculations with Pb, 
> I am forced to set
>   lspinorb  = .true.,
>   noncolin  = .true.,
> otherwise I get errors.

?

-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




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