Dear Paresh, can you send me the exact pseudopotentials you used? My email is filippo.spiga at quantum-espresso.org
Thanks F On Sep 27, 2014, at 6:02 PM, paresh rout <paresh.rout88 at gmail.com> wrote: > I am getting a strange error while performing scf calculation using two > different Hubbard U values for my system. When I use U=3.5 eV job runs fine > but for U=7.4 the job stops after some iterations(very close to > convergence). I tried a lot to overcome this problem but unable to sort out > by myself. Any help would be highly appreciated. I attach the Input , output > and the error file below . -- Mr. Filippo SPIGA, M.Sc. http://filippospiga.info ~ skype: filippo.spiga ?Nobody will drive us out of Cantor's paradise.? ~ David Hilbert ***** Disclaimer: "Please note this message and any attachments are CONFIDENTIAL and may be privileged or otherwise protected from disclosure. The contents are not to be disclosed to anyone other than the addressee. Unauthorized recipients are requested to preserve this confidentiality and to advise the sender immediately of any error in transmission."
