UT theoretical chemistry code forum

Hi, I've been encountering that same error message. According to the VASP forum, it is due to a failure of the algorithm you are using, e.g. IALGO=48. If you are curious, take some time to read these remarks: http://cms.mpi.univie.ac.at/vasp-forum/forum_viewtopic.php?3.214 Regards, C. [quote="z...