[Pw_forum] Can not restart a pbe0 calculation

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Dec 4 16:22:29 CET 2013


On Wed, 2013-12-04 at 14:40 +0000, Lesheng Li wrote:

> I am now trying to run a pbe0 calculation with espresso, 
> but when I restart the calculation, it seems just calculate 
> from the beginning. 

it's a known limitation of v.5.0.2. It has already been
fixed (I hope) in the development version

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




More information about the users mailing list