Dear users,
I tried to produce an optical absorption plot, by means of running a simulation on epsilon.x The scf calculation in prior to run was doing fine, but somehow crashes when doing the eps run. I removed the dump files due to its large size. We already tried the following, 1) nosym=.true. 2) using same no. of processors as in scf 3) set the k-points manually, setting each with the weight of = 1 Still there seems to be no luck. The QE version I am using is 5.0, running on 4 cores. Could you look into and thus shed some light on this? Much appreciated if you could do so. Yours Sincerely, Geoffrey +--------------------------------------------------------------------------- -- H.Y Geoffrey Tse, Postdoctoral, Room N202, Physics Building Peking University Haidian District Beijing 100871 P.R China Tel: (+86) 18811792348 Email: geoffrey.tse at pku.edu.cn +--------------------------------------------------------------------------- -- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140508/50029414/attachment.html -------------- next part -------------- A non-text attachment was scrubbed... Name: ZnO_epsilonx_test_run.rar Type: application/octet-stream Size: 10635 bytes Desc: not available Url : http://pwscf.org/pipermail/pw_forum/attachments/20140508/50029414/attachment.obj
