On Oct 16, 2010, at 8:56 , Madan Mithra. L. M wrote: > I have found that removing 'ecutrho' from the input file makes the > job to run.
thank you for the info. I don't think however that removing ecutrho as ONLY change can make your job run. In your job, ecutrho=4*ecutwfc. This is correct and is the default, so if you remove it, nothing should change. I have noticed is that your job uses many bands (approx. two times more than actually needed) a large cutoff and a large number of k-points. Since in exact-exchange calculations all wavefunctions are stored into memory, you may easily exceed thr available memory limits Paolo --- Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
