Dear Developers and Users, I got the following error when i was tried to run scf calcualtion using DFT+U method. When i set tstress=.true., this error is coming. but when set tstress=.false., scf or relax run is done perfectly also if tstress=.true, and lda_plus_u = .false., calculation is done with computing the stress. i have searched it at forum http://www.democritos.it/pipermail/pw_forum/2005-March/002272.html, where Dear Prof. Paolo has suggested many reasons to occurred this error but this error is something others which i am facing. i have seen the stress_hub.f90 at line 388, but not able to figure out the problem forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source pw.x 082C23EB dprojdepsilon_k_ 388 stres_hub.f90 pw.x 082BEEF2 stres_hub_ 196 stres_hub.f90 pw.x 08149122 stress_ 109 stress.f90 pw.x 0804B85B MAIN__ 132 pwscf.f90 pw.x 0804B5A4 Unknown Unknown Unknown libc.so.6 B68854D3 Unknown Unknown Unknown Please help me in this regards. thanks in advanced for your attention. -- Thanks and Regards Bramha Prasad Pandey Indian School of Mines(ISM) Dhanbad, INDIA. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121228/a150f5c3/attachment.html
