What is the default setting for SCF convergence in DFTB+? Is there a way to change this in the input file? Thank you. ~Mandelle Danser University of Notre Dame -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.dftb-plus.info/pipermail/dftb-plus-user/attachments/20091211/b2c8d40f/attachment.htm