[Pw_forum] epsilon run

Paolo Giannozzi paolo.giannozzi at uniud.it
Thu May 8 12:55:59 CEST 2014


On Thu, 2014-05-08 at 10:14 +0800, H.Y Geoffrey Tse wrote:

> The scf calculation in prior to run was doing fine, 
> but somehow crashes when doing the eps run.

it doesn't crash "somehow": it crashes because it doesn't find
the data file. More exactly, the code doesn't seem to look for 
the correct file. I guess that this is related to the presence 
in your input of funny characters instead of plain ' ' quotes.

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