[Pw_forum] Relax calculation in quantum espresso with 56 atoms had not been converged

Lorenzo Paulatto paulatto at sissa.it
Wed Aug 19 11:20:35 CEST 2009


In data 19 agosto 2009 alle ore 11:13:28, Shaptrishi Sharma  
<sh.shapt at gmail.com> ha scritto:
> even a CRASH file. So any body can suggest me what the possible reason?

Dear Shaptrishi,
you need to provide more detail if you want a meaningful answer. At least  
the last 500 lines of job's output.

best regards



-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

     *** save italian brains ***
  http://saveitalianbrains.wordpress.com/



More information about the users mailing list