[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/
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